Tutorial: Single chromosome optimization using OpenMiChroM¶
This tutorial performs optimization in the MiChroM Parameters (Second-order optimization -> Hessian inversion)¶
The first step is to import the OpenMiChroM modules.
To install OpenMM and OpenMiChroM, follow the instalation guide.
The inputs and apps used in this tutorial can be downloaded here.
Types optimization is available in the OpenMichroM versions >= 1.0.7.
[1]:
# OpenMiChroM simulation module
from OpenMiChroM.ChromDynamics import MiChroM
# Optimization of MiChroM parameters module
from OpenMiChroM.Optimization import CustomMiChroMTraining
# Analysis tools module
from OpenMiChroM.CndbTools import cndbTools
# Extra modules to load and plot .dense file
import matplotlib.pyplot as plt
import matplotlib as mpl
from sklearn.preprocessing import normalize
import numpy as np
import pandas as pd
import h5py
from scipy.optimize import curve_fit
The second step is to have a look on the experimental Hi-C
A Hi-C file is required for the analysis and training of the MiChroM Potentials (Types and Ideal Chromosome). The file format chosen here is a matrix .txt file (we call it the dense file).
For this tutorial, we will use chromosome 10 from GM12878 in 100 kb resolution. To extract it from the .hic file, we can use juicer_tools with the folowing command. Please note that the juicer_tools java file is located at the apps folder located at the $HOME directory.
[2]:
%%bash
java -jar ~/apps/juicer_tools_1.22.01.jar dump observed Balanced -d https://hicfiles.s3.amazonaws.com/hiseq/gm12878/in-situ/combined.hic 10 10 BP 100000 input/chr10_100k.dense
WARNING: sun.reflect.Reflection.getCallerClass is not supported. This will impact performance.
WARN [2023-04-13T15:13:03,709] [Globals.java:138] [main] Development mode is enabled
INFO [2023-04-13T15:13:04,138] [DirectoryManager.java:179] [main] IGV Directory: /Users/ro21/igv
INFO [2023-04-13T15:13:04,317] [HttpUtils.java:937] [main] Range-byte request succeeded
This command downloads the .hic from the web and extracts the chromosome 10 in .dense format to the folder “input”.
You can get more information about it at the JuicerTools documentation.
Visualize the .dense file.
[3]:
filename = 'input/chr10_100k.dense'
hic_file = np.loadtxt(filename)
r=np.triu(hic_file, k=1)
r[np.isnan(r)]= 0.0
r = normalize(r, axis=1, norm='max')
rd = np.transpose(r)
r=r+rd + np.diag(np.ones(len(r)))
print("number of beads: ", len(r))
plt.matshow(r,norm=mpl.colors.LogNorm(vmin=0.0001, vmax=r.max()),cmap="Reds")
plt.colorbar()
number of beads: 1356
[3]:
<matplotlib.colorbar.Colorbar at 0x7faf98d94f70>
This Hi-C map has a resolution of 100 kb per bead, so the chromosome 10 model has a polymer chain with a total of 1356 beads.
The next step is to extract the sequence file containing the A/B compartments along the sequence by using the eigenvector decomposition.
Using the juicertools, you can extract the eigenvector file. The eigenvector has values both negatives and positives and here we will arbitrary set positives as B and negatives as A.
For more details about how it works, please take a look on this paper: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.1c04174
[4]:
%%bash
java -jar ~/apps/juicer_tools_1.22.01.jar eigenvector -p Balanced https://hicfiles.s3.amazonaws.com/hiseq/gm12878/in-situ/combined.hic 10 BP 100000 input/chr10_100k.eigen
WARNING: sun.reflect.Reflection.getCallerClass is not supported. This will impact performance.
WARN [2023-04-13T15:13:12,055] [Globals.java:138] [main] Development mode is enabled
INFO [2023-04-13T15:13:12,506] [DirectoryManager.java:179] [main] IGV Directory: /Users/ro21/igv
INFO [2023-04-13T15:13:12,700] [HttpUtils.java:937] [main] Range-byte request succeeded
And visualize the .eigen file.
[5]:
eigen = np.loadtxt("input/chr10_100k.eigen")
index = np.arange(eigen.size)
df = pd.Series(eigen, index=index)
A1_df = pd.Series(np.zeros(eigen.size), index=index)
A1_df[df < 0] = df[df < 0]
B1_df = pd.Series(np.zeros(eigen.size), index=index)
B1_df[df > 0] = df[df > 0]
NA_df = df.isna()
# y = sc.signal.savgol_filter(A1,20, 2)
fig, axes = plt.subplots(ncols=1, nrows=2,
figsize=(6.4*3/2, 4.8*2/3),
gridspec_kw={'height_ratios': [1, 10]})
fig.tight_layout()
fig.subplots_adjust(hspace=0.05) # top=0.92, bottom=0.01, wspace=0.)
# sequence
A11_df = A1_df.copy()
A11_df[A1_df<0] = 1
B11_df = B1_df.copy()
B11_df[B1_df>0] = 1
axes[0].axis('off')
width=1
axes[0].bar(A11_df.index, A11_df,
width,
color="tab:red")
axes[0].bar(B11_df.index, B11_df,
width,
color="tab:blue")
axes[0].set_xlim([-50,eigen.size + 50])
# Eigen PC1
step=1
axes[1].fill_between(A1_df.index[::step], A1_df[::step], 0,
facecolor="tab:red",
alpha=0.8,
label="A")
axes[1].fill_between(B1_df.index[::step], B1_df[::step], 0,
facecolor="tab:blue",
alpha=0.8,
label="B")
axes[1].set_ylim([-0.05,0.05])
axes[1].set_xlim([-50,eigen.size + 50])
axes[1].set_ylabel('Eigen values, PC1')
axes[1].set_xlabel('Genomic distance (50 kb)')
axes[1].legend(title='compartments', bbox_to_anchor=(1.,1.45),
frameon=False)
print("Number of beads: A1 = ", A1_df[A1_df<0].shape[0],
", B1 = ", B1_df[B1_df>0].shape[0])
Number of beads: A1 = 618 , B1 = 707
From the .eigen, file we can create the A/B sequence file.
[6]:
%%bash
awk '{if ($1 < 0) print "A1"; else print "B1"}' input/chr10_100k.eigen | cat -n > input/seq_chr10_100k.txt
echo "Number of beads: "
awk '{print $2}' input/seq_chr10_100k.txt | sort | uniq -c
Number of beads:
618 A1
738 B1
1# Types Interaction Opmization¶
In addition to the homopolimer term, MiChroM energy function has two main terms: the type-to-type and Ideal Chromosome interactions.
\({ U }_{\text{MiChroM} }(\vec { r } )={ U }_{ HP }\left( \vec { r } \right) +\sum _{\tiny{ \begin{matrix} k\ge l \\ k,l \in \text{Types} \end{matrix} } }{ { \alpha }_{ kl } } \sum _{\tiny{ \begin{matrix} i \in \{ \text{Loci of Type k}\} \\ j \in \{ \text{Loci of Type l} \} \end{matrix} }} f({ r }_{ ij }) + \sum _{ d=3 }^{ { d }_{ cutoff } }{ \gamma (d)\sum _{ i }{ f({ r }_{ i,i+d }) } }\)
In this section, the types interaction terms will be minimized.
The pipeline to perform the Types Potential Optimization is the following:
Run a long simulation using the homopolymer + customTypes potential of the
OpenMiChroMmodule. The first iteration can start with all parameters equal to zero or set to an initial guess.Get the frames from this simualtion to perform the inversion for Types.
In the end of the inversion, new values to types interactions will be produced.
Calcule the error/tolerance between the simulated and experimental parameters. If it is above the treshold, re-do steps 1-3 until reaching the treshold (usually 10% or 15% is enougth).
The Types file is a .txt with a matrix labeled with the values for each interaction. In this tutorial, we are training A and B types.
Lets create the initial file with this format:
A,B
0,0
0,0
For this matrix, we have AA AB BA BB interactions.
Save it as lambda_0
[7]:
%%bash
echo "A1,B1
0,0
0,0" > input/lambda_0
cat input/lambda_0
A1,B1
0,0
0,0
With all the required inputs, lets perform a simulation for iteration 0.
In MiChroM initiation there are some variables to setup:
time_step=0.01 (the time step using for integration, default is 0.01) temperature=1 (Set the temperature of your simulation) name=‘opt_chr10_100K’ (the simulation name)
[8]:
simulation = MiChroM(name='opt_chr10_100K', temperature=1.0, time_step=0.01)
***************************************************************************************
**** **** *** *** *** *** *** *** OpenMiChroM-1.0.6 *** *** *** *** *** *** **** ****
OpenMiChroM is a Python library for performing chromatin dynamics simulations.
OpenMiChroM uses the OpenMM Python API,
employing the MiChroM (Minimal Chromatin Model) energy function.
The chromatin dynamics simulations generate an ensemble of 3D chromosomal structures
that are consistent with experimental Hi-C maps, also allows simulations of a single
or multiple chromosome chain using High-Performance Computing
in different platforms (GPUs and CPUs).
OpenMiChroM documentation is available at https://open-michrom.readthedocs.io
OpenMiChroM is described in: Oliveira Junior, A. B & Contessoto, V, G et. al.
A Scalable Computational Approach for Simulating Complexes of Multiple Chromosomes.
Journal of Molecular Biology. doi:10.1016/j.jmb.2020.10.034.
and
Oliveira Junior, A. B. et al.
Chromosome Modeling on Downsampled Hi-C Maps Enhances the Compartmentalization Signal.
J. Phys. Chem. B, doi:10.1021/acs.jpcb.1c04174.
Copyright (c) 2022, The OpenMiChroM development team at
Rice University
***************************************************************************************
Now you need to setup the platform that you will use, the options are:
platform=“OpenCL” (it can also be CUDA or CPU depending of your system) GPU=“0” (optional) (if you have more than one GPU device, you can set the GPUs that you want [“0”, “1”,…,“n”])
[9]:
simulation.setup(platform="OpenCL")
Set the folder name where the output will be saved.
[10]:
simulation.saveFolder('iteration_0')
The next step is to setup your chromosome sequence and initial configuration.
[11]:
mychro = simulation.createSpringSpiral(ChromSeq="input/seq_chr10_100k.txt")
Load the initial structure in the simulation object.
[12]:
simulation.loadStructure(mychro, center=True)
Now it is time to include the force field in the simulation object
Lets separate forces in two sets:
Homopolymer Potentials
[13]:
simulation.addFENEBonds(kfb=30.0)
simulation.addAngles(ka=2.0)
simulation.addRepulsiveSoftCore(Ecut=4.0)
Chromosome Potentials
In this tutorial, it is used the CustomTypes potential. Here we need to pass a file that contains a matrix of interactions for each other different type of chromosome. To check that, you can look on the OpenMiChroM documentation.
[14]:
simulation.addCustomTypes(mu=3.22, rc = 1.78, TypesTable='input/lambda_0')
Note: these valeus for \(\mu\) and \(r_c\) were calculated for human GM12878 cells and can be changed for other species.
The last potential to be added is the spherical restraint in order to collapse the initial structure.
[15]:
simulation.addFlatBottomHarmonic(kr=5*10**-3, n_rad=8.0)
Now we will run a short simulation in order to get a collapsed structure.
There are two variables that control the chromosomes simulation steps:
block: The number of steps performed in each cycle. n_blocks: The number of blocks that will be perfomed.
In this example, to perfom the collapsing we will run \(1\times10^3 \times 10^2 = 1\times10^5\) steps
[16]:
block = 1000
n_blocks = 100
We can save the radius of gyration of each block to observe the convergence into the collapsed state (the time required here depends on the size of your chromosome).
[17]:
rg = []
[18]:
for _ in range(n_blocks):
simulation.runSimBlock(block, increment=False)
rg.append(simulation.chromRG())
#save a collapsed structure in pdb format for inspection
simulation.saveStructure(mode = 'pdb')
Number of exceptions: 1355
adding force FENEBond 0
adding force AngleForce 1
Add exclusions for RepulsiveSoftCore force
adding force RepulsiveSoftCore 2
Add exclusions for CustomTypes force
adding force CustomTypes 3
adding force FlatBottomHarmonic 4
Positions...
loaded!
potential energy is 31.227323
bl=0 pos[1]=[101.4 -2.1 2.0] dr=2.84 t=10.0ps kin=1.68 pot=31.18 Rg=71.741 SPS=1209
bl=0 pos[1]=[98.5 -0.0 3.6] dr=3.78 t=20.0ps kin=1.95 pot=30.47 Rg=68.734 SPS=1252
bl=0 pos[1]=[94.8 -1.2 3.8] dr=3.74 t=30.0ps kin=1.88 pot=29.64 Rg=65.548 SPS=1698
bl=0 pos[1]=[90.0 -2.1 4.4] dr=3.45 t=40.0ps kin=1.84 pot=28.88 Rg=62.658 SPS=1675
bl=0 pos[1]=[86.7 -1.7 3.7] dr=3.44 t=50.0ps kin=1.83 pot=28.18 Rg=59.790 SPS=1682
bl=0 pos[1]=[83.5 -2.2 6.8] dr=3.25 t=60.0ps kin=1.79 pot=27.55 Rg=57.157 SPS=1473
bl=0 pos[1]=[77.4 -0.0 4.4] dr=3.13 t=70.0ps kin=1.75 pot=26.99 Rg=54.657 SPS=1685
bl=0 pos[1]=[75.3 0.4 4.1] dr=3.09 t=80.0ps kin=1.78 pot=26.45 Rg=52.247 SPS=1684
bl=0 pos[1]=[72.7 1.4 3.7] dr=3.01 t=90.0ps kin=1.74 pot=25.92 Rg=49.957 SPS=1700
bl=0 pos[1]=[69.7 2.0 6.3] dr=2.94 t=100.0ps kin=1.78 pot=25.51 Rg=47.788 SPS=1438
bl=0 pos[1]=[64.5 1.8 6.4] dr=2.90 t=110.0ps kin=1.75 pot=25.10 Rg=45.716 SPS=1544
bl=0 pos[1]=[59.0 1.3 5.4] dr=2.72 t=120.0ps kin=1.67 pot=24.80 Rg=43.759 SPS=1708
bl=0 pos[1]=[54.8 3.9 5.0] dr=2.62 t=130.0ps kin=1.70 pot=24.44 Rg=42.002 SPS=1690
bl=0 pos[1]=[54.9 3.5 5.1] dr=2.53 t=140.0ps kin=1.61 pot=24.16 Rg=40.322 SPS=1637
bl=0 pos[1]=[54.6 5.0 2.3] dr=2.49 t=150.0ps kin=1.60 pot=23.94 Rg=38.814 SPS=1699
bl=0 pos[1]=[49.7 6.7 2.2] dr=2.54 t=160.0ps kin=1.63 pot=23.64 Rg=37.216 SPS=1431
bl=0 pos[1]=[45.9 4.1 4.1] dr=2.50 t=170.0ps kin=1.56 pot=23.38 Rg=35.626 SPS=1684
bl=0 pos[1]=[41.6 4.9 3.5] dr=2.53 t=180.0ps kin=1.63 pot=23.25 Rg=34.052 SPS=1702
bl=0 pos[1]=[40.0 3.7 3.7] dr=2.38 t=190.0ps kin=1.60 pot=23.10 Rg=32.670 SPS=1691
bl=0 pos[1]=[39.0 3.7 1.7] dr=2.35 t=200.0ps kin=1.57 pot=22.92 Rg=31.381 SPS=1312
bl=0 pos[1]=[39.1 5.6 2.3] dr=2.38 t=210.0ps kin=1.63 pot=22.76 Rg=30.199 SPS=1283
bl=0 pos[1]=[40.2 5.3 2.1] dr=2.30 t=220.0ps kin=1.60 pot=22.64 Rg=29.009 SPS=1226
bl=0 pos[1]=[39.3 3.0 1.7] dr=2.23 t=230.0ps kin=1.52 pot=22.59 Rg=27.927 SPS=1074
bl=0 pos[1]=[37.1 2.8 1.9] dr=2.24 t=240.0ps kin=1.55 pot=22.46 Rg=26.921 SPS=1379
bl=0 pos[1]=[33.9 5.5 4.1] dr=2.23 t=250.0ps kin=1.59 pot=22.34 Rg=25.910 SPS=1290
bl=0 pos[1]=[31.5 4.7 3.5] dr=2.16 t=260.0ps kin=1.60 pot=22.30 Rg=24.994 SPS=1265
bl=0 pos[1]=[30.2 4.1 2.2] dr=2.15 t=270.0ps kin=1.48 pot=22.22 Rg=24.273 SPS=1643
bl=0 pos[1]=[29.0 3.8 2.2] dr=2.05 t=280.0ps kin=1.49 pot=22.16 Rg=23.525 SPS=1218
bl=0 pos[1]=[26.8 4.7 2.0] dr=2.08 t=290.0ps kin=1.53 pot=22.07 Rg=22.795 SPS=1555
bl=0 pos[1]=[24.1 5.1 1.6] dr=2.09 t=300.0ps kin=1.49 pot=22.06 Rg=22.079 SPS=1181
bl=0 pos[1]=[23.0 6.4 7.0] dr=2.12 t=310.0ps kin=1.57 pot=22.03 Rg=21.363 SPS=1603
bl=0 pos[1]=[25.2 1.9 8.7] dr=2.01 t=320.0ps kin=1.60 pot=22.00 Rg=20.702 SPS=1319
bl=0 pos[1]=[20.6 0.8 9.0] dr=2.06 t=330.0ps kin=1.56 pot=21.93 Rg=20.009 SPS=1332
bl=0 pos[1]=[20.0 1.2 8.8] dr=2.00 t=340.0ps kin=1.47 pot=21.91 Rg=19.376 SPS=1629
bl=0 pos[1]=[17.6 -0.1 10.5] dr=1.92 t=350.0ps kin=1.46 pot=21.83 Rg=18.844 SPS=1572
bl=0 pos[1]=[19.4 0.0 10.7] dr=1.93 t=360.0ps kin=1.50 pot=21.85 Rg=18.430 SPS=1593
bl=0 pos[1]=[22.7 -2.1 7.7] dr=1.92 t=370.0ps kin=1.52 pot=21.78 Rg=18.009 SPS=1644
bl=0 pos[1]=[22.5 -2.3 5.5] dr=1.98 t=380.0ps kin=1.50 pot=21.83 Rg=17.549 SPS=1610
bl=0 pos[1]=[21.5 -3.5 5.5] dr=1.96 t=390.0ps kin=1.52 pot=21.77 Rg=17.119 SPS=1609
bl=0 pos[1]=[20.3 -3.0 7.7] dr=2.02 t=400.0ps kin=1.47 pot=21.77 Rg=16.819 SPS=1494
bl=0 pos[1]=[20.1 -4.0 6.8] dr=2.00 t=410.0ps kin=1.51 pot=21.72 Rg=16.512 SPS=1210
bl=0 pos[1]=[19.2 -3.0 6.6] dr=1.92 t=420.0ps kin=1.47 pot=21.75 Rg=16.152 SPS=1369
bl=0 pos[1]=[20.2 -3.8 4.5] dr=2.00 t=430.0ps kin=1.56 pot=21.69 Rg=15.800 SPS=1588
bl=0 pos[1]=[18.8 -3.0 4.7] dr=1.93 t=440.0ps kin=1.45 pot=21.74 Rg=15.644 SPS=1586
bl=0 pos[1]=[17.6 -2.5 3.2] dr=1.92 t=450.0ps kin=1.48 pot=21.70 Rg=15.438 SPS=1590
bl=0 pos[1]=[16.8 -1.4 2.2] dr=1.95 t=460.0ps kin=1.53 pot=21.63 Rg=15.077 SPS=1595
bl=0 pos[1]=[14.7 -0.1 2.7] dr=1.96 t=470.0ps kin=1.43 pot=21.69 Rg=14.806 SPS=1576
bl=0 pos[1]=[14.4 -2.4 3.4] dr=1.86 t=480.0ps kin=1.53 pot=21.62 Rg=14.598 SPS=1462
bl=0 pos[1]=[14.4 -3.0 2.4] dr=1.92 t=490.0ps kin=1.50 pot=21.65 Rg=14.375 SPS=1577
bl=0 pos[1]=[13.1 -1.9 0.3] dr=1.95 t=500.0ps kin=1.51 pot=21.64 Rg=14.114 SPS=1597
bl=0 pos[1]=[13.0 1.6 0.9] dr=1.89 t=510.0ps kin=1.52 pot=21.63 Rg=13.846 SPS=1242
bl=0 pos[1]=[14.2 -0.2 1.1] dr=2.00 t=520.0ps kin=1.50 pot=21.62 Rg=13.580 SPS=1575
bl=0 pos[1]=[15.4 -1.7 3.5] dr=1.86 t=530.0ps kin=1.48 pot=21.59 Rg=13.389 SPS=1589
bl=0 pos[1]=[15.6 -0.3 0.2] dr=1.90 t=540.0ps kin=1.49 pot=21.59 Rg=13.216 SPS=1311
bl=0 pos[1]=[15.4 1.1 0.4] dr=1.92 t=550.0ps kin=1.48 pot=21.61 Rg=12.968 SPS=1230
bl=0 pos[1]=[14.1 0.7 -1.1] dr=1.91 t=560.0ps kin=1.51 pot=21.58 Rg=12.750 SPS=1550
bl=0 pos[1]=[14.7 0.6 -2.2] dr=1.89 t=570.0ps kin=1.49 pot=21.62 Rg=12.571 SPS=1428
bl=0 pos[1]=[11.5 1.2 -0.2] dr=1.86 t=580.0ps kin=1.48 pot=21.63 Rg=12.367 SPS=1548
bl=0 pos[1]=[12.0 -4.4 -0.8] dr=1.86 t=590.0ps kin=1.47 pot=21.66 Rg=12.158 SPS=1405
bl=0 pos[1]=[11.0 -4.1 -0.4] dr=1.87 t=600.0ps kin=1.56 pot=21.59 Rg=12.011 SPS=1666
bl=0 pos[1]=[9.5 -5.7 0.4] dr=1.88 t=610.0ps kin=1.46 pot=21.64 Rg=11.892 SPS=1611
bl=0 pos[1]=[10.5 -7.0 -2.3] dr=1.89 t=620.0ps kin=1.58 pot=21.67 Rg=11.855 SPS=1572
bl=0 pos[1]=[10.6 -6.4 -2.3] dr=1.90 t=630.0ps kin=1.54 pot=21.59 Rg=11.665 SPS=1586
bl=0 pos[1]=[11.3 -6.5 -2.0] dr=1.94 t=640.0ps kin=1.53 pot=21.58 Rg=11.412 SPS=1578
bl=0 pos[1]=[10.3 -4.4 -2.6] dr=1.85 t=650.0ps kin=1.54 pot=21.59 Rg=11.407 SPS=1587
bl=0 pos[1]=[9.2 -5.7 -3.9] dr=1.89 t=660.0ps kin=1.55 pot=21.59 Rg=11.380 SPS=1575
bl=0 pos[1]=[9.3 -6.7 -6.8] dr=1.85 t=670.0ps kin=1.52 pot=21.61 Rg=11.386 SPS=1557
bl=0 pos[1]=[11.5 -5.7 -6.6] dr=1.89 t=680.0ps kin=1.51 pot=21.60 Rg=11.415 SPS=1584
bl=0 pos[1]=[10.2 -4.2 -7.6] dr=1.87 t=690.0ps kin=1.54 pot=21.63 Rg=11.426 SPS=1581
bl=0 pos[1]=[10.5 -1.4 -5.6] dr=1.86 t=700.0ps kin=1.52 pot=21.61 Rg=11.543 SPS=1566
bl=0 pos[1]=[10.3 0.3 -2.0] dr=1.85 t=710.0ps kin=1.50 pot=21.60 Rg=11.614 SPS=1575
bl=0 pos[1]=[9.7 -0.7 0.6] dr=1.86 t=720.0ps kin=1.49 pot=21.57 Rg=11.590 SPS=1577
bl=0 pos[1]=[9.6 -1.7 2.0] dr=1.86 t=730.0ps kin=1.48 pot=21.58 Rg=11.636 SPS=1564
bl=0 pos[1]=[7.6 -0.5 2.5] dr=1.96 t=740.0ps kin=1.51 pot=21.58 Rg=11.636 SPS=1572
bl=0 pos[1]=[5.7 0.9 2.1] dr=1.88 t=750.0ps kin=1.50 pot=21.59 Rg=11.640 SPS=1567
bl=0 pos[1]=[6.8 -1.5 0.3] dr=1.89 t=760.0ps kin=1.48 pot=21.59 Rg=11.581 SPS=1564
bl=0 pos[1]=[7.4 -1.4 -0.3] dr=1.91 t=770.0ps kin=1.52 pot=21.57 Rg=11.540 SPS=1545
bl=0 pos[1]=[5.6 -1.1 -0.9] dr=1.95 t=780.0ps kin=1.49 pot=21.52 Rg=11.559 SPS=1579
bl=0 pos[1]=[4.3 -0.4 -2.0] dr=1.95 t=790.0ps kin=1.52 pot=21.53 Rg=11.496 SPS=1564
bl=0 pos[1]=[6.0 -1.1 0.5] dr=1.86 t=800.0ps kin=1.55 pot=21.56 Rg=11.458 SPS=1572
bl=0 pos[1]=[6.1 -2.6 0.7] dr=1.93 t=810.0ps kin=1.54 pot=21.57 Rg=11.351 SPS=1562
bl=0 pos[1]=[5.1 -3.0 2.1] dr=1.84 t=820.0ps kin=1.50 pot=21.59 Rg=11.169 SPS=1568
bl=0 pos[1]=[6.5 -2.9 1.0] dr=1.85 t=830.0ps kin=1.47 pot=21.58 Rg=11.032 SPS=1596
bl=0 pos[1]=[3.8 0.7 -1.6] dr=1.88 t=840.0ps kin=1.49 pot=21.58 Rg=11.130 SPS=1578
bl=0 pos[1]=[3.0 0.6 -1.1] dr=1.90 t=850.0ps kin=1.54 pot=21.58 Rg=11.250 SPS=1388
bl=0 pos[1]=[3.5 1.6 -1.4] dr=1.79 t=860.0ps kin=1.50 pot=21.56 Rg=11.317 SPS=1009
bl=0 pos[1]=[2.5 -0.1 -0.1] dr=1.82 t=870.0ps kin=1.50 pot=21.58 Rg=11.384 SPS=1470
bl=0 pos[1]=[3.6 -2.2 3.5] dr=1.96 t=880.0ps kin=1.50 pot=21.60 Rg=11.489 SPS=1035
bl=0 pos[1]=[3.8 -1.1 2.2] dr=1.92 t=890.0ps kin=1.51 pot=21.59 Rg=11.539 SPS=941
bl=0 pos[1]=[6.0 -2.6 4.2] dr=1.90 t=900.0ps kin=1.50 pot=21.63 Rg=11.560 SPS=1352
bl=0 pos[1]=[6.1 -3.3 6.5] dr=1.85 t=910.0ps kin=1.48 pot=21.58 Rg=11.484 SPS=1331
bl=0 pos[1]=[6.9 -4.6 6.0] dr=1.90 t=920.0ps kin=1.50 pot=21.58 Rg=11.365 SPS=1052
bl=0 pos[1]=[4.9 -4.7 6.1] dr=1.89 t=930.0ps kin=1.51 pot=21.58 Rg=11.150 SPS=1345
bl=0 pos[1]=[4.2 -3.8 5.5] dr=1.87 t=940.0ps kin=1.48 pot=21.59 Rg=11.125 SPS=1556
bl=0 pos[1]=[4.8 -1.2 2.9] dr=1.83 t=950.0ps kin=1.43 pot=21.57 Rg=11.151 SPS=1563
bl=0 pos[1]=[5.4 2.4 1.5] dr=1.77 t=960.0ps kin=1.47 pot=21.59 Rg=11.121 SPS=1565
bl=0 pos[1]=[3.2 1.8 1.9] dr=1.88 t=970.0ps kin=1.51 pot=21.58 Rg=11.190 SPS=1055
bl=0 pos[1]=[5.2 2.7 2.7] dr=1.91 t=980.0ps kin=1.51 pot=21.57 Rg=11.342 SPS=1534
bl=0 pos[1]=[8.7 2.1 5.5] dr=1.91 t=990.0ps kin=1.49 pot=21.61 Rg=11.380 SPS=1546
bl=0 pos[1]=[9.8 2.3 6.4] dr=1.89 t=1000.0ps kin=1.47 pot=21.57 Rg=11.319 SPS=1554
Some details about the output for each block performed:
bl=0 is the number of each block, in this case we set increment=False, so the number of steps is not accounted. pos[1]=[X,Y,Z] the spatial position for the first bead. dr=1.85 show the average positions displacement in each block (in units os sigma). t=1000.0 ps the time step. in this case we set increment=False, so the number of steps is not accounted. kin=1.48 is the kinect energy of the system. pot=21.60 is the potential energy of the system. RG=11.809 is the radius of gyration in the end of each block. SPS=1538 is the steps per second of each block. A way to look how fast the computations are being performed. In this case, it was executed in a MB Pro 2021 with a Apple M1 Max.
Check the convergence of the radius of gyration:
[19]:
plt.plot(rg)
[19]:
[<matplotlib.lines.Line2D at 0x7fafa8dde040>]
The next step is to remove the restraint force in order to run the sampling simulation. It also adds a confinement potential with density = 0.1 (volume fraction).
[20]:
# Remove Flat initialized in Collapse
simulation.removeFlatBottomHarmonic()
# Add a confinement potential with density=0.1 (volume fraction)
simulation.addSphericalConfinementLJ()
[20]:
14.793027236438204
Initiate the optimization object for this tutorial section.
[21]:
optimization = CustomMiChroMTraining(ChromSeq="input/seq_chr10_100k.txt",
TypesTable='input/lambda_0',
mu=3.22, rc = 1.78)
The next step is to perform a long simulation to feed the optimization parameters.
In order to get a good inversion calcultation, it is important to have around \(1\times10^5\) frames from a certain amount of different replicas. For example, \(20\) replicas with \(5.000\) saved frames from each.
This can take some time, so in this tutorial we will use just 1 replica of \(5.000\) frames saved every \(1.000\) steps.
block = 1000
n_blocks = 5000
[22]:
block = 1000
n_blocks = 5000
for _ in range(n_blocks):
# perform 1 block of simulation
simulation.runSimBlock(block, increment=True)
# feed the optimization with the last chromosome configuration
optimization.prob_calculation_types(simulation.getPositions())
bl=1 pos[1]=[12.5 0.4 6.0] dr=1.95 t=1010.0ps kin=1.51 pot=21.49 Rg=11.331 SPS=992
bl=2 pos[1]=[12.2 0.4 8.8] dr=1.98 t=1020.0ps kin=1.47 pot=21.55 Rg=11.478 SPS=1414
bl=3 pos[1]=[9.1 0.2 9.3] dr=1.88 t=1030.0ps kin=1.47 pot=21.52 Rg=11.556 SPS=1254
bl=4 pos[1]=[8.1 -0.1 7.6] dr=1.83 t=1040.0ps kin=1.47 pot=21.55 Rg=11.719 SPS=1209
bl=5 pos[1]=[8.0 -2.6 3.2] dr=1.93 t=1050.0ps kin=1.49 pot=21.50 Rg=11.931 SPS=1343
bl=6 pos[1]=[6.6 -2.8 5.4] dr=1.95 t=1060.0ps kin=1.50 pot=21.53 Rg=12.170 SPS=1446
bl=7 pos[1]=[6.5 -1.8 6.2] dr=1.94 t=1070.0ps kin=1.54 pot=21.49 Rg=12.399 SPS=1495
bl=8 pos[1]=[8.1 -0.5 4.9] dr=1.92 t=1080.0ps kin=1.53 pot=21.52 Rg=12.596 SPS=1585
bl=9 pos[1]=[7.9 -1.0 6.4] dr=1.92 t=1090.0ps kin=1.51 pot=21.55 Rg=12.722 SPS=1554
bl=10 pos[1]=[9.6 -1.1 6.4] dr=1.90 t=1100.0ps kin=1.56 pot=21.52 Rg=12.830 SPS=1573
bl=11 pos[1]=[9.5 -1.6 7.4] dr=1.91 t=1110.0ps kin=1.53 pot=21.43 Rg=12.955 SPS=981
bl=12 pos[1]=[9.5 -3.5 4.7] dr=1.92 t=1120.0ps kin=1.43 pot=21.49 Rg=13.091 SPS=972
bl=13 pos[1]=[9.1 -6.0 5.5] dr=1.94 t=1130.0ps kin=1.53 pot=21.51 Rg=13.225 SPS=1227
bl=14 pos[1]=[7.2 -7.3 5.3] dr=1.92 t=1140.0ps kin=1.52 pot=21.55 Rg=13.320 SPS=1561
bl=15 pos[1]=[5.5 -8.0 8.5] dr=1.96 t=1150.0ps kin=1.46 pot=21.53 Rg=13.414 SPS=1259
bl=16 pos[1]=[7.7 -6.0 7.1] dr=1.89 t=1160.0ps kin=1.51 pot=21.51 Rg=13.509 SPS=1234
bl=17 pos[1]=[6.2 -6.1 9.3] dr=2.01 t=1170.0ps kin=1.54 pot=21.51 Rg=13.630 SPS=1531
bl=18 pos[1]=[6.3 -7.9 11.1] dr=1.91 t=1180.0ps kin=1.45 pot=21.52 Rg=13.704 SPS=1142
bl=19 pos[1]=[5.4 -7.2 10.9] dr=1.81 t=1190.0ps kin=1.54 pot=21.51 Rg=13.701 SPS=1573
bl=20 pos[1]=[6.1 -7.9 12.2] dr=1.86 t=1200.0ps kin=1.43 pot=21.55 Rg=13.831 SPS=1326
bl=21 pos[1]=[4.1 -5.5 12.8] dr=1.85 t=1210.0ps kin=1.48 pot=21.50 Rg=13.844 SPS=1046
bl=22 pos[1]=[6.4 -2.1 13.1] dr=1.91 t=1220.0ps kin=1.50 pot=21.51 Rg=13.795 SPS=1405
bl=23 pos[1]=[8.5 -2.1 14.0] dr=1.90 t=1230.0ps kin=1.49 pot=21.52 Rg=13.843 SPS=1430
bl=24 pos[1]=[7.0 -3.9 10.7] dr=1.94 t=1240.0ps kin=1.49 pot=21.57 Rg=13.921 SPS=1592
bl=25 pos[1]=[8.3 -3.9 9.2] dr=1.88 t=1250.0ps kin=1.52 pot=21.57 Rg=13.911 SPS=1488
bl=26 pos[1]=[8.2 -3.6 10.8] dr=1.89 t=1260.0ps kin=1.53 pot=21.52 Rg=13.950 SPS=1483
bl=27 pos[1]=[6.6 -5.7 9.6] dr=1.92 t=1270.0ps kin=1.53 pot=21.58 Rg=14.059 SPS=1054
bl=28 pos[1]=[8.2 -8.1 7.5] dr=1.93 t=1280.0ps kin=1.54 pot=21.54 Rg=14.131 SPS=1561
bl=29 pos[1]=[11.7 -5.2 6.9] dr=1.99 t=1290.0ps kin=1.58 pot=21.52 Rg=14.221 SPS=1423
bl=30 pos[1]=[14.8 -4.1 6.6] dr=1.96 t=1300.0ps kin=1.48 pot=21.46 Rg=14.285 SPS=1170
bl=31 pos[1]=[16.9 -4.6 7.3] dr=1.86 t=1310.0ps kin=1.51 pot=21.48 Rg=14.288 SPS=1029
bl=32 pos[1]=[17.0 -4.2 6.9] dr=1.93 t=1320.0ps kin=1.50 pot=21.52 Rg=14.398 SPS=1066
bl=33 pos[1]=[14.8 -5.2 8.3] dr=1.97 t=1330.0ps kin=1.52 pot=21.52 Rg=14.552 SPS=970
bl=34 pos[1]=[14.0 -6.8 9.2] dr=1.94 t=1340.0ps kin=1.51 pot=21.46 Rg=14.581 SPS=1116
bl=35 pos[1]=[14.5 -5.4 8.6] dr=1.93 t=1350.0ps kin=1.42 pot=21.51 Rg=14.592 SPS=992
bl=36 pos[1]=[13.7 -4.6 11.6] dr=1.86 t=1360.0ps kin=1.47 pot=21.54 Rg=14.605 SPS=1154
bl=37 pos[1]=[13.9 -2.6 11.1] dr=1.98 t=1370.0ps kin=1.54 pot=21.54 Rg=14.632 SPS=1136
bl=38 pos[1]=[13.6 -2.5 7.9] dr=1.95 t=1380.0ps kin=1.52 pot=21.47 Rg=14.694 SPS=1348
bl=39 pos[1]=[14.0 -4.2 8.0] dr=1.96 t=1390.0ps kin=1.50 pot=21.49 Rg=14.740 SPS=1573
bl=40 pos[1]=[14.7 -3.1 7.9] dr=1.86 t=1400.0ps kin=1.51 pot=21.53 Rg=14.770 SPS=1604
bl=41 pos[1]=[15.9 -1.2 6.4] dr=1.93 t=1410.0ps kin=1.50 pot=21.50 Rg=14.860 SPS=1593
bl=42 pos[1]=[13.0 0.8 8.3] dr=1.88 t=1420.0ps kin=1.58 pot=21.50 Rg=14.924 SPS=1454
bl=43 pos[1]=[10.3 0.1 7.6] dr=1.91 t=1430.0ps kin=1.48 pot=21.59 Rg=14.972 SPS=1670
bl=44 pos[1]=[6.6 -1.6 8.7] dr=1.95 t=1440.0ps kin=1.52 pot=21.56 Rg=15.053 SPS=1631
bl=45 pos[1]=[6.4 -0.3 5.9] dr=1.94 t=1450.0ps kin=1.50 pot=21.51 Rg=15.175 SPS=1656
bl=46 pos[1]=[7.2 -1.4 9.4] dr=1.88 t=1460.0ps kin=1.46 pot=21.52 Rg=15.192 SPS=1612
bl=47 pos[1]=[11.7 -0.9 9.0] dr=1.80 t=1470.0ps kin=1.44 pot=21.53 Rg=15.238 SPS=1635
bl=48 pos[1]=[13.6 0.6 6.4] dr=1.90 t=1480.0ps kin=1.49 pot=21.52 Rg=15.236 SPS=1638
bl=49 pos[1]=[15.2 2.6 5.5] dr=1.93 t=1490.0ps kin=1.49 pot=21.53 Rg=15.239 SPS=1647
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.14867898 0.63290081 -0.5924229 ] Rg = 15.239004
median bond size is 0.9659661391052412
three shortest/longest (<10)/ bonds are [0.88553607 0.8873479 0.8886756 ] [1.07299192 1.07805489 1.11403818]
95 percentile of distance to center is: 22.769893157911408
density of closest 95% monomers is: 0.026050238699639308
density of the core monomers is: 0.0860887710768073
min/median/mean/max coordinates are:
x: -21.70, -0.21, 0.15, 28.10
y: -21.27, 1.35, 0.63, 22.61
z: -17.34, 0.17, -0.59, 13.56
Statistics for velocities:
mean kinetic energy is: 1.4944691013873415 should be: 1.5
fastest particles are (in kT): [6.52137844 6.62133866 6.62370983 6.62576751 6.8617902 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.53350560011062
bl=50 pos[1]=[15.5 2.4 2.5] dr=1.96 t=1500.0ps kin=1.54 pot=21.54 Rg=15.246 SPS=1620
bl=51 pos[1]=[16.0 4.5 -0.5] dr=1.98 t=1510.0ps kin=1.50 pot=21.56 Rg=15.340 SPS=1636
bl=52 pos[1]=[15.0 4.5 -1.2] dr=1.93 t=1520.0ps kin=1.48 pot=21.55 Rg=15.319 SPS=1641
bl=53 pos[1]=[15.5 2.5 -1.6] dr=1.96 t=1530.0ps kin=1.48 pot=21.52 Rg=15.277 SPS=1616
bl=54 pos[1]=[15.9 4.5 -2.7] dr=1.86 t=1540.0ps kin=1.43 pot=21.57 Rg=15.337 SPS=1424
bl=55 pos[1]=[15.4 5.3 -1.4] dr=1.86 t=1550.0ps kin=1.48 pot=21.52 Rg=15.295 SPS=1592
bl=56 pos[1]=[14.2 5.5 -1.5] dr=1.92 t=1560.0ps kin=1.50 pot=21.50 Rg=15.332 SPS=1601
bl=57 pos[1]=[12.2 2.6 -2.3] dr=1.92 t=1570.0ps kin=1.46 pot=21.51 Rg=15.344 SPS=1569
bl=58 pos[1]=[13.4 3.3 -6.1] dr=1.88 t=1580.0ps kin=1.45 pot=21.54 Rg=15.306 SPS=1599
bl=59 pos[1]=[15.8 1.9 -6.2] dr=1.88 t=1590.0ps kin=1.47 pot=21.48 Rg=15.363 SPS=1615
bl=60 pos[1]=[17.7 0.3 -7.5] dr=1.91 t=1600.0ps kin=1.51 pot=21.51 Rg=15.406 SPS=1588
bl=61 pos[1]=[17.3 -2.1 -7.7] dr=1.97 t=1610.0ps kin=1.54 pot=21.46 Rg=15.406 SPS=1590
bl=62 pos[1]=[15.1 -0.7 -4.7] dr=1.94 t=1620.0ps kin=1.44 pot=21.52 Rg=15.404 SPS=1661
bl=63 pos[1]=[13.7 2.0 -3.2] dr=1.94 t=1630.0ps kin=1.50 pot=21.50 Rg=15.484 SPS=1602
bl=64 pos[1]=[11.3 0.8 -5.1] dr=1.93 t=1640.0ps kin=1.45 pot=21.48 Rg=15.660 SPS=1620
bl=65 pos[1]=[9.9 3.3 -4.2] dr=1.93 t=1650.0ps kin=1.52 pot=21.50 Rg=15.836 SPS=1606
bl=66 pos[1]=[11.0 1.0 -2.5] dr=1.97 t=1660.0ps kin=1.59 pot=21.52 Rg=16.024 SPS=1602
bl=67 pos[1]=[11.7 -0.4 -0.8] dr=1.91 t=1670.0ps kin=1.45 pot=21.57 Rg=16.190 SPS=1430
bl=68 pos[1]=[12.5 1.4 -2.2] dr=1.92 t=1680.0ps kin=1.51 pot=21.48 Rg=16.314 SPS=1613
bl=69 pos[1]=[11.7 3.0 -0.7] dr=1.99 t=1690.0ps kin=1.51 pot=21.50 Rg=16.406 SPS=1622
bl=70 pos[1]=[11.0 2.6 -0.6] dr=1.89 t=1700.0ps kin=1.41 pot=21.53 Rg=16.378 SPS=1440
bl=71 pos[1]=[11.9 3.1 -0.9] dr=1.91 t=1710.0ps kin=1.53 pot=21.53 Rg=16.497 SPS=1597
bl=72 pos[1]=[10.9 2.7 -1.8] dr=1.88 t=1720.0ps kin=1.50 pot=21.54 Rg=16.591 SPS=1598
bl=73 pos[1]=[10.8 5.5 -2.6] dr=1.91 t=1730.0ps kin=1.51 pot=21.50 Rg=16.599 SPS=1618
bl=74 pos[1]=[11.2 5.9 -4.2] dr=1.97 t=1740.0ps kin=1.50 pot=21.50 Rg=16.606 SPS=1046
bl=75 pos[1]=[11.0 2.9 -2.4] dr=1.97 t=1750.0ps kin=1.45 pot=21.53 Rg=16.585 SPS=1297
bl=76 pos[1]=[11.9 1.0 -2.8] dr=1.98 t=1760.0ps kin=1.49 pot=21.51 Rg=16.556 SPS=997
bl=77 pos[1]=[11.1 2.8 -4.4] dr=1.92 t=1770.0ps kin=1.52 pot=21.56 Rg=16.563 SPS=1247
bl=78 pos[1]=[9.7 4.0 -3.8] dr=1.88 t=1780.0ps kin=1.42 pot=21.52 Rg=16.713 SPS=1473
bl=79 pos[1]=[10.3 4.9 -2.2] dr=1.92 t=1790.0ps kin=1.50 pot=21.53 Rg=16.742 SPS=1585
bl=80 pos[1]=[12.1 3.5 -3.0] dr=1.91 t=1800.0ps kin=1.53 pot=21.53 Rg=16.601 SPS=1471
bl=81 pos[1]=[14.5 3.4 -4.3] dr=1.89 t=1810.0ps kin=1.51 pot=21.51 Rg=16.530 SPS=1014
bl=82 pos[1]=[14.5 5.3 -3.7] dr=1.97 t=1820.0ps kin=1.56 pot=21.54 Rg=16.491 SPS=1333
bl=83 pos[1]=[15.4 2.5 -5.1] dr=2.00 t=1830.0ps kin=1.49 pot=21.55 Rg=16.695 SPS=1597
bl=84 pos[1]=[15.8 1.4 -5.8] dr=1.94 t=1840.0ps kin=1.47 pot=21.51 Rg=16.789 SPS=1598
bl=85 pos[1]=[12.8 -1.1 -5.7] dr=2.01 t=1850.0ps kin=1.48 pot=21.51 Rg=16.842 SPS=1337
bl=86 pos[1]=[9.2 -3.4 -8.1] dr=1.90 t=1860.0ps kin=1.51 pot=21.52 Rg=16.859 SPS=1430
bl=87 pos[1]=[6.6 -2.4 -7.6] dr=1.97 t=1870.0ps kin=1.53 pot=21.52 Rg=16.928 SPS=1636
bl=88 pos[1]=[8.5 -2.9 -6.8] dr=1.90 t=1880.0ps kin=1.46 pot=21.47 Rg=17.088 SPS=1658
bl=89 pos[1]=[12.2 -2.2 -6.6] dr=1.95 t=1890.0ps kin=1.48 pot=21.52 Rg=17.170 SPS=1619
bl=90 pos[1]=[13.9 -2.0 -2.3] dr=1.89 t=1900.0ps kin=1.42 pot=21.52 Rg=17.109 SPS=1625
bl=91 pos[1]=[13.0 0.5 -1.5] dr=1.88 t=1910.0ps kin=1.44 pot=21.52 Rg=17.101 SPS=1614
bl=92 pos[1]=[13.9 -0.2 -2.4] dr=1.93 t=1920.0ps kin=1.53 pot=21.55 Rg=17.116 SPS=1637
bl=93 pos[1]=[12.5 0.1 -3.2] dr=1.95 t=1930.0ps kin=1.51 pot=21.55 Rg=17.132 SPS=1628
bl=94 pos[1]=[15.1 0.4 -0.7] dr=1.94 t=1940.0ps kin=1.56 pot=21.53 Rg=17.178 SPS=1628
bl=95 pos[1]=[15.9 -2.9 -0.1] dr=1.93 t=1950.0ps kin=1.47 pot=21.56 Rg=17.198 SPS=1624
bl=96 pos[1]=[11.3 -3.9 1.9] dr=1.90 t=1960.0ps kin=1.48 pot=21.56 Rg=17.130 SPS=1632
bl=97 pos[1]=[9.4 -2.2 0.8] dr=1.95 t=1970.0ps kin=1.53 pot=21.51 Rg=17.057 SPS=1630
bl=98 pos[1]=[7.9 -1.0 2.7] dr=1.90 t=1980.0ps kin=1.51 pot=21.47 Rg=17.022 SPS=1639
bl=99 pos[1]=[6.2 0.6 2.4] dr=1.89 t=1990.0ps kin=1.46 pot=21.51 Rg=16.959 SPS=1623
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.35074935 1.90027139 -0.31552879] Rg = 16.95928
median bond size is 0.9679657917985861
three shortest/longest (<10)/ bonds are [0.87878427 0.8880998 0.89105771] [1.07470446 1.08181549 1.08545142]
95 percentile of distance to center is: 26.282923080164625
density of closest 95% monomers is: 0.01693845104887202
density of the core monomers is: 0.06223911358464117
min/median/mean/max coordinates are:
x: -24.09, -0.72, 0.35, 31.69
y: -22.50, 2.87, 1.90, 25.05
z: -16.38, -0.20, -0.32, 18.93
Statistics for velocities:
mean kinetic energy is: 1.458541656442539 should be: 1.5
fastest particles are (in kT): [5.68853584 6.3323633 6.83913283 6.84392383 7.78209849]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.508653668879056
bl=100 pos[1]=[7.3 -2.8 1.3] dr=1.79 t=2000.0ps kin=1.51 pot=21.57 Rg=16.999 SPS=1617
bl=101 pos[1]=[6.4 -5.2 -0.3] dr=1.85 t=2010.0ps kin=1.51 pot=21.52 Rg=17.024 SPS=1585
bl=102 pos[1]=[6.3 -4.0 -1.5] dr=1.91 t=2020.0ps kin=1.48 pot=21.53 Rg=17.097 SPS=1643
bl=103 pos[1]=[3.9 -2.5 -0.2] dr=1.90 t=2030.0ps kin=1.53 pot=21.53 Rg=17.105 SPS=1409
bl=104 pos[1]=[5.8 -3.1 -1.0] dr=1.85 t=2040.0ps kin=1.47 pot=21.52 Rg=17.028 SPS=1608
bl=105 pos[1]=[6.6 -2.7 0.5] dr=1.89 t=2050.0ps kin=1.56 pot=21.49 Rg=16.900 SPS=1673
bl=106 pos[1]=[7.2 -1.6 1.2] dr=1.98 t=2060.0ps kin=1.50 pot=21.57 Rg=16.702 SPS=1650
bl=107 pos[1]=[8.2 -2.8 1.5] dr=1.96 t=2070.0ps kin=1.55 pot=21.53 Rg=16.570 SPS=1635
bl=108 pos[1]=[9.5 -2.5 2.9] dr=1.97 t=2080.0ps kin=1.47 pot=21.56 Rg=16.482 SPS=1308
bl=109 pos[1]=[8.5 -0.3 4.7] dr=1.96 t=2090.0ps kin=1.49 pot=21.56 Rg=16.392 SPS=1583
bl=110 pos[1]=[10.1 -0.1 7.6] dr=2.00 t=2100.0ps kin=1.48 pot=21.52 Rg=16.385 SPS=1262
bl=111 pos[1]=[9.0 1.1 8.1] dr=1.90 t=2110.0ps kin=1.46 pot=21.54 Rg=16.467 SPS=970
bl=112 pos[1]=[7.6 2.6 7.3] dr=1.90 t=2120.0ps kin=1.54 pot=21.49 Rg=16.680 SPS=1178
bl=113 pos[1]=[8.4 2.8 8.5] dr=1.92 t=2130.0ps kin=1.49 pot=21.52 Rg=16.800 SPS=1081
bl=114 pos[1]=[8.5 2.8 8.6] dr=1.91 t=2140.0ps kin=1.49 pot=21.52 Rg=16.993 SPS=1100
bl=115 pos[1]=[6.8 2.8 6.9] dr=1.89 t=2150.0ps kin=1.52 pot=21.47 Rg=17.058 SPS=1584
bl=116 pos[1]=[8.9 1.4 7.4] dr=1.95 t=2160.0ps kin=1.47 pot=21.54 Rg=17.060 SPS=1387
bl=117 pos[1]=[8.7 2.0 7.9] dr=1.93 t=2170.0ps kin=1.47 pot=21.50 Rg=17.081 SPS=1657
bl=118 pos[1]=[7.9 3.0 9.1] dr=1.93 t=2180.0ps kin=1.50 pot=21.55 Rg=17.143 SPS=1431
bl=119 pos[1]=[7.7 3.5 10.4] dr=1.90 t=2190.0ps kin=1.47 pot=21.52 Rg=17.293 SPS=1615
bl=120 pos[1]=[11.6 2.8 9.4] dr=1.90 t=2200.0ps kin=1.50 pot=21.50 Rg=17.377 SPS=1623
bl=121 pos[1]=[11.2 1.9 8.8] dr=1.93 t=2210.0ps kin=1.48 pot=21.53 Rg=17.353 SPS=1597
bl=122 pos[1]=[11.1 0.7 7.1] dr=1.95 t=2220.0ps kin=1.47 pot=21.49 Rg=17.451 SPS=1618
bl=123 pos[1]=[11.9 -0.1 7.0] dr=1.88 t=2230.0ps kin=1.52 pot=21.51 Rg=17.564 SPS=1627
bl=124 pos[1]=[13.0 1.5 9.5] dr=1.86 t=2240.0ps kin=1.51 pot=21.53 Rg=17.605 SPS=1636
bl=125 pos[1]=[14.5 3.8 7.7] dr=1.95 t=2250.0ps kin=1.52 pot=21.54 Rg=17.700 SPS=1636
bl=126 pos[1]=[14.3 4.7 7.6] dr=1.95 t=2260.0ps kin=1.45 pot=21.56 Rg=17.756 SPS=1604
bl=127 pos[1]=[12.3 3.5 7.1] dr=1.86 t=2270.0ps kin=1.52 pot=21.48 Rg=17.724 SPS=1625
bl=128 pos[1]=[12.5 5.8 4.8] dr=1.92 t=2280.0ps kin=1.50 pot=21.53 Rg=17.604 SPS=1548
bl=129 pos[1]=[12.8 7.3 3.4] dr=1.86 t=2290.0ps kin=1.51 pot=21.57 Rg=17.598 SPS=1649
bl=130 pos[1]=[10.3 6.8 1.4] dr=1.90 t=2300.0ps kin=1.50 pot=21.51 Rg=17.706 SPS=1623
bl=131 pos[1]=[9.2 7.0 -1.1] dr=1.95 t=2310.0ps kin=1.53 pot=21.51 Rg=17.732 SPS=1545
bl=132 pos[1]=[10.9 7.5 0.9] dr=1.91 t=2320.0ps kin=1.47 pot=21.48 Rg=17.857 SPS=1534
bl=133 pos[1]=[9.5 7.9 0.0] dr=1.84 t=2330.0ps kin=1.49 pot=21.52 Rg=17.897 SPS=1426
bl=134 pos[1]=[11.1 7.9 0.1] dr=1.98 t=2340.0ps kin=1.54 pot=21.48 Rg=17.933 SPS=1475
bl=135 pos[1]=[11.8 10.6 0.2] dr=2.00 t=2350.0ps kin=1.51 pot=21.47 Rg=17.986 SPS=1586
bl=136 pos[1]=[10.6 11.0 1.5] dr=1.97 t=2360.0ps kin=1.53 pot=21.47 Rg=17.876 SPS=1384
bl=137 pos[1]=[8.3 9.6 1.6] dr=2.01 t=2370.0ps kin=1.49 pot=21.55 Rg=17.893 SPS=1371
bl=138 pos[1]=[7.1 11.9 0.6] dr=1.93 t=2380.0ps kin=1.55 pot=21.52 Rg=17.795 SPS=1614
bl=139 pos[1]=[8.8 12.8 -0.3] dr=1.99 t=2390.0ps kin=1.52 pot=21.52 Rg=17.812 SPS=1627
bl=140 pos[1]=[5.4 12.0 -3.2] dr=1.90 t=2400.0ps kin=1.52 pot=21.52 Rg=17.851 SPS=1538
bl=141 pos[1]=[8.3 11.5 -5.2] dr=1.98 t=2410.0ps kin=1.56 pot=21.49 Rg=17.942 SPS=1628
bl=142 pos[1]=[9.8 12.3 -2.6] dr=1.93 t=2420.0ps kin=1.54 pot=21.47 Rg=17.971 SPS=1634
bl=143 pos[1]=[11.8 12.3 -2.9] dr=2.01 t=2430.0ps kin=1.51 pot=21.53 Rg=17.942 SPS=1604
bl=144 pos[1]=[13.3 10.4 -5.8] dr=1.91 t=2440.0ps kin=1.54 pot=21.55 Rg=17.926 SPS=1583
bl=145 pos[1]=[13.9 10.0 -4.8] dr=1.97 t=2450.0ps kin=1.50 pot=21.47 Rg=17.891 SPS=1603
bl=146 pos[1]=[11.7 9.1 -5.8] dr=1.96 t=2460.0ps kin=1.49 pot=21.51 Rg=17.760 SPS=1456
bl=147 pos[1]=[10.2 11.3 -5.6] dr=1.90 t=2470.0ps kin=1.49 pot=21.51 Rg=17.766 SPS=1279
bl=148 pos[1]=[10.2 8.9 -6.3] dr=1.92 t=2480.0ps kin=1.52 pot=21.52 Rg=17.807 SPS=1625
bl=149 pos[1]=[11.6 6.2 -6.3] dr=1.92 t=2490.0ps kin=1.54 pot=21.52 Rg=17.815 SPS=1404
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 1.02898648 2.09252382 -0.46143351] Rg = 17.815252
median bond size is 0.9691772678513841
three shortest/longest (<10)/ bonds are [0.87767294 0.88025781 0.88162822] [1.08554188 1.0885027 1.11863315]
95 percentile of distance to center is: 28.19222087897472
density of closest 95% monomers is: 0.013724825059488747
density of the core monomers is: 0.055480231144024374
min/median/mean/max coordinates are:
x: -23.20, 1.74, 1.03, 24.31
y: -28.14, 3.74, 2.09, 26.78
z: -19.34, -0.10, -0.46, 14.73
Statistics for velocities:
mean kinetic energy is: 1.5394798611456026 should be: 1.5
fastest particles are (in kT): [6.4173937 6.9643213 7.02395155 7.50991515 9.82441016]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.517184907356196
bl=150 pos[1]=[10.6 7.3 -4.7] dr=1.91 t=2500.0ps kin=1.47 pot=21.48 Rg=17.822 SPS=1620
bl=151 pos[1]=[9.5 6.1 -5.6] dr=1.91 t=2510.0ps kin=1.49 pot=21.52 Rg=17.804 SPS=1616
bl=152 pos[1]=[10.7 5.0 -3.0] dr=1.91 t=2520.0ps kin=1.51 pot=21.47 Rg=17.797 SPS=1292
bl=153 pos[1]=[11.3 6.0 -3.6] dr=1.90 t=2530.0ps kin=1.49 pot=21.51 Rg=17.824 SPS=1615
bl=154 pos[1]=[7.9 7.7 -2.5] dr=1.93 t=2540.0ps kin=1.51 pot=21.46 Rg=17.942 SPS=1542
bl=155 pos[1]=[5.9 7.2 -3.2] dr=1.93 t=2550.0ps kin=1.46 pot=21.51 Rg=17.935 SPS=1486
bl=156 pos[1]=[6.1 6.8 -3.2] dr=1.92 t=2560.0ps kin=1.52 pot=21.47 Rg=18.007 SPS=1593
bl=157 pos[1]=[7.9 7.5 -4.6] dr=1.92 t=2570.0ps kin=1.47 pot=21.52 Rg=18.099 SPS=1610
bl=158 pos[1]=[8.5 4.9 -5.2] dr=1.93 t=2580.0ps kin=1.49 pot=21.51 Rg=18.133 SPS=1369
bl=159 pos[1]=[6.4 6.4 -4.6] dr=1.92 t=2590.0ps kin=1.51 pot=21.51 Rg=18.072 SPS=1346
bl=160 pos[1]=[7.7 7.1 -2.7] dr=1.94 t=2600.0ps kin=1.48 pot=21.48 Rg=18.011 SPS=1631
bl=161 pos[1]=[7.6 7.1 -1.5] dr=1.90 t=2610.0ps kin=1.52 pot=21.50 Rg=17.948 SPS=1370
bl=162 pos[1]=[5.8 5.4 -4.0] dr=1.92 t=2620.0ps kin=1.59 pot=21.50 Rg=17.943 SPS=1313
bl=163 pos[1]=[5.7 5.9 -5.9] dr=1.95 t=2630.0ps kin=1.51 pot=21.52 Rg=18.063 SPS=1364
bl=164 pos[1]=[6.9 7.7 -6.7] dr=1.92 t=2640.0ps kin=1.57 pot=21.51 Rg=18.158 SPS=1371
bl=165 pos[1]=[7.2 6.3 -7.8] dr=1.90 t=2650.0ps kin=1.52 pot=21.49 Rg=18.240 SPS=1349
bl=166 pos[1]=[8.2 6.6 -7.0] dr=1.86 t=2660.0ps kin=1.43 pot=21.51 Rg=18.282 SPS=1592
bl=167 pos[1]=[7.0 7.6 -4.8] dr=1.80 t=2670.0ps kin=1.45 pot=21.52 Rg=18.270 SPS=1542
bl=168 pos[1]=[9.8 7.5 -4.6] dr=1.89 t=2680.0ps kin=1.52 pot=21.55 Rg=18.410 SPS=1576
bl=169 pos[1]=[11.9 6.7 -5.7] dr=2.03 t=2690.0ps kin=1.58 pot=21.47 Rg=18.666 SPS=1377
bl=170 pos[1]=[13.3 6.5 -4.3] dr=1.94 t=2700.0ps kin=1.50 pot=21.52 Rg=18.787 SPS=1029
bl=171 pos[1]=[16.4 7.0 -5.9] dr=1.91 t=2710.0ps kin=1.48 pot=21.53 Rg=18.851 SPS=1350
bl=172 pos[1]=[14.8 5.3 -3.4] dr=1.84 t=2720.0ps kin=1.45 pot=21.53 Rg=18.859 SPS=1423
bl=173 pos[1]=[13.8 5.3 -1.9] dr=1.89 t=2730.0ps kin=1.51 pot=21.51 Rg=18.851 SPS=1281
bl=174 pos[1]=[14.2 3.4 -2.9] dr=1.90 t=2740.0ps kin=1.49 pot=21.53 Rg=18.884 SPS=1606
bl=175 pos[1]=[17.1 3.9 -3.2] dr=1.88 t=2750.0ps kin=1.49 pot=21.56 Rg=18.919 SPS=1592
bl=176 pos[1]=[17.0 3.1 -4.6] dr=1.90 t=2760.0ps kin=1.47 pot=21.52 Rg=18.996 SPS=1629
bl=177 pos[1]=[18.4 2.6 -3.3] dr=1.90 t=2770.0ps kin=1.52 pot=21.54 Rg=19.024 SPS=1612
bl=178 pos[1]=[17.9 3.4 -3.5] dr=1.91 t=2780.0ps kin=1.48 pot=21.51 Rg=19.086 SPS=1611
bl=179 pos[1]=[16.4 3.9 -6.0] dr=1.86 t=2790.0ps kin=1.52 pot=21.47 Rg=19.116 SPS=1602
bl=180 pos[1]=[14.0 4.8 -3.2] dr=1.94 t=2800.0ps kin=1.51 pot=21.47 Rg=19.086 SPS=1581
bl=181 pos[1]=[11.9 2.9 -3.3] dr=1.99 t=2810.0ps kin=1.46 pot=21.52 Rg=19.143 SPS=1596
bl=182 pos[1]=[14.2 2.2 -5.3] dr=1.91 t=2820.0ps kin=1.49 pot=21.52 Rg=19.173 SPS=1533
bl=183 pos[1]=[13.6 1.8 -5.1] dr=1.96 t=2830.0ps kin=1.53 pot=21.50 Rg=19.134 SPS=1589
bl=184 pos[1]=[13.6 1.8 -5.6] dr=1.91 t=2840.0ps kin=1.50 pot=21.50 Rg=19.076 SPS=1608
bl=185 pos[1]=[11.2 1.6 -4.8] dr=1.92 t=2850.0ps kin=1.57 pot=21.54 Rg=18.984 SPS=1610
bl=186 pos[1]=[12.5 0.2 -3.2] dr=1.95 t=2860.0ps kin=1.55 pot=21.59 Rg=18.968 SPS=1613
bl=187 pos[1]=[14.0 3.4 -7.9] dr=1.95 t=2870.0ps kin=1.56 pot=21.58 Rg=18.928 SPS=1590
bl=188 pos[1]=[15.8 1.5 -8.7] dr=1.90 t=2880.0ps kin=1.53 pot=21.49 Rg=19.032 SPS=1630
bl=189 pos[1]=[15.0 0.4 -7.5] dr=1.91 t=2890.0ps kin=1.52 pot=21.56 Rg=19.038 SPS=1615
bl=190 pos[1]=[15.7 -2.7 -6.3] dr=1.90 t=2900.0ps kin=1.50 pot=21.49 Rg=19.144 SPS=1597
bl=191 pos[1]=[15.4 -4.1 -3.1] dr=1.92 t=2910.0ps kin=1.48 pot=21.52 Rg=19.194 SPS=1622
bl=192 pos[1]=[15.4 -4.1 -1.6] dr=1.95 t=2920.0ps kin=1.50 pot=21.50 Rg=19.152 SPS=1669
bl=193 pos[1]=[13.7 -4.5 -0.3] dr=2.03 t=2930.0ps kin=1.49 pot=21.49 Rg=19.216 SPS=1620
bl=194 pos[1]=[14.8 -2.7 -0.3] dr=1.95 t=2940.0ps kin=1.47 pot=21.47 Rg=19.282 SPS=1612
bl=195 pos[1]=[14.3 -0.9 -3.3] dr=1.86 t=2950.0ps kin=1.45 pot=21.49 Rg=19.293 SPS=1607
bl=196 pos[1]=[14.2 -1.3 -2.2] dr=1.88 t=2960.0ps kin=1.53 pot=21.51 Rg=19.271 SPS=1537
bl=197 pos[1]=[12.7 -1.1 -4.0] dr=1.88 t=2970.0ps kin=1.51 pot=21.55 Rg=19.335 SPS=1611
bl=198 pos[1]=[14.6 -0.1 -4.8] dr=1.97 t=2980.0ps kin=1.55 pot=21.45 Rg=19.485 SPS=1473
bl=199 pos[1]=[16.0 -0.2 -7.6] dr=1.95 t=2990.0ps kin=1.50 pot=21.53 Rg=19.580 SPS=1631
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [1.87943766 1.91123833 0.30989365] Rg = 19.579588
median bond size is 0.9701104625508306
three shortest/longest (<10)/ bonds are [0.88329493 0.88868392 0.8901888 ] [1.09221043 1.10349131 1.12628362]
95 percentile of distance to center is: 30.507253482620637
density of closest 95% monomers is: 0.010831418936197636
density of the core monomers is: 0.02177974648493577
min/median/mean/max coordinates are:
x: -22.04, 3.18, 1.88, 25.17
y: -31.30, 2.70, 1.91, 30.17
z: -14.17, 0.74, 0.31, 21.12
Statistics for velocities:
mean kinetic energy is: 1.4994439866743372 should be: 1.5
fastest particles are (in kT): [7.97467844 8.44814707 8.52379486 9.29709778 9.7150864 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.525226424225664
bl=200 pos[1]=[16.0 -0.7 -7.4] dr=1.92 t=3000.0ps kin=1.50 pot=21.52 Rg=19.651 SPS=1589
bl=201 pos[1]=[14.4 3.8 -9.8] dr=1.94 t=3010.0ps kin=1.53 pot=21.53 Rg=19.673 SPS=1599
bl=202 pos[1]=[15.3 2.3 -10.5] dr=1.89 t=3020.0ps kin=1.51 pot=21.53 Rg=19.659 SPS=1319
bl=203 pos[1]=[15.1 4.4 -11.9] dr=1.94 t=3030.0ps kin=1.49 pot=21.50 Rg=19.702 SPS=1402
bl=204 pos[1]=[17.8 1.6 -11.8] dr=1.87 t=3040.0ps kin=1.52 pot=21.56 Rg=19.768 SPS=1171
bl=205 pos[1]=[17.1 1.8 -10.0] dr=1.93 t=3050.0ps kin=1.54 pot=21.53 Rg=19.831 SPS=1496
bl=206 pos[1]=[13.9 1.3 -9.8] dr=1.92 t=3060.0ps kin=1.51 pot=21.58 Rg=19.920 SPS=1637
bl=207 pos[1]=[14.0 1.5 -11.5] dr=1.92 t=3070.0ps kin=1.42 pot=21.54 Rg=19.996 SPS=1627
bl=208 pos[1]=[13.2 3.0 -13.0] dr=1.92 t=3080.0ps kin=1.46 pot=21.54 Rg=20.037 SPS=1627
bl=209 pos[1]=[13.4 3.7 -13.2] dr=1.86 t=3090.0ps kin=1.45 pot=21.55 Rg=20.080 SPS=1593
bl=210 pos[1]=[11.8 4.6 -14.1] dr=1.93 t=3100.0ps kin=1.50 pot=21.51 Rg=20.000 SPS=1632
bl=211 pos[1]=[14.4 6.1 -13.9] dr=1.91 t=3110.0ps kin=1.52 pot=21.49 Rg=19.926 SPS=1609
bl=212 pos[1]=[14.0 8.3 -11.1] dr=1.93 t=3120.0ps kin=1.50 pot=21.53 Rg=19.919 SPS=1608
bl=213 pos[1]=[13.9 7.2 -9.0] dr=1.84 t=3130.0ps kin=1.46 pot=21.55 Rg=19.945 SPS=1220
bl=214 pos[1]=[14.9 6.3 -11.1] dr=1.85 t=3140.0ps kin=1.47 pot=21.58 Rg=20.025 SPS=1592
bl=215 pos[1]=[16.1 8.1 -11.6] dr=1.84 t=3150.0ps kin=1.59 pot=21.55 Rg=20.049 SPS=1624
bl=216 pos[1]=[15.3 8.0 -12.9] dr=1.92 t=3160.0ps kin=1.50 pot=21.58 Rg=20.071 SPS=1626
bl=217 pos[1]=[13.7 6.3 -12.3] dr=1.90 t=3170.0ps kin=1.47 pot=21.55 Rg=20.035 SPS=1618
bl=218 pos[1]=[15.4 4.8 -11.9] dr=1.86 t=3180.0ps kin=1.53 pot=21.50 Rg=20.093 SPS=1620
bl=219 pos[1]=[15.3 0.8 -10.1] dr=1.99 t=3190.0ps kin=1.53 pot=21.55 Rg=20.185 SPS=1153
bl=220 pos[1]=[14.1 0.6 -10.8] dr=1.93 t=3200.0ps kin=1.46 pot=21.48 Rg=20.330 SPS=1487
bl=221 pos[1]=[13.6 2.5 -13.2] dr=1.88 t=3210.0ps kin=1.51 pot=21.52 Rg=20.400 SPS=1346
bl=222 pos[1]=[13.5 -2.1 -14.4] dr=1.90 t=3220.0ps kin=1.49 pot=21.56 Rg=20.452 SPS=1473
bl=223 pos[1]=[12.7 -2.0 -12.8] dr=1.93 t=3230.0ps kin=1.53 pot=21.52 Rg=20.434 SPS=1086
bl=224 pos[1]=[13.8 -1.9 -12.5] dr=1.93 t=3240.0ps kin=1.48 pot=21.54 Rg=20.296 SPS=1035
bl=225 pos[1]=[13.2 0.2 -8.8] dr=1.90 t=3250.0ps kin=1.51 pot=21.55 Rg=20.268 SPS=959
bl=226 pos[1]=[13.4 -0.8 -9.1] dr=2.00 t=3260.0ps kin=1.53 pot=21.58 Rg=20.322 SPS=1348
bl=227 pos[1]=[15.7 1.3 -8.8] dr=1.91 t=3270.0ps kin=1.58 pot=21.56 Rg=20.302 SPS=1563
bl=228 pos[1]=[15.4 4.6 -6.9] dr=1.89 t=3280.0ps kin=1.53 pot=21.62 Rg=20.250 SPS=1544
bl=229 pos[1]=[13.9 2.4 -9.2] dr=1.96 t=3290.0ps kin=1.53 pot=21.52 Rg=20.346 SPS=1505
bl=230 pos[1]=[14.6 -2.5 -8.3] dr=1.90 t=3300.0ps kin=1.47 pot=21.49 Rg=20.380 SPS=1353
bl=231 pos[1]=[14.8 -3.8 -7.8] dr=1.84 t=3310.0ps kin=1.48 pot=21.48 Rg=20.440 SPS=1107
bl=232 pos[1]=[17.5 -4.0 -6.9] dr=1.85 t=3320.0ps kin=1.49 pot=21.49 Rg=20.531 SPS=1585
bl=233 pos[1]=[18.3 -0.6 -5.6] dr=1.95 t=3330.0ps kin=1.49 pot=21.51 Rg=20.596 SPS=1589
bl=234 pos[1]=[20.4 0.4 -5.7] dr=1.87 t=3340.0ps kin=1.49 pot=21.53 Rg=20.668 SPS=1657
bl=235 pos[1]=[18.1 -0.3 -4.5] dr=1.97 t=3350.0ps kin=1.41 pot=21.52 Rg=20.747 SPS=1600
bl=236 pos[1]=[16.3 0.9 -4.7] dr=1.93 t=3360.0ps kin=1.52 pot=21.48 Rg=20.709 SPS=1581
bl=237 pos[1]=[12.9 -0.2 -3.8] dr=2.08 t=3370.0ps kin=1.49 pot=21.51 Rg=20.589 SPS=1612
bl=238 pos[1]=[11.1 -1.7 -4.8] dr=1.99 t=3380.0ps kin=1.48 pot=21.53 Rg=20.548 SPS=1565
bl=239 pos[1]=[12.4 -2.9 -6.4] dr=1.89 t=3390.0ps kin=1.49 pot=21.57 Rg=20.571 SPS=1577
bl=240 pos[1]=[9.7 -3.7 -6.5] dr=1.85 t=3400.0ps kin=1.54 pot=21.51 Rg=20.636 SPS=1550
bl=241 pos[1]=[9.6 -3.4 -7.0] dr=1.93 t=3410.0ps kin=1.47 pot=21.52 Rg=20.636 SPS=1610
bl=242 pos[1]=[8.9 -5.3 -5.8] dr=1.96 t=3420.0ps kin=1.44 pot=21.48 Rg=20.773 SPS=1602
bl=243 pos[1]=[9.4 -4.9 -7.4] dr=1.81 t=3430.0ps kin=1.48 pot=21.48 Rg=20.882 SPS=1453
bl=244 pos[1]=[10.0 -3.7 -8.0] dr=1.88 t=3440.0ps kin=1.49 pot=21.49 Rg=20.960 SPS=1595
bl=245 pos[1]=[12.2 -2.0 -7.0] dr=1.88 t=3450.0ps kin=1.53 pot=21.52 Rg=21.036 SPS=1607
bl=246 pos[1]=[12.4 -4.2 -5.8] dr=1.93 t=3460.0ps kin=1.48 pot=21.49 Rg=21.041 SPS=1623
bl=247 pos[1]=[11.5 -3.5 -5.7] dr=1.94 t=3470.0ps kin=1.53 pot=21.51 Rg=21.056 SPS=1574
bl=248 pos[1]=[11.7 -3.7 -7.8] dr=1.91 t=3480.0ps kin=1.44 pot=21.52 Rg=21.135 SPS=1615
bl=249 pos[1]=[11.1 -3.2 -8.5] dr=1.96 t=3490.0ps kin=1.50 pot=21.50 Rg=21.289 SPS=1596
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [0.06749516 0.58754878 0.12607721] Rg = 21.288837
median bond size is 0.9654406556034867
three shortest/longest (<10)/ bonds are [0.88177957 0.88894301 0.88967697] [1.06897655 1.06983284 1.07088756]
95 percentile of distance to center is: 33.212066420649705
density of closest 95% monomers is: 0.008394735019142709
density of the core monomers is: 0.015962517612526577
min/median/mean/max coordinates are:
x: -27.12, 2.69, 0.07, 22.69
y: -38.23, 2.06, 0.59, 31.55
z: -17.17, -0.12, 0.13, 21.38
Statistics for velocities:
mean kinetic energy is: 1.4963846803676484 should be: 1.5
fastest particles are (in kT): [6.90998986 7.58397717 7.73641151 8.79338552 9.39749189]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.49875985204646
bl=250 pos[1]=[11.8 -7.0 -8.9] dr=1.92 t=3500.0ps kin=1.51 pot=21.51 Rg=21.391 SPS=1607
bl=251 pos[1]=[10.4 -10.2 -7.8] dr=1.95 t=3510.0ps kin=1.52 pot=21.57 Rg=21.432 SPS=1601
bl=252 pos[1]=[13.6 -8.9 -5.0] dr=1.90 t=3520.0ps kin=1.50 pot=21.55 Rg=21.445 SPS=1492
bl=253 pos[1]=[12.6 -7.9 -5.0] dr=1.98 t=3530.0ps kin=1.52 pot=21.52 Rg=21.416 SPS=1612
bl=254 pos[1]=[13.3 -6.9 -3.7] dr=1.94 t=3540.0ps kin=1.45 pot=21.54 Rg=21.407 SPS=1630
bl=255 pos[1]=[13.1 -8.2 -4.7] dr=1.91 t=3550.0ps kin=1.49 pot=21.51 Rg=21.317 SPS=1582
bl=256 pos[1]=[10.3 -8.4 -3.4] dr=1.88 t=3560.0ps kin=1.48 pot=21.49 Rg=21.258 SPS=1584
bl=257 pos[1]=[7.4 -7.0 -6.0] dr=1.92 t=3570.0ps kin=1.50 pot=21.49 Rg=21.291 SPS=1599
bl=258 pos[1]=[7.9 -6.2 -3.6] dr=1.95 t=3580.0ps kin=1.54 pot=21.47 Rg=21.349 SPS=1597
bl=259 pos[1]=[8.4 -4.1 -5.0] dr=1.89 t=3590.0ps kin=1.41 pot=21.47 Rg=21.473 SPS=1559
bl=260 pos[1]=[8.4 -2.7 -5.6] dr=1.93 t=3600.0ps kin=1.49 pot=21.51 Rg=21.621 SPS=1596
bl=261 pos[1]=[7.1 -2.3 -4.8] dr=1.94 t=3610.0ps kin=1.52 pot=21.50 Rg=21.836 SPS=1611
bl=262 pos[1]=[9.5 -3.9 -2.3] dr=1.96 t=3620.0ps kin=1.55 pot=21.51 Rg=21.989 SPS=1608
bl=263 pos[1]=[7.1 -7.2 -4.3] dr=1.95 t=3630.0ps kin=1.50 pot=21.53 Rg=22.044 SPS=1390
bl=264 pos[1]=[7.7 -6.0 -9.2] dr=1.94 t=3640.0ps kin=1.50 pot=21.47 Rg=21.999 SPS=1596
bl=265 pos[1]=[10.3 -6.9 -9.2] dr=1.92 t=3650.0ps kin=1.57 pot=21.54 Rg=21.931 SPS=1613
bl=266 pos[1]=[9.9 -5.0 -10.7] dr=1.97 t=3660.0ps kin=1.50 pot=21.51 Rg=21.960 SPS=1643
bl=267 pos[1]=[9.1 -5.3 -13.5] dr=1.86 t=3670.0ps kin=1.51 pot=21.47 Rg=21.984 SPS=1292
bl=268 pos[1]=[6.8 -6.0 -13.2] dr=1.90 t=3680.0ps kin=1.49 pot=21.48 Rg=21.921 SPS=1472
bl=269 pos[1]=[8.5 -5.5 -12.4] dr=1.88 t=3690.0ps kin=1.48 pot=21.52 Rg=21.901 SPS=1414
bl=270 pos[1]=[7.5 -5.7 -7.8] dr=1.97 t=3700.0ps kin=1.47 pot=21.55 Rg=21.862 SPS=1631
bl=271 pos[1]=[9.8 -7.0 -4.9] dr=1.86 t=3710.0ps kin=1.51 pot=21.52 Rg=21.827 SPS=1623
bl=272 pos[1]=[12.2 -7.8 -4.7] dr=1.92 t=3720.0ps kin=1.52 pot=21.52 Rg=21.781 SPS=1540
bl=273 pos[1]=[9.8 -7.8 -5.6] dr=1.98 t=3730.0ps kin=1.53 pot=21.53 Rg=21.753 SPS=1123
bl=274 pos[1]=[10.2 -7.0 -5.9] dr=1.94 t=3740.0ps kin=1.54 pot=21.49 Rg=21.788 SPS=1594
bl=275 pos[1]=[12.0 -5.6 -5.2] dr=1.98 t=3750.0ps kin=1.54 pot=21.53 Rg=21.896 SPS=1149
bl=276 pos[1]=[11.1 -6.3 -4.0] dr=1.91 t=3760.0ps kin=1.50 pot=21.47 Rg=21.999 SPS=1538
bl=277 pos[1]=[8.3 -5.3 -4.3] dr=1.91 t=3770.0ps kin=1.55 pot=21.45 Rg=22.053 SPS=1633
bl=278 pos[1]=[7.7 -4.0 -5.9] dr=1.93 t=3780.0ps kin=1.54 pot=21.49 Rg=22.058 SPS=1668
bl=279 pos[1]=[8.6 -4.3 -6.5] dr=1.97 t=3790.0ps kin=1.49 pot=21.51 Rg=22.058 SPS=1681
bl=280 pos[1]=[8.2 -5.0 -6.8] dr=1.87 t=3800.0ps kin=1.44 pot=21.52 Rg=22.085 SPS=1609
bl=281 pos[1]=[10.3 -5.0 -5.1] dr=1.85 t=3810.0ps kin=1.51 pot=21.48 Rg=22.132 SPS=1616
bl=282 pos[1]=[10.8 -4.1 -5.2] dr=1.92 t=3820.0ps kin=1.53 pot=21.47 Rg=22.226 SPS=1630
bl=283 pos[1]=[12.6 -3.6 -6.2] dr=1.93 t=3830.0ps kin=1.47 pot=21.53 Rg=22.260 SPS=1615
bl=284 pos[1]=[11.4 -3.0 -3.6] dr=1.93 t=3840.0ps kin=1.55 pot=21.52 Rg=22.340 SPS=1658
bl=285 pos[1]=[10.2 -2.8 -4.2] dr=1.91 t=3850.0ps kin=1.57 pot=21.52 Rg=22.353 SPS=1367
bl=286 pos[1]=[8.9 -2.9 -4.8] dr=1.93 t=3860.0ps kin=1.47 pot=21.51 Rg=22.279 SPS=1631
bl=287 pos[1]=[9.6 -3.7 -4.9] dr=1.94 t=3870.0ps kin=1.51 pot=21.50 Rg=22.216 SPS=1613
bl=288 pos[1]=[8.3 -4.2 -5.6] dr=1.98 t=3880.0ps kin=1.48 pot=21.52 Rg=22.276 SPS=1603
bl=289 pos[1]=[7.8 -6.2 -3.8] dr=1.90 t=3890.0ps kin=1.57 pot=21.53 Rg=22.229 SPS=1595
bl=290 pos[1]=[8.3 -3.2 -1.3] dr=1.92 t=3900.0ps kin=1.54 pot=21.48 Rg=22.164 SPS=1500
bl=291 pos[1]=[9.0 -6.0 2.2] dr=1.99 t=3910.0ps kin=1.57 pot=21.49 Rg=22.107 SPS=1620
bl=292 pos[1]=[12.3 -8.4 0.3] dr=2.04 t=3920.0ps kin=1.52 pot=21.51 Rg=22.097 SPS=1587
bl=293 pos[1]=[12.2 -9.5 1.5] dr=2.00 t=3930.0ps kin=1.56 pot=21.48 Rg=22.113 SPS=1603
bl=294 pos[1]=[12.1 -9.5 2.7] dr=2.07 t=3940.0ps kin=1.50 pot=21.57 Rg=22.195 SPS=1620
bl=295 pos[1]=[13.9 -9.5 2.5] dr=1.89 t=3950.0ps kin=1.56 pot=21.50 Rg=22.211 SPS=1595
bl=296 pos[1]=[13.4 -10.7 1.6] dr=1.92 t=3960.0ps kin=1.51 pot=21.50 Rg=22.308 SPS=1593
bl=297 pos[1]=[15.2 -10.9 3.8] dr=1.93 t=3970.0ps kin=1.50 pot=21.50 Rg=22.443 SPS=1623
bl=298 pos[1]=[16.1 -9.0 3.0] dr=1.94 t=3980.0ps kin=1.49 pot=21.54 Rg=22.532 SPS=1656
bl=299 pos[1]=[16.1 -6.1 3.7] dr=1.90 t=3990.0ps kin=1.52 pot=21.54 Rg=22.660 SPS=1642
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.64105159 -0.63892226 0.16942861] Rg = 22.660145
median bond size is 0.9685770024190793
three shortest/longest (<10)/ bonds are [0.88452608 0.88587754 0.89061184] [1.07888583 1.09535612 1.11154507]
95 percentile of distance to center is: 33.24326602456817
density of closest 95% monomers is: 0.008371121213578307
density of the core monomers is: 0.009007892149849874
min/median/mean/max coordinates are:
x: -26.39, 2.35, -0.64, 26.54
y: -36.86, 0.66, -0.64, 33.67
z: -19.65, 0.63, 0.17, 14.32
Statistics for velocities:
mean kinetic energy is: 1.5263220345998274 should be: 1.5
fastest particles are (in kT): [6.90031049 6.93866204 6.98269653 7.4822494 8.09122568]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.538816198838497
bl=300 pos[1]=[15.2 -2.9 5.7] dr=1.95 t=4000.0ps kin=1.51 pot=21.52 Rg=22.829 SPS=1591
bl=301 pos[1]=[17.4 -1.3 4.1] dr=1.92 t=4010.0ps kin=1.48 pot=21.49 Rg=22.972 SPS=1640
bl=302 pos[1]=[16.3 -0.2 4.0] dr=1.92 t=4020.0ps kin=1.48 pot=21.46 Rg=22.960 SPS=1631
bl=303 pos[1]=[14.9 -2.9 2.8] dr=1.91 t=4030.0ps kin=1.44 pot=21.49 Rg=22.892 SPS=1645
bl=304 pos[1]=[14.4 -4.0 1.9] dr=1.80 t=4040.0ps kin=1.45 pot=21.51 Rg=22.851 SPS=1658
bl=305 pos[1]=[10.9 -3.3 1.9] dr=1.89 t=4050.0ps kin=1.52 pot=21.55 Rg=22.829 SPS=1627
bl=306 pos[1]=[7.2 -5.1 -0.9] dr=1.91 t=4060.0ps kin=1.49 pot=21.56 Rg=22.742 SPS=1636
bl=307 pos[1]=[7.6 -4.0 -1.1] dr=1.96 t=4070.0ps kin=1.49 pot=21.54 Rg=22.783 SPS=1645
bl=308 pos[1]=[9.5 -2.4 -0.7] dr=1.92 t=4080.0ps kin=1.51 pot=21.52 Rg=22.836 SPS=1654
bl=309 pos[1]=[8.7 -5.0 0.4] dr=1.91 t=4090.0ps kin=1.46 pot=21.56 Rg=22.845 SPS=1646
bl=310 pos[1]=[9.3 -4.9 1.2] dr=1.96 t=4100.0ps kin=1.49 pot=21.55 Rg=22.812 SPS=1641
bl=311 pos[1]=[11.6 -3.8 0.9] dr=1.86 t=4110.0ps kin=1.54 pot=21.50 Rg=22.842 SPS=1621
bl=312 pos[1]=[10.6 -1.1 -1.1] dr=1.89 t=4120.0ps kin=1.48 pot=21.50 Rg=22.815 SPS=1597
bl=313 pos[1]=[10.2 -0.2 -3.8] dr=1.90 t=4130.0ps kin=1.45 pot=21.50 Rg=22.788 SPS=1333
bl=314 pos[1]=[10.5 0.9 -3.2] dr=1.91 t=4140.0ps kin=1.51 pot=21.56 Rg=22.806 SPS=969
bl=315 pos[1]=[7.5 0.4 -4.9] dr=1.92 t=4150.0ps kin=1.48 pot=21.56 Rg=22.904 SPS=1416
bl=316 pos[1]=[7.7 -0.3 -6.5] dr=1.90 t=4160.0ps kin=1.50 pot=21.49 Rg=22.988 SPS=1073
bl=317 pos[1]=[7.2 1.3 -8.2] dr=1.95 t=4170.0ps kin=1.45 pot=21.54 Rg=22.964 SPS=1290
bl=318 pos[1]=[5.9 1.1 -8.1] dr=1.90 t=4180.0ps kin=1.51 pot=21.55 Rg=22.960 SPS=1550
bl=319 pos[1]=[6.8 0.3 -7.0] dr=1.90 t=4190.0ps kin=1.42 pot=21.51 Rg=22.968 SPS=1539
bl=320 pos[1]=[7.8 1.3 -7.5] dr=1.92 t=4200.0ps kin=1.49 pot=21.45 Rg=23.015 SPS=1639
bl=321 pos[1]=[9.4 2.6 -6.3] dr=1.93 t=4210.0ps kin=1.50 pot=21.53 Rg=22.948 SPS=1659
bl=322 pos[1]=[13.2 -0.6 -7.6] dr=2.02 t=4220.0ps kin=1.55 pot=21.56 Rg=22.990 SPS=1646
bl=323 pos[1]=[14.3 0.9 -5.8] dr=1.95 t=4230.0ps kin=1.57 pot=21.45 Rg=22.963 SPS=1656
bl=324 pos[1]=[13.1 1.1 -3.8] dr=2.00 t=4240.0ps kin=1.56 pot=21.50 Rg=23.016 SPS=1340
bl=325 pos[1]=[14.8 -0.0 -2.7] dr=1.95 t=4250.0ps kin=1.52 pot=21.49 Rg=23.054 SPS=1527
bl=326 pos[1]=[13.8 -1.5 -2.3] dr=1.91 t=4260.0ps kin=1.54 pot=21.50 Rg=22.994 SPS=1622
bl=327 pos[1]=[11.7 -0.0 -1.6] dr=1.93 t=4270.0ps kin=1.52 pot=21.52 Rg=22.926 SPS=1633
bl=328 pos[1]=[13.1 -0.3 -1.4] dr=1.90 t=4280.0ps kin=1.56 pot=21.52 Rg=22.815 SPS=1594
bl=329 pos[1]=[13.6 -0.4 -0.9] dr=1.92 t=4290.0ps kin=1.51 pot=21.55 Rg=22.670 SPS=1400
bl=330 pos[1]=[13.2 0.7 -4.4] dr=1.96 t=4300.0ps kin=1.53 pot=21.53 Rg=22.670 SPS=1572
bl=331 pos[1]=[11.1 4.1 -6.3] dr=1.88 t=4310.0ps kin=1.47 pot=21.51 Rg=22.742 SPS=1632
bl=332 pos[1]=[11.2 5.5 -4.9] dr=1.89 t=4320.0ps kin=1.47 pot=21.51 Rg=22.776 SPS=1607
bl=333 pos[1]=[11.9 3.0 -6.1] dr=1.89 t=4330.0ps kin=1.48 pot=21.53 Rg=22.806 SPS=1617
bl=334 pos[1]=[12.1 4.8 -6.8] dr=1.89 t=4340.0ps kin=1.48 pot=21.50 Rg=22.812 SPS=1620
bl=335 pos[1]=[11.3 6.9 -8.7] dr=1.88 t=4350.0ps kin=1.46 pot=21.51 Rg=22.796 SPS=1653
bl=336 pos[1]=[10.0 4.9 -8.7] dr=1.89 t=4360.0ps kin=1.52 pot=21.52 Rg=22.805 SPS=1622
bl=337 pos[1]=[9.7 6.6 -6.3] dr=1.92 t=4370.0ps kin=1.50 pot=21.51 Rg=22.814 SPS=1625
bl=338 pos[1]=[9.4 6.4 -6.7] dr=1.97 t=4380.0ps kin=1.50 pot=21.51 Rg=22.782 SPS=1628
bl=339 pos[1]=[10.3 4.9 -6.3] dr=1.87 t=4390.0ps kin=1.47 pot=21.49 Rg=22.762 SPS=1623
bl=340 pos[1]=[10.4 3.7 -4.7] dr=1.89 t=4400.0ps kin=1.54 pot=21.49 Rg=22.651 SPS=1652
bl=341 pos[1]=[11.8 0.4 -3.8] dr=1.89 t=4410.0ps kin=1.45 pot=21.52 Rg=22.596 SPS=1632
bl=342 pos[1]=[9.6 -0.5 -4.6] dr=1.95 t=4420.0ps kin=1.53 pot=21.52 Rg=22.648 SPS=1628
bl=343 pos[1]=[8.5 -0.8 -3.2] dr=1.96 t=4430.0ps kin=1.51 pot=21.47 Rg=22.753 SPS=1652
bl=344 pos[1]=[9.4 -3.1 -2.9] dr=1.96 t=4440.0ps kin=1.46 pot=21.55 Rg=22.870 SPS=1627
bl=345 pos[1]=[8.1 -1.8 -4.3] dr=1.96 t=4450.0ps kin=1.42 pot=21.54 Rg=22.958 SPS=1665
bl=346 pos[1]=[8.2 -2.4 -3.9] dr=1.83 t=4460.0ps kin=1.44 pot=21.53 Rg=23.031 SPS=1649
bl=347 pos[1]=[6.9 -2.0 -2.7] dr=1.91 t=4470.0ps kin=1.49 pot=21.47 Rg=23.047 SPS=1672
bl=348 pos[1]=[7.6 -4.4 0.3] dr=1.90 t=4480.0ps kin=1.46 pot=21.55 Rg=23.040 SPS=1534
bl=349 pos[1]=[8.5 -4.2 1.4] dr=1.88 t=4490.0ps kin=1.51 pot=21.51 Rg=23.018 SPS=1669
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.44438775 0.0955958 0.31685334] Rg = 23.01811
median bond size is 0.9660089602638563
three shortest/longest (<10)/ bonds are [0.88770912 0.88823265 0.89436791] [1.0763442 1.08707616 1.0928278 ]
95 percentile of distance to center is: 32.88739891923711
density of closest 95% monomers is: 0.008645818349944078
density of the core monomers is: 0.011953672192278669
min/median/mean/max coordinates are:
x: -29.90, -0.62, -0.44, 24.57
y: -39.91, 2.23, 0.10, 32.31
z: -20.10, 0.66, 0.32, 21.09
Statistics for velocities:
mean kinetic energy is: 1.5131836770424811 should be: 1.5
fastest particles are (in kT): [7.53312181 7.56102394 7.83205553 8.68780613 9.94009897]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51180229074484
bl=350 pos[1]=[9.6 -2.1 3.8] dr=1.97 t=4500.0ps kin=1.53 pot=21.48 Rg=22.940 SPS=1632
bl=351 pos[1]=[8.8 -2.5 3.3] dr=1.88 t=4510.0ps kin=1.47 pot=21.50 Rg=22.862 SPS=1641
bl=352 pos[1]=[11.0 -1.5 4.9] dr=1.98 t=4520.0ps kin=1.47 pot=21.52 Rg=22.809 SPS=1673
bl=353 pos[1]=[14.4 -1.7 5.4] dr=1.94 t=4530.0ps kin=1.47 pot=21.46 Rg=22.804 SPS=1658
bl=354 pos[1]=[15.8 0.1 7.8] dr=1.97 t=4540.0ps kin=1.48 pot=21.47 Rg=22.713 SPS=1676
bl=355 pos[1]=[16.5 -0.7 8.6] dr=1.93 t=4550.0ps kin=1.48 pot=21.53 Rg=22.747 SPS=1660
bl=356 pos[1]=[16.6 1.8 6.6] dr=1.91 t=4560.0ps kin=1.51 pot=21.49 Rg=22.857 SPS=1643
bl=357 pos[1]=[17.5 2.2 5.3] dr=1.96 t=4570.0ps kin=1.56 pot=21.49 Rg=22.929 SPS=1016
bl=358 pos[1]=[15.0 -0.5 3.0] dr=1.91 t=4580.0ps kin=1.51 pot=21.50 Rg=23.015 SPS=1555
bl=359 pos[1]=[13.5 -1.0 3.5] dr=1.95 t=4590.0ps kin=1.52 pot=21.49 Rg=23.164 SPS=1584
bl=360 pos[1]=[12.3 1.0 3.9] dr=1.96 t=4600.0ps kin=1.49 pot=21.54 Rg=23.273 SPS=1635
bl=361 pos[1]=[10.9 0.6 4.5] dr=1.97 t=4610.0ps kin=1.56 pot=21.46 Rg=23.371 SPS=1612
bl=362 pos[1]=[13.7 1.6 6.2] dr=1.93 t=4620.0ps kin=1.47 pot=21.50 Rg=23.421 SPS=1618
bl=363 pos[1]=[11.3 -0.2 6.0] dr=1.91 t=4630.0ps kin=1.46 pot=21.49 Rg=23.433 SPS=1659
bl=364 pos[1]=[9.8 -2.8 5.3] dr=1.90 t=4640.0ps kin=1.45 pot=21.52 Rg=23.450 SPS=1643
bl=365 pos[1]=[11.2 -6.4 5.9] dr=1.93 t=4650.0ps kin=1.55 pot=21.53 Rg=23.428 SPS=1620
bl=366 pos[1]=[15.1 -6.3 5.9] dr=2.00 t=4660.0ps kin=1.53 pot=21.50 Rg=23.526 SPS=1614
bl=367 pos[1]=[13.9 -3.0 4.0] dr=1.90 t=4670.0ps kin=1.53 pot=21.52 Rg=23.557 SPS=1654
bl=368 pos[1]=[12.7 -2.0 5.1] dr=1.89 t=4680.0ps kin=1.49 pot=21.52 Rg=23.426 SPS=1653
bl=369 pos[1]=[12.7 -2.3 5.6] dr=1.98 t=4690.0ps kin=1.52 pot=21.46 Rg=23.270 SPS=1632
bl=370 pos[1]=[9.0 -5.0 4.4] dr=1.99 t=4700.0ps kin=1.45 pot=21.56 Rg=23.154 SPS=1684
bl=371 pos[1]=[8.4 -2.9 1.0] dr=1.97 t=4710.0ps kin=1.53 pot=21.49 Rg=23.102 SPS=1642
bl=372 pos[1]=[7.7 -4.9 1.3] dr=1.97 t=4720.0ps kin=1.52 pot=21.50 Rg=22.995 SPS=1654
bl=373 pos[1]=[10.0 -5.5 3.1] dr=1.98 t=4730.0ps kin=1.47 pot=21.53 Rg=22.909 SPS=1630
bl=374 pos[1]=[9.7 -7.3 4.0] dr=1.94 t=4740.0ps kin=1.40 pot=21.53 Rg=22.909 SPS=1628
bl=375 pos[1]=[7.0 -6.4 2.9] dr=1.88 t=4750.0ps kin=1.48 pot=21.53 Rg=22.879 SPS=1625
bl=376 pos[1]=[5.5 -5.5 1.5] dr=1.95 t=4760.0ps kin=1.48 pot=21.49 Rg=22.936 SPS=1627
bl=377 pos[1]=[4.1 -6.1 1.8] dr=1.95 t=4770.0ps kin=1.43 pot=21.45 Rg=23.012 SPS=1613
bl=378 pos[1]=[5.7 -7.6 -0.7] dr=1.92 t=4780.0ps kin=1.51 pot=21.46 Rg=23.030 SPS=1514
bl=379 pos[1]=[6.2 -6.7 -4.0] dr=1.98 t=4790.0ps kin=1.51 pot=21.52 Rg=23.056 SPS=1603
bl=380 pos[1]=[7.9 -7.1 -3.3] dr=1.90 t=4800.0ps kin=1.53 pot=21.55 Rg=23.092 SPS=1629
bl=381 pos[1]=[6.5 -8.4 -1.3] dr=1.89 t=4810.0ps kin=1.49 pot=21.60 Rg=23.162 SPS=1643
bl=382 pos[1]=[6.7 -5.2 0.0] dr=1.86 t=4820.0ps kin=1.52 pot=21.52 Rg=23.186 SPS=1636
bl=383 pos[1]=[6.8 -5.7 0.3] dr=1.96 t=4830.0ps kin=1.50 pot=21.54 Rg=23.194 SPS=1647
bl=384 pos[1]=[7.2 -4.8 -2.8] dr=1.97 t=4840.0ps kin=1.56 pot=21.52 Rg=23.232 SPS=1636
bl=385 pos[1]=[6.1 -3.2 -3.4] dr=1.95 t=4850.0ps kin=1.46 pot=21.52 Rg=23.315 SPS=1572
bl=386 pos[1]=[4.5 -3.8 -0.5] dr=1.93 t=4860.0ps kin=1.57 pot=21.52 Rg=23.337 SPS=1643
bl=387 pos[1]=[5.8 -2.4 1.8] dr=1.90 t=4870.0ps kin=1.59 pot=21.51 Rg=23.402 SPS=1363
bl=388 pos[1]=[5.0 -3.3 -0.5] dr=2.00 t=4880.0ps kin=1.50 pot=21.47 Rg=23.525 SPS=1556
bl=389 pos[1]=[7.9 -2.8 -1.8] dr=1.97 t=4890.0ps kin=1.51 pot=21.46 Rg=23.637 SPS=1641
bl=390 pos[1]=[6.5 -1.6 -1.0] dr=1.94 t=4900.0ps kin=1.51 pot=21.51 Rg=23.620 SPS=1644
bl=391 pos[1]=[8.4 -1.1 -0.1] dr=1.96 t=4910.0ps kin=1.54 pot=21.49 Rg=23.637 SPS=1498
bl=392 pos[1]=[8.1 -0.5 -0.3] dr=1.96 t=4920.0ps kin=1.49 pot=21.51 Rg=23.698 SPS=1335
bl=393 pos[1]=[7.2 -1.1 -2.5] dr=1.93 t=4930.0ps kin=1.42 pot=21.51 Rg=23.666 SPS=1613
bl=394 pos[1]=[6.5 -1.8 -1.8] dr=1.87 t=4940.0ps kin=1.46 pot=21.49 Rg=23.696 SPS=1632
bl=395 pos[1]=[6.1 -2.5 -5.0] dr=1.92 t=4950.0ps kin=1.49 pot=21.49 Rg=23.644 SPS=1641
bl=396 pos[1]=[4.3 1.3 -3.5] dr=1.93 t=4960.0ps kin=1.45 pot=21.51 Rg=23.565 SPS=1634
bl=397 pos[1]=[5.6 -1.3 -2.7] dr=1.90 t=4970.0ps kin=1.46 pot=21.52 Rg=23.538 SPS=1634
bl=398 pos[1]=[5.2 -0.5 -3.6] dr=1.89 t=4980.0ps kin=1.49 pot=21.53 Rg=23.604 SPS=1633
bl=399 pos[1]=[5.3 1.4 -2.6] dr=1.90 t=4990.0ps kin=1.48 pot=21.53 Rg=23.663 SPS=1666
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.11712398 -0.38589371 0.59459019] Rg = 23.663395
median bond size is 0.9675508635378712
three shortest/longest (<10)/ bonds are [0.87907744 0.89015926 0.89031747] [1.09870035 1.10616993 1.14494085]
95 percentile of distance to center is: 32.01190671983488
density of closest 95% monomers is: 0.009374757820374393
density of the core monomers is: 0.012230406967882416
min/median/mean/max coordinates are:
x: -36.96, -1.02, -1.12, 26.02
y: -36.10, 3.24, -0.39, 26.77
z: -21.12, 1.14, 0.59, 20.86
Statistics for velocities:
mean kinetic energy is: 1.4867318848350812 should be: 1.5
fastest particles are (in kT): [7.14994936 7.36955798 7.37089892 7.97020302 8.72547906]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.527147861356934
bl=400 pos[1]=[6.1 -0.8 -3.2] dr=1.91 t=5000.0ps kin=1.50 pot=21.53 Rg=23.533 SPS=1610
bl=401 pos[1]=[7.5 -0.5 -2.3] dr=1.89 t=5010.0ps kin=1.53 pot=21.52 Rg=23.529 SPS=1565
bl=402 pos[1]=[6.0 -1.7 -3.6] dr=1.99 t=5020.0ps kin=1.58 pot=21.50 Rg=23.583 SPS=1615
bl=403 pos[1]=[3.2 -2.8 -3.5] dr=1.96 t=5030.0ps kin=1.55 pot=21.52 Rg=23.579 SPS=1650
bl=404 pos[1]=[3.4 -4.6 -2.7] dr=1.82 t=5040.0ps kin=1.48 pot=21.55 Rg=23.484 SPS=1630
bl=405 pos[1]=[2.4 -5.7 0.0] dr=1.88 t=5050.0ps kin=1.51 pot=21.54 Rg=23.481 SPS=1658
bl=406 pos[1]=[4.0 -5.6 2.6] dr=1.92 t=5060.0ps kin=1.48 pot=21.51 Rg=23.563 SPS=1622
bl=407 pos[1]=[3.1 -4.5 6.6] dr=1.95 t=5070.0ps kin=1.48 pot=21.52 Rg=23.522 SPS=1624
bl=408 pos[1]=[0.4 -4.8 5.7] dr=1.91 t=5080.0ps kin=1.55 pot=21.52 Rg=23.526 SPS=1610
bl=409 pos[1]=[-1.1 -4.9 4.3] dr=1.90 t=5090.0ps kin=1.51 pot=21.56 Rg=23.529 SPS=1632
bl=410 pos[1]=[-1.2 -3.7 5.4] dr=1.87 t=5100.0ps kin=1.48 pot=21.55 Rg=23.516 SPS=1630
bl=411 pos[1]=[-0.2 -5.4 5.7] dr=1.89 t=5110.0ps kin=1.50 pot=21.51 Rg=23.497 SPS=1546
bl=412 pos[1]=[-0.1 -6.0 6.2] dr=1.99 t=5120.0ps kin=1.47 pot=21.49 Rg=23.623 SPS=1623
bl=413 pos[1]=[1.1 -6.1 3.6] dr=1.90 t=5130.0ps kin=1.49 pot=21.46 Rg=23.631 SPS=1681
bl=414 pos[1]=[1.6 -3.6 3.5] dr=1.96 t=5140.0ps kin=1.55 pot=21.48 Rg=23.558 SPS=1656
bl=415 pos[1]=[-0.2 -2.2 2.2] dr=1.94 t=5150.0ps kin=1.49 pot=21.51 Rg=23.475 SPS=1628
bl=416 pos[1]=[-1.7 -2.7 1.1] dr=1.90 t=5160.0ps kin=1.47 pot=21.54 Rg=23.432 SPS=1677
bl=417 pos[1]=[-3.8 -4.0 -1.1] dr=1.91 t=5170.0ps kin=1.48 pot=21.51 Rg=23.501 SPS=1663
bl=418 pos[1]=[-2.5 -6.2 -0.9] dr=1.94 t=5180.0ps kin=1.49 pot=21.54 Rg=23.528 SPS=1655
bl=419 pos[1]=[-0.9 -7.3 3.4] dr=1.88 t=5190.0ps kin=1.43 pot=21.51 Rg=23.472 SPS=1644
bl=420 pos[1]=[2.3 -8.7 -0.6] dr=1.87 t=5200.0ps kin=1.49 pot=21.48 Rg=23.395 SPS=1634
bl=421 pos[1]=[3.9 -9.3 -4.2] dr=1.88 t=5210.0ps kin=1.51 pot=21.52 Rg=23.316 SPS=1625
bl=422 pos[1]=[3.2 -12.1 -2.2] dr=1.93 t=5220.0ps kin=1.44 pot=21.50 Rg=23.335 SPS=1601
bl=423 pos[1]=[3.4 -11.2 -2.1] dr=1.91 t=5230.0ps kin=1.45 pot=21.53 Rg=23.397 SPS=1627
bl=424 pos[1]=[4.7 -10.6 -2.1] dr=1.93 t=5240.0ps kin=1.50 pot=21.48 Rg=23.467 SPS=1588
bl=425 pos[1]=[3.8 -9.5 -2.8] dr=1.95 t=5250.0ps kin=1.49 pot=21.49 Rg=23.358 SPS=1612
bl=426 pos[1]=[3.9 -8.4 -3.3] dr=1.95 t=5260.0ps kin=1.47 pot=21.51 Rg=23.308 SPS=1623
bl=427 pos[1]=[5.6 -6.3 -3.9] dr=1.94 t=5270.0ps kin=1.46 pot=21.48 Rg=23.307 SPS=1604
bl=428 pos[1]=[6.0 -6.5 -0.6] dr=1.92 t=5280.0ps kin=1.46 pot=21.48 Rg=23.345 SPS=1601
bl=429 pos[1]=[7.6 -4.3 0.1] dr=1.85 t=5290.0ps kin=1.51 pot=21.52 Rg=23.437 SPS=1621
bl=430 pos[1]=[6.8 -1.2 -1.9] dr=1.90 t=5300.0ps kin=1.49 pot=21.56 Rg=23.483 SPS=1635
bl=431 pos[1]=[7.9 -0.2 -2.5] dr=1.93 t=5310.0ps kin=1.48 pot=21.54 Rg=23.515 SPS=1631
bl=432 pos[1]=[5.8 -1.9 -2.4] dr=1.88 t=5320.0ps kin=1.52 pot=21.53 Rg=23.631 SPS=1648
bl=433 pos[1]=[4.5 -1.7 -4.3] dr=1.84 t=5330.0ps kin=1.50 pot=21.56 Rg=23.661 SPS=1331
bl=434 pos[1]=[4.4 -2.3 -6.7] dr=1.88 t=5340.0ps kin=1.51 pot=21.55 Rg=23.600 SPS=1646
bl=435 pos[1]=[4.8 -1.4 -8.3] dr=1.94 t=5350.0ps kin=1.56 pot=21.44 Rg=23.562 SPS=1592
bl=436 pos[1]=[7.1 -1.3 -9.0] dr=1.92 t=5360.0ps kin=1.53 pot=21.49 Rg=23.562 SPS=1643
bl=437 pos[1]=[5.9 -1.9 -8.0] dr=1.95 t=5370.0ps kin=1.50 pot=21.51 Rg=23.541 SPS=1633
bl=438 pos[1]=[5.4 -1.4 -7.4] dr=1.94 t=5380.0ps kin=1.54 pot=21.49 Rg=23.570 SPS=1621
bl=439 pos[1]=[4.9 -1.9 -8.6] dr=1.84 t=5390.0ps kin=1.44 pot=21.51 Rg=23.566 SPS=1657
bl=440 pos[1]=[5.8 -2.8 -7.6] dr=1.89 t=5400.0ps kin=1.46 pot=21.56 Rg=23.472 SPS=1619
bl=441 pos[1]=[7.1 -3.3 -5.9] dr=1.93 t=5410.0ps kin=1.55 pot=21.52 Rg=23.429 SPS=1668
bl=442 pos[1]=[6.3 -0.0 -3.2] dr=1.86 t=5420.0ps kin=1.44 pot=21.52 Rg=23.481 SPS=1653
bl=443 pos[1]=[6.9 1.4 -0.6] dr=1.91 t=5430.0ps kin=1.53 pot=21.55 Rg=23.510 SPS=1649
bl=444 pos[1]=[7.0 2.2 -4.1] dr=1.96 t=5440.0ps kin=1.50 pot=21.52 Rg=23.538 SPS=1479
bl=445 pos[1]=[10.7 2.2 -3.1] dr=1.91 t=5450.0ps kin=1.52 pot=21.53 Rg=23.478 SPS=1636
bl=446 pos[1]=[9.9 -0.0 -4.4] dr=1.95 t=5460.0ps kin=1.43 pot=21.52 Rg=23.388 SPS=1528
bl=447 pos[1]=[8.5 -0.6 -3.8] dr=1.95 t=5470.0ps kin=1.49 pot=21.48 Rg=23.459 SPS=1621
bl=448 pos[1]=[7.1 -0.0 -5.1] dr=1.93 t=5480.0ps kin=1.51 pot=21.45 Rg=23.437 SPS=1593
bl=449 pos[1]=[8.6 0.6 -7.7] dr=2.05 t=5490.0ps kin=1.52 pot=21.45 Rg=23.424 SPS=1647
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.95978215 -0.20376864 0.93738004] Rg = 23.424446
median bond size is 0.9679183803243103
three shortest/longest (<10)/ bonds are [0.87709211 0.89387279 0.89440593] [1.08963061 1.08983425 1.09288666]
95 percentile of distance to center is: 34.107185718233616
density of closest 95% monomers is: 0.00775098733952232
density of the core monomers is: 0.014050983993823757
min/median/mean/max coordinates are:
x: -33.36, -1.27, -1.96, 26.91
y: -40.20, 3.64, -0.20, 26.57
z: -22.31, 1.28, 0.94, 19.34
Statistics for velocities:
mean kinetic energy is: 1.5178752158316131 should be: 1.5
fastest particles are (in kT): [7.01444174 7.05745446 7.80552257 8.8592012 9.31825639]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.44888170630531
bl=450 pos[1]=[11.1 1.5 -9.4] dr=1.96 t=5500.0ps kin=1.46 pot=21.46 Rg=23.431 SPS=1624
bl=451 pos[1]=[11.6 2.5 -8.7] dr=1.91 t=5510.0ps kin=1.49 pot=21.51 Rg=23.450 SPS=1642
bl=452 pos[1]=[12.6 0.1 -10.2] dr=1.93 t=5520.0ps kin=1.49 pot=21.51 Rg=23.492 SPS=1650
bl=453 pos[1]=[15.0 -0.5 -11.5] dr=1.91 t=5530.0ps kin=1.50 pot=21.50 Rg=23.495 SPS=1652
bl=454 pos[1]=[13.2 -2.1 -11.7] dr=1.92 t=5540.0ps kin=1.52 pot=21.50 Rg=23.527 SPS=1666
bl=455 pos[1]=[12.6 -2.5 -11.3] dr=2.01 t=5550.0ps kin=1.46 pot=21.55 Rg=23.544 SPS=1615
bl=456 pos[1]=[10.3 -2.1 -11.6] dr=1.94 t=5560.0ps kin=1.53 pot=21.46 Rg=23.592 SPS=1664
bl=457 pos[1]=[6.2 -2.2 -13.0] dr=1.93 t=5570.0ps kin=1.47 pot=21.52 Rg=23.623 SPS=1634
bl=458 pos[1]=[5.8 -2.6 -13.0] dr=1.84 t=5580.0ps kin=1.41 pot=21.52 Rg=23.637 SPS=1634
bl=459 pos[1]=[6.7 -1.6 -14.1] dr=1.90 t=5590.0ps kin=1.49 pot=21.51 Rg=23.652 SPS=1622
bl=460 pos[1]=[6.9 -1.3 -12.1] dr=1.87 t=5600.0ps kin=1.36 pot=21.53 Rg=23.634 SPS=1646
bl=461 pos[1]=[5.1 -0.9 -9.6] dr=1.89 t=5610.0ps kin=1.53 pot=21.55 Rg=23.760 SPS=1641
bl=462 pos[1]=[6.0 -3.2 -9.5] dr=1.82 t=5620.0ps kin=1.52 pot=21.52 Rg=23.909 SPS=1642
bl=463 pos[1]=[7.9 -3.8 -6.8] dr=1.94 t=5630.0ps kin=1.50 pot=21.54 Rg=23.976 SPS=1677
bl=464 pos[1]=[7.4 -3.4 -5.4] dr=1.86 t=5640.0ps kin=1.50 pot=21.54 Rg=24.044 SPS=1669
bl=465 pos[1]=[8.9 -0.1 -5.4] dr=1.87 t=5650.0ps kin=1.54 pot=21.56 Rg=24.006 SPS=1625
bl=466 pos[1]=[8.0 1.7 -4.9] dr=1.91 t=5660.0ps kin=1.50 pot=21.55 Rg=24.049 SPS=1617
bl=467 pos[1]=[7.5 1.4 -8.7] dr=1.94 t=5670.0ps kin=1.49 pot=21.49 Rg=24.025 SPS=1630
bl=468 pos[1]=[8.6 4.0 -8.9] dr=1.98 t=5680.0ps kin=1.51 pot=21.55 Rg=24.095 SPS=1639
bl=469 pos[1]=[13.8 2.0 -7.7] dr=1.94 t=5690.0ps kin=1.50 pot=21.52 Rg=24.177 SPS=1661
bl=470 pos[1]=[14.1 2.2 -8.7] dr=1.91 t=5700.0ps kin=1.55 pot=21.48 Rg=24.265 SPS=1663
bl=471 pos[1]=[13.8 4.8 -7.4] dr=1.92 t=5710.0ps kin=1.48 pot=21.53 Rg=24.267 SPS=1646
bl=472 pos[1]=[13.6 4.7 -4.8] dr=1.97 t=5720.0ps kin=1.49 pot=21.52 Rg=24.301 SPS=1665
bl=473 pos[1]=[14.0 4.7 -4.5] dr=1.97 t=5730.0ps kin=1.47 pot=21.49 Rg=24.318 SPS=1666
bl=474 pos[1]=[14.1 4.5 -7.9] dr=1.93 t=5740.0ps kin=1.48 pot=21.51 Rg=24.278 SPS=1631
bl=475 pos[1]=[13.1 4.8 -7.9] dr=1.95 t=5750.0ps kin=1.49 pot=21.58 Rg=24.166 SPS=1648
bl=476 pos[1]=[14.7 1.1 -9.9] dr=1.91 t=5760.0ps kin=1.48 pot=21.54 Rg=24.090 SPS=1487
bl=477 pos[1]=[13.5 -0.6 -11.3] dr=1.90 t=5770.0ps kin=1.50 pot=21.56 Rg=24.009 SPS=1466
bl=478 pos[1]=[13.4 -3.0 -12.6] dr=1.94 t=5780.0ps kin=1.52 pot=21.55 Rg=23.922 SPS=1644
bl=479 pos[1]=[11.3 -3.1 -10.8] dr=1.90 t=5790.0ps kin=1.49 pot=21.49 Rg=23.837 SPS=1626
bl=480 pos[1]=[10.3 -5.1 -7.4] dr=1.91 t=5800.0ps kin=1.52 pot=21.49 Rg=23.692 SPS=1626
bl=481 pos[1]=[13.1 -5.5 -7.7] dr=1.94 t=5810.0ps kin=1.48 pot=21.48 Rg=23.677 SPS=1634
bl=482 pos[1]=[12.0 -2.4 -9.3] dr=1.94 t=5820.0ps kin=1.47 pot=21.52 Rg=23.724 SPS=1643
bl=483 pos[1]=[13.7 -2.2 -9.8] dr=1.96 t=5830.0ps kin=1.46 pot=21.55 Rg=23.776 SPS=1669
bl=484 pos[1]=[15.1 -0.5 -12.5] dr=1.98 t=5840.0ps kin=1.48 pot=21.51 Rg=23.893 SPS=1659
bl=485 pos[1]=[14.9 -0.2 -13.1] dr=1.97 t=5850.0ps kin=1.51 pot=21.54 Rg=23.851 SPS=1636
bl=486 pos[1]=[13.0 0.8 -12.4] dr=1.98 t=5860.0ps kin=1.50 pot=21.56 Rg=23.922 SPS=1605
bl=487 pos[1]=[8.5 0.3 -10.6] dr=1.88 t=5870.0ps kin=1.52 pot=21.52 Rg=23.779 SPS=1636
bl=488 pos[1]=[9.6 1.5 -9.7] dr=1.95 t=5880.0ps kin=1.52 pot=21.52 Rg=23.636 SPS=1502
bl=489 pos[1]=[10.1 3.2 -11.9] dr=1.91 t=5890.0ps kin=1.52 pot=21.50 Rg=23.591 SPS=1640
bl=490 pos[1]=[9.7 2.5 -12.9] dr=1.99 t=5900.0ps kin=1.56 pot=21.49 Rg=23.662 SPS=1642
bl=491 pos[1]=[8.5 1.4 -13.7] dr=1.94 t=5910.0ps kin=1.52 pot=21.54 Rg=23.795 SPS=1650
bl=492 pos[1]=[6.1 2.0 -12.1] dr=1.89 t=5920.0ps kin=1.53 pot=21.55 Rg=23.806 SPS=1597
bl=493 pos[1]=[5.2 1.0 -13.4] dr=1.87 t=5930.0ps kin=1.50 pot=21.51 Rg=23.840 SPS=1666
bl=494 pos[1]=[7.8 -0.7 -16.2] dr=1.89 t=5940.0ps kin=1.48 pot=21.52 Rg=23.765 SPS=1662
bl=495 pos[1]=[9.6 2.0 -15.7] dr=1.90 t=5950.0ps kin=1.52 pot=21.47 Rg=23.754 SPS=1654
bl=496 pos[1]=[9.7 0.8 -13.6] dr=1.92 t=5960.0ps kin=1.51 pot=21.49 Rg=23.654 SPS=1632
bl=497 pos[1]=[7.7 -1.3 -15.7] dr=1.97 t=5970.0ps kin=1.47 pot=21.50 Rg=23.604 SPS=1650
bl=498 pos[1]=[4.7 -0.5 -12.0] dr=1.88 t=5980.0ps kin=1.47 pot=21.49 Rg=23.624 SPS=1656
bl=499 pos[1]=[4.9 0.2 -12.6] dr=1.94 t=5990.0ps kin=1.48 pot=21.57 Rg=23.662 SPS=1675
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.69281703 -0.65047839 0.4674067 ] Rg = 23.66186
median bond size is 0.9686897677892707
three shortest/longest (<10)/ bonds are [0.88243489 0.88286152 0.89283695] [1.08072483 1.08197613 1.14148204]
95 percentile of distance to center is: 32.6973116351007
density of closest 95% monomers is: 0.008797485220134363
density of the core monomers is: 0.010724180002547951
min/median/mean/max coordinates are:
x: -30.68, -1.16, -1.69, 27.04
y: -42.61, 3.13, -0.65, 26.42
z: -22.28, 0.43, 0.47, 19.58
Statistics for velocities:
mean kinetic energy is: 1.484273268663235 should be: 1.5
fastest particles are (in kT): [7.77217385 8.31689734 8.62031567 9.02078298 9.03898329]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.565294293879056
bl=500 pos[1]=[4.4 3.1 -11.6] dr=1.88 t=6000.0ps kin=1.52 pot=21.58 Rg=23.657 SPS=1661
bl=501 pos[1]=[4.5 2.2 -12.0] dr=1.90 t=6010.0ps kin=1.50 pot=21.53 Rg=23.608 SPS=1666
bl=502 pos[1]=[2.0 2.9 -10.3] dr=1.96 t=6020.0ps kin=1.51 pot=21.51 Rg=23.621 SPS=1652
bl=503 pos[1]=[3.0 1.7 -11.6] dr=1.93 t=6030.0ps kin=1.49 pot=21.47 Rg=23.574 SPS=1385
bl=504 pos[1]=[0.4 2.9 -12.3] dr=1.97 t=6040.0ps kin=1.49 pot=21.52 Rg=23.505 SPS=1107
bl=505 pos[1]=[0.4 2.4 -12.2] dr=1.87 t=6050.0ps kin=1.50 pot=21.51 Rg=23.444 SPS=1621
bl=506 pos[1]=[-0.7 1.2 -10.7] dr=1.91 t=6060.0ps kin=1.49 pot=21.52 Rg=23.412 SPS=1630
bl=507 pos[1]=[1.7 3.3 -8.0] dr=1.94 t=6070.0ps kin=1.44 pot=21.49 Rg=23.414 SPS=1621
bl=508 pos[1]=[0.2 2.2 -7.3] dr=1.91 t=6080.0ps kin=1.50 pot=21.50 Rg=23.303 SPS=1636
bl=509 pos[1]=[1.2 2.1 -5.7] dr=1.91 t=6090.0ps kin=1.53 pot=21.49 Rg=23.258 SPS=1282
bl=510 pos[1]=[0.1 2.8 -4.9] dr=1.88 t=6100.0ps kin=1.48 pot=21.51 Rg=23.250 SPS=1628
bl=511 pos[1]=[0.6 3.7 -4.7] dr=1.93 t=6110.0ps kin=1.47 pot=21.56 Rg=23.201 SPS=1551
bl=512 pos[1]=[2.4 2.9 -6.8] dr=2.01 t=6120.0ps kin=1.53 pot=21.55 Rg=23.115 SPS=1322
bl=513 pos[1]=[2.1 0.2 -6.4] dr=1.88 t=6130.0ps kin=1.49 pot=21.47 Rg=23.051 SPS=1600
bl=514 pos[1]=[1.2 -0.9 -7.5] dr=1.92 t=6140.0ps kin=1.51 pot=21.48 Rg=22.992 SPS=1626
bl=515 pos[1]=[1.8 -0.0 -5.5] dr=1.88 t=6150.0ps kin=1.48 pot=21.49 Rg=22.941 SPS=1638
bl=516 pos[1]=[2.2 -1.4 -4.4] dr=1.92 t=6160.0ps kin=1.50 pot=21.48 Rg=22.867 SPS=1658
bl=517 pos[1]=[2.4 -1.2 -3.0] dr=1.86 t=6170.0ps kin=1.49 pot=21.48 Rg=22.843 SPS=1629
bl=518 pos[1]=[3.9 1.2 -2.4] dr=1.92 t=6180.0ps kin=1.48 pot=21.51 Rg=22.719 SPS=1624
bl=519 pos[1]=[2.1 1.4 -4.4] dr=1.93 t=6190.0ps kin=1.50 pot=21.53 Rg=22.643 SPS=1628
bl=520 pos[1]=[0.8 1.5 -5.7] dr=1.89 t=6200.0ps kin=1.54 pot=21.52 Rg=22.650 SPS=1624
bl=521 pos[1]=[1.7 0.8 -4.4] dr=1.84 t=6210.0ps kin=1.47 pot=21.50 Rg=22.615 SPS=1607
bl=522 pos[1]=[2.1 3.4 -0.9] dr=1.88 t=6220.0ps kin=1.42 pot=21.49 Rg=22.597 SPS=1623
bl=523 pos[1]=[0.2 4.2 0.0] dr=1.88 t=6230.0ps kin=1.49 pot=21.50 Rg=22.733 SPS=1623
bl=524 pos[1]=[0.5 4.6 0.1] dr=1.88 t=6240.0ps kin=1.43 pot=21.48 Rg=22.770 SPS=1315
bl=525 pos[1]=[1.1 5.8 -0.1] dr=1.94 t=6250.0ps kin=1.52 pot=21.50 Rg=22.826 SPS=1615
bl=526 pos[1]=[0.3 5.8 0.7] dr=1.93 t=6260.0ps kin=1.50 pot=21.53 Rg=22.963 SPS=1638
bl=527 pos[1]=[0.0 4.1 -0.5] dr=1.90 t=6270.0ps kin=1.51 pot=21.50 Rg=23.142 SPS=1229
bl=528 pos[1]=[1.9 2.8 -3.2] dr=1.95 t=6280.0ps kin=1.52 pot=21.49 Rg=23.202 SPS=1453
bl=529 pos[1]=[-0.1 -0.5 -4.1] dr=1.96 t=6290.0ps kin=1.51 pot=21.53 Rg=23.071 SPS=1446
bl=530 pos[1]=[-2.7 -3.6 -0.5] dr=1.88 t=6300.0ps kin=1.53 pot=21.52 Rg=23.025 SPS=1525
bl=531 pos[1]=[-3.1 -2.4 -0.6] dr=1.89 t=6310.0ps kin=1.54 pot=21.48 Rg=23.078 SPS=1652
bl=532 pos[1]=[-2.7 0.1 -2.8] dr=1.99 t=6320.0ps kin=1.50 pot=21.53 Rg=22.987 SPS=1661
bl=533 pos[1]=[-1.3 -1.8 -4.9] dr=1.95 t=6330.0ps kin=1.52 pot=21.49 Rg=22.986 SPS=1673
bl=534 pos[1]=[-0.0 -4.0 -1.6] dr=1.86 t=6340.0ps kin=1.53 pot=21.52 Rg=22.884 SPS=1626
bl=535 pos[1]=[-2.0 -3.3 -1.8] dr=1.86 t=6350.0ps kin=1.48 pot=21.56 Rg=22.866 SPS=1622
bl=536 pos[1]=[-3.3 -2.6 -3.0] dr=1.87 t=6360.0ps kin=1.51 pot=21.54 Rg=22.895 SPS=1651
bl=537 pos[1]=[-4.3 -1.0 -1.0] dr=1.90 t=6370.0ps kin=1.49 pot=21.46 Rg=22.906 SPS=1630
bl=538 pos[1]=[-2.7 0.9 -1.4] dr=1.94 t=6380.0ps kin=1.52 pot=21.52 Rg=22.950 SPS=1662
bl=539 pos[1]=[1.5 -0.9 -0.1] dr=1.95 t=6390.0ps kin=1.52 pot=21.46 Rg=22.922 SPS=1539
bl=540 pos[1]=[1.4 -2.8 -1.9] dr=1.92 t=6400.0ps kin=1.52 pot=21.53 Rg=22.901 SPS=1365
bl=541 pos[1]=[1.2 -2.3 -0.9] dr=1.93 t=6410.0ps kin=1.55 pot=21.58 Rg=22.948 SPS=1656
bl=542 pos[1]=[-0.5 -1.0 -1.7] dr=1.98 t=6420.0ps kin=1.51 pot=21.53 Rg=23.013 SPS=1613
bl=543 pos[1]=[-0.4 -2.1 -4.2] dr=1.97 t=6430.0ps kin=1.45 pot=21.51 Rg=23.134 SPS=1355
bl=544 pos[1]=[1.0 -1.3 -3.4] dr=2.00 t=6440.0ps kin=1.57 pot=21.49 Rg=23.281 SPS=1625
bl=545 pos[1]=[0.5 -1.1 -3.0] dr=1.99 t=6450.0ps kin=1.54 pot=21.51 Rg=23.376 SPS=1621
bl=546 pos[1]=[-4.5 0.4 -3.7] dr=1.92 t=6460.0ps kin=1.56 pot=21.51 Rg=23.392 SPS=1621
bl=547 pos[1]=[-4.2 -0.2 -4.3] dr=1.91 t=6470.0ps kin=1.54 pot=21.51 Rg=23.378 SPS=1623
bl=548 pos[1]=[-2.6 2.2 -4.4] dr=1.92 t=6480.0ps kin=1.53 pot=21.48 Rg=23.431 SPS=1638
bl=549 pos[1]=[0.5 1.2 -4.1] dr=1.92 t=6490.0ps kin=1.53 pot=21.50 Rg=23.449 SPS=1623
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-2.70377367 -2.14214143 1.23889775] Rg = 23.448835
median bond size is 0.9679430521567984
three shortest/longest (<10)/ bonds are [0.86497313 0.88955456 0.89236986] [1.08391824 1.08728449 1.09493806]
95 percentile of distance to center is: 32.9362930802741
density of closest 95% monomers is: 0.00860737114535466
density of the core monomers is: 0.009177589640619082
min/median/mean/max coordinates are:
x: -30.28, -0.47, -2.70, 31.97
y: -41.77, 3.26, -2.14, 23.37
z: -20.09, 1.37, 1.24, 20.99
Statistics for velocities:
mean kinetic energy is: 1.5286675637381475 should be: 1.5
fastest particles are (in kT): [6.82079413 6.95040779 7.03010202 7.51970539 7.78067483]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.49709911965339
bl=550 pos[1]=[2.4 -0.2 -1.6] dr=1.94 t=6500.0ps kin=1.50 pot=21.48 Rg=23.428 SPS=1620
bl=551 pos[1]=[2.6 2.3 -2.8] dr=1.90 t=6510.0ps kin=1.45 pot=21.50 Rg=23.284 SPS=1577
bl=552 pos[1]=[-0.1 1.8 -4.1] dr=1.87 t=6520.0ps kin=1.51 pot=21.49 Rg=23.120 SPS=1618
bl=553 pos[1]=[-0.9 1.5 -3.3] dr=2.00 t=6530.0ps kin=1.46 pot=21.54 Rg=22.967 SPS=1640
bl=554 pos[1]=[-2.6 -0.1 -2.0] dr=1.98 t=6540.0ps kin=1.49 pot=21.51 Rg=22.952 SPS=1628
bl=555 pos[1]=[-2.6 -1.6 -3.1] dr=1.94 t=6550.0ps kin=1.51 pot=21.53 Rg=22.990 SPS=1643
bl=556 pos[1]=[-4.2 -0.6 -2.8] dr=1.91 t=6560.0ps kin=1.47 pot=21.47 Rg=23.029 SPS=1690
bl=557 pos[1]=[-3.5 0.0 -2.2] dr=1.94 t=6570.0ps kin=1.47 pot=21.50 Rg=23.101 SPS=1658
bl=558 pos[1]=[-3.0 1.3 -2.2] dr=1.94 t=6580.0ps kin=1.52 pot=21.49 Rg=23.211 SPS=1629
bl=559 pos[1]=[-0.1 -0.1 0.5] dr=1.91 t=6590.0ps kin=1.46 pot=21.53 Rg=23.200 SPS=1641
bl=560 pos[1]=[1.2 -2.6 0.7] dr=1.91 t=6600.0ps kin=1.44 pot=21.52 Rg=23.261 SPS=1620
bl=561 pos[1]=[0.8 -1.9 2.1] dr=1.91 t=6610.0ps kin=1.48 pot=21.51 Rg=23.315 SPS=1622
bl=562 pos[1]=[-1.2 -0.6 1.7] dr=1.94 t=6620.0ps kin=1.48 pot=21.50 Rg=23.394 SPS=1627
bl=563 pos[1]=[0.7 -2.0 -0.0] dr=1.89 t=6630.0ps kin=1.48 pot=21.49 Rg=23.453 SPS=1645
bl=564 pos[1]=[1.7 -1.0 0.7] dr=1.90 t=6640.0ps kin=1.49 pot=21.49 Rg=23.452 SPS=1627
bl=565 pos[1]=[4.6 1.7 1.9] dr=1.93 t=6650.0ps kin=1.52 pot=21.53 Rg=23.428 SPS=1612
bl=566 pos[1]=[3.0 5.9 1.3] dr=1.93 t=6660.0ps kin=1.54 pot=21.47 Rg=23.351 SPS=1608
bl=567 pos[1]=[1.9 1.9 0.3] dr=1.92 t=6670.0ps kin=1.47 pot=21.54 Rg=23.248 SPS=1572
bl=568 pos[1]=[2.6 0.1 3.3] dr=1.86 t=6680.0ps kin=1.43 pot=21.50 Rg=23.315 SPS=1230
bl=569 pos[1]=[1.8 1.4 1.8] dr=1.95 t=6690.0ps kin=1.52 pot=21.50 Rg=23.521 SPS=1637
bl=570 pos[1]=[1.0 3.3 1.3] dr=1.91 t=6700.0ps kin=1.46 pot=21.54 Rg=23.624 SPS=1570
bl=571 pos[1]=[-0.4 2.0 2.8] dr=1.90 t=6710.0ps kin=1.54 pot=21.54 Rg=23.820 SPS=1516
bl=572 pos[1]=[-0.0 3.7 1.8] dr=2.00 t=6720.0ps kin=1.53 pot=21.51 Rg=23.924 SPS=1542
bl=573 pos[1]=[2.1 3.2 3.4] dr=1.98 t=6730.0ps kin=1.53 pot=21.56 Rg=23.914 SPS=1606
bl=574 pos[1]=[-0.6 3.2 5.4] dr=1.90 t=6740.0ps kin=1.56 pot=21.53 Rg=23.894 SPS=1147
bl=575 pos[1]=[-0.8 0.8 7.6] dr=1.96 t=6750.0ps kin=1.54 pot=21.46 Rg=23.810 SPS=1533
bl=576 pos[1]=[-0.6 -1.6 2.2] dr=1.91 t=6760.0ps kin=1.53 pot=21.49 Rg=23.652 SPS=1337
bl=577 pos[1]=[-0.0 -2.2 -0.1] dr=1.91 t=6770.0ps kin=1.45 pot=21.51 Rg=23.530 SPS=1344
bl=578 pos[1]=[-0.1 -0.5 -1.0] dr=1.95 t=6780.0ps kin=1.50 pot=21.47 Rg=23.470 SPS=1646
bl=579 pos[1]=[0.5 0.8 -0.1] dr=1.98 t=6790.0ps kin=1.46 pot=21.53 Rg=23.489 SPS=1648
bl=580 pos[1]=[0.8 1.4 -2.2] dr=1.95 t=6800.0ps kin=1.48 pot=21.52 Rg=23.601 SPS=1630
bl=581 pos[1]=[1.1 -0.3 -5.7] dr=1.87 t=6810.0ps kin=1.49 pot=21.54 Rg=23.603 SPS=1619
bl=582 pos[1]=[0.8 -1.8 -7.5] dr=1.87 t=6820.0ps kin=1.48 pot=21.55 Rg=23.606 SPS=1454
bl=583 pos[1]=[2.1 -3.1 -6.5] dr=1.93 t=6830.0ps kin=1.52 pot=21.60 Rg=23.585 SPS=1279
bl=584 pos[1]=[0.3 -5.2 -4.8] dr=1.99 t=6840.0ps kin=1.56 pot=21.53 Rg=23.557 SPS=1533
bl=585 pos[1]=[1.9 -7.7 -4.2] dr=1.92 t=6850.0ps kin=1.53 pot=21.53 Rg=23.631 SPS=1624
bl=586 pos[1]=[3.1 -8.1 -3.5] dr=1.89 t=6860.0ps kin=1.47 pot=21.51 Rg=23.698 SPS=1546
bl=587 pos[1]=[3.0 -7.9 -5.0] dr=1.90 t=6870.0ps kin=1.51 pot=21.51 Rg=23.635 SPS=1146
bl=588 pos[1]=[2.9 -9.4 -5.8] dr=1.93 t=6880.0ps kin=1.50 pot=21.51 Rg=23.704 SPS=1510
bl=589 pos[1]=[4.7 -10.3 -6.1] dr=1.91 t=6890.0ps kin=1.51 pot=21.53 Rg=23.645 SPS=1429
bl=590 pos[1]=[2.3 -10.3 -6.4] dr=1.96 t=6900.0ps kin=1.47 pot=21.52 Rg=23.703 SPS=1592
bl=591 pos[1]=[-2.2 -11.3 -8.6] dr=1.91 t=6910.0ps kin=1.50 pot=21.54 Rg=23.744 SPS=1163
bl=592 pos[1]=[-1.0 -9.5 -3.9] dr=1.91 t=6920.0ps kin=1.46 pot=21.53 Rg=23.839 SPS=1369
bl=593 pos[1]=[1.5 -12.5 -3.0] dr=1.90 t=6930.0ps kin=1.46 pot=21.50 Rg=23.848 SPS=1567
bl=594 pos[1]=[0.6 -12.7 -2.9] dr=1.95 t=6940.0ps kin=1.47 pot=21.50 Rg=23.868 SPS=1619
bl=595 pos[1]=[0.1 -12.5 -3.1] dr=1.92 t=6950.0ps kin=1.46 pot=21.51 Rg=24.016 SPS=1210
bl=596 pos[1]=[0.7 -12.5 -4.4] dr=1.85 t=6960.0ps kin=1.48 pot=21.54 Rg=24.060 SPS=1671
bl=597 pos[1]=[2.7 -12.8 -5.6] dr=1.95 t=6970.0ps kin=1.52 pot=21.53 Rg=24.004 SPS=1631
bl=598 pos[1]=[6.8 -12.1 -4.1] dr=1.96 t=6980.0ps kin=1.47 pot=21.55 Rg=23.969 SPS=1608
bl=599 pos[1]=[7.3 -15.0 -5.2] dr=1.95 t=6990.0ps kin=1.48 pot=21.52 Rg=23.927 SPS=1643
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-2.07254041 -2.71114799 1.01705222] Rg = 23.927088
median bond size is 0.9692667834092675
three shortest/longest (<10)/ bonds are [0.88237712 0.88410564 0.89731815] [1.08733758 1.10035844 1.11712054]
95 percentile of distance to center is: 34.67883825551494
density of closest 95% monomers is: 0.007373964884032676
density of the core monomers is: 0.014050300555415967
min/median/mean/max coordinates are:
x: -30.10, 1.20, -2.07, 25.24
y: -42.25, 2.96, -2.71, 22.95
z: -22.29, 1.18, 1.02, 23.79
Statistics for velocities:
mean kinetic energy is: 1.4810991933752216 should be: 1.5
fastest particles are (in kT): [ 6.83790478 7.18039852 8.63009013 8.66783773 10.14630443]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.52204611449115
bl=600 pos[1]=[5.3 -16.0 -2.0] dr=1.86 t=7000.0ps kin=1.48 pot=21.51 Rg=23.945 SPS=1653
bl=601 pos[1]=[5.5 -14.8 -1.4] dr=1.90 t=7010.0ps kin=1.45 pot=21.46 Rg=24.021 SPS=1638
bl=602 pos[1]=[3.7 -12.2 -3.6] dr=1.91 t=7020.0ps kin=1.51 pot=21.51 Rg=23.903 SPS=1584
bl=603 pos[1]=[1.5 -11.6 -1.7] dr=1.94 t=7030.0ps kin=1.57 pot=21.49 Rg=23.881 SPS=1668
bl=604 pos[1]=[-1.3 -8.9 -1.1] dr=1.87 t=7040.0ps kin=1.56 pot=21.56 Rg=23.894 SPS=1654
bl=605 pos[1]=[-2.3 -8.4 -0.7] dr=1.90 t=7050.0ps kin=1.50 pot=21.55 Rg=23.931 SPS=1637
bl=606 pos[1]=[-5.1 -9.4 0.2] dr=1.89 t=7060.0ps kin=1.52 pot=21.56 Rg=23.995 SPS=1638
bl=607 pos[1]=[-4.8 -7.1 -2.2] dr=1.88 t=7070.0ps kin=1.51 pot=21.59 Rg=24.030 SPS=1637
bl=608 pos[1]=[-3.3 -5.8 -3.5] dr=1.92 t=7080.0ps kin=1.54 pot=21.57 Rg=24.082 SPS=1528
bl=609 pos[1]=[-4.1 -9.2 0.1] dr=1.97 t=7090.0ps kin=1.58 pot=21.54 Rg=24.132 SPS=1628
bl=610 pos[1]=[-2.2 -10.9 1.0] dr=2.03 t=7100.0ps kin=1.54 pot=21.52 Rg=24.151 SPS=1653
bl=611 pos[1]=[-2.1 -9.2 0.2] dr=1.99 t=7110.0ps kin=1.47 pot=21.54 Rg=24.142 SPS=1684
bl=612 pos[1]=[-3.2 -11.7 -0.2] dr=1.91 t=7120.0ps kin=1.44 pot=21.55 Rg=24.148 SPS=1669
bl=613 pos[1]=[-3.8 -13.1 -2.1] dr=1.93 t=7130.0ps kin=1.54 pot=21.51 Rg=24.126 SPS=1637
bl=614 pos[1]=[-0.8 -14.3 -3.9] dr=1.91 t=7140.0ps kin=1.51 pot=21.50 Rg=24.058 SPS=1653
bl=615 pos[1]=[0.8 -13.0 -6.0] dr=1.91 t=7150.0ps kin=1.43 pot=21.52 Rg=24.058 SPS=1652
bl=616 pos[1]=[0.1 -14.3 -1.8] dr=1.93 t=7160.0ps kin=1.51 pot=21.54 Rg=24.051 SPS=1650
bl=617 pos[1]=[-2.8 -14.0 -1.6] dr=1.92 t=7170.0ps kin=1.48 pot=21.51 Rg=24.108 SPS=1429
bl=618 pos[1]=[-1.5 -11.6 -2.3] dr=1.89 t=7180.0ps kin=1.53 pot=21.48 Rg=24.177 SPS=1259
bl=619 pos[1]=[-4.9 -9.3 -3.8] dr=1.93 t=7190.0ps kin=1.50 pot=21.52 Rg=24.156 SPS=1634
bl=620 pos[1]=[-5.4 -8.9 -3.2] dr=1.94 t=7200.0ps kin=1.53 pot=21.49 Rg=24.093 SPS=1402
bl=621 pos[1]=[-5.4 -7.5 -2.4] dr=1.94 t=7210.0ps kin=1.49 pot=21.50 Rg=23.943 SPS=1602
bl=622 pos[1]=[-6.0 -9.7 -4.5] dr=1.95 t=7220.0ps kin=1.48 pot=21.49 Rg=23.827 SPS=1392
bl=623 pos[1]=[-5.6 -8.9 -6.6] dr=1.91 t=7230.0ps kin=1.50 pot=21.51 Rg=23.701 SPS=1651
bl=624 pos[1]=[-3.5 -8.7 -6.7] dr=1.94 t=7240.0ps kin=1.50 pot=21.51 Rg=23.677 SPS=1370
bl=625 pos[1]=[-4.5 -8.7 -6.5] dr=1.86 t=7250.0ps kin=1.45 pot=21.48 Rg=23.695 SPS=1644
bl=626 pos[1]=[-4.3 -8.1 -1.8] dr=1.91 t=7260.0ps kin=1.46 pot=21.51 Rg=23.784 SPS=1641
bl=627 pos[1]=[-4.9 -6.9 0.7] dr=1.86 t=7270.0ps kin=1.54 pot=21.47 Rg=23.878 SPS=1319
bl=628 pos[1]=[-5.9 -7.1 -1.0] dr=1.93 t=7280.0ps kin=1.52 pot=21.53 Rg=23.908 SPS=1638
bl=629 pos[1]=[-6.8 -7.0 -1.9] dr=1.99 t=7290.0ps kin=1.57 pot=21.52 Rg=23.863 SPS=1631
bl=630 pos[1]=[-5.0 -8.6 -0.7] dr=1.97 t=7300.0ps kin=1.52 pot=21.53 Rg=23.993 SPS=1113
bl=631 pos[1]=[-5.1 -8.2 1.6] dr=1.95 t=7310.0ps kin=1.50 pot=21.51 Rg=24.190 SPS=1450
bl=632 pos[1]=[-3.9 -6.7 2.2] dr=1.95 t=7320.0ps kin=1.50 pot=21.46 Rg=24.359 SPS=1435
bl=633 pos[1]=[-2.5 -7.2 1.1] dr=1.94 t=7330.0ps kin=1.50 pot=21.49 Rg=24.446 SPS=1615
bl=634 pos[1]=[-1.8 -6.0 2.3] dr=1.86 t=7340.0ps kin=1.47 pot=21.53 Rg=24.399 SPS=1640
bl=635 pos[1]=[-3.6 -4.0 3.3] dr=1.89 t=7350.0ps kin=1.49 pot=21.48 Rg=24.404 SPS=1650
bl=636 pos[1]=[-4.1 -3.7 3.2] dr=1.85 t=7360.0ps kin=1.49 pot=21.48 Rg=24.366 SPS=1562
bl=637 pos[1]=[-4.2 -6.3 1.4] dr=1.92 t=7370.0ps kin=1.52 pot=21.52 Rg=24.304 SPS=1420
bl=638 pos[1]=[-1.7 -4.5 4.6] dr=1.92 t=7380.0ps kin=1.47 pot=21.50 Rg=24.395 SPS=1641
bl=639 pos[1]=[0.0 -2.2 2.7] dr=1.85 t=7390.0ps kin=1.43 pot=21.48 Rg=24.374 SPS=1458
bl=640 pos[1]=[1.3 -5.5 2.8] dr=1.84 t=7400.0ps kin=1.47 pot=21.50 Rg=24.292 SPS=1305
bl=641 pos[1]=[-0.5 -4.6 1.8] dr=1.91 t=7410.0ps kin=1.49 pot=21.48 Rg=24.215 SPS=1561
bl=642 pos[1]=[-2.2 -4.8 2.9] dr=1.93 t=7420.0ps kin=1.44 pot=21.56 Rg=24.205 SPS=1619
bl=643 pos[1]=[-2.8 -3.1 -1.1] dr=1.91 t=7430.0ps kin=1.48 pot=21.57 Rg=24.228 SPS=1655
bl=644 pos[1]=[-3.1 -4.8 -2.3] dr=1.90 t=7440.0ps kin=1.47 pot=21.54 Rg=24.191 SPS=1715
bl=645 pos[1]=[0.1 -3.1 -2.4] dr=1.90 t=7450.0ps kin=1.52 pot=21.49 Rg=24.166 SPS=1678
bl=646 pos[1]=[0.1 -3.1 1.1] dr=1.90 t=7460.0ps kin=1.52 pot=21.51 Rg=24.217 SPS=1652
bl=647 pos[1]=[1.3 -5.7 0.4] dr=1.84 t=7470.0ps kin=1.47 pot=21.56 Rg=24.150 SPS=1653
bl=648 pos[1]=[1.6 -5.0 1.0] dr=1.85 t=7480.0ps kin=1.48 pot=21.52 Rg=24.136 SPS=1653
bl=649 pos[1]=[3.3 -4.9 2.2] dr=1.85 t=7490.0ps kin=1.48 pot=21.51 Rg=24.126 SPS=1655
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-3.86684744 -1.95158893 1.75689612] Rg = 24.126276
median bond size is 0.9678550027852696
three shortest/longest (<10)/ bonds are [0.88408638 0.89003041 0.89372643] [1.0920874 1.10905255 1.11640461]
95 percentile of distance to center is: 35.638100165284584
density of closest 95% monomers is: 0.006794399093028059
density of the core monomers is: 0.014823239541407221
min/median/mean/max coordinates are:
x: -32.57, -3.14, -3.87, 29.61
y: -37.61, 2.38, -1.95, 22.35
z: -18.64, 1.85, 1.76, 21.31
Statistics for velocities:
mean kinetic energy is: 1.486118944650384 should be: 1.5
fastest particles are (in kT): [ 6.61788309 6.70711312 6.86035702 9.26491707 10.74212417]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.509641754240413
bl=650 pos[1]=[4.6 -7.6 0.6] dr=1.93 t=7500.0ps kin=1.48 pot=21.52 Rg=24.042 SPS=1669
bl=651 pos[1]=[4.6 -10.3 1.5] dr=1.92 t=7510.0ps kin=1.47 pot=21.54 Rg=24.048 SPS=1653
bl=652 pos[1]=[-0.4 -8.7 1.6] dr=1.93 t=7520.0ps kin=1.53 pot=21.50 Rg=23.969 SPS=1657
bl=653 pos[1]=[-0.4 -7.7 2.8] dr=2.01 t=7530.0ps kin=1.50 pot=21.53 Rg=23.974 SPS=1680
bl=654 pos[1]=[-0.0 -8.1 3.8] dr=1.93 t=7540.0ps kin=1.46 pot=21.55 Rg=23.975 SPS=1670
bl=655 pos[1]=[1.1 -7.9 6.4] dr=1.91 t=7550.0ps kin=1.51 pot=21.50 Rg=23.979 SPS=1651
bl=656 pos[1]=[0.3 -10.1 9.0] dr=1.94 t=7560.0ps kin=1.49 pot=21.50 Rg=23.999 SPS=1667
bl=657 pos[1]=[-0.5 -10.2 11.8] dr=1.89 t=7570.0ps kin=1.47 pot=21.55 Rg=24.069 SPS=1650
bl=658 pos[1]=[0.4 -7.8 10.3] dr=1.84 t=7580.0ps kin=1.50 pot=21.53 Rg=24.247 SPS=1645
bl=659 pos[1]=[0.3 -7.0 8.2] dr=1.90 t=7590.0ps kin=1.55 pot=21.51 Rg=24.388 SPS=1637
bl=660 pos[1]=[4.5 -9.2 10.2] dr=1.90 t=7600.0ps kin=1.51 pot=21.52 Rg=24.527 SPS=1613
bl=661 pos[1]=[7.2 -9.1 6.7] dr=1.83 t=7610.0ps kin=1.47 pot=21.54 Rg=24.613 SPS=1632
bl=662 pos[1]=[9.4 -9.8 4.9] dr=1.88 t=7620.0ps kin=1.55 pot=21.51 Rg=24.670 SPS=1648
bl=663 pos[1]=[10.7 -7.5 5.2] dr=1.95 t=7630.0ps kin=1.54 pot=21.53 Rg=24.691 SPS=1662
bl=664 pos[1]=[7.1 -7.8 6.3] dr=1.98 t=7640.0ps kin=1.53 pot=21.52 Rg=24.635 SPS=1651
bl=665 pos[1]=[5.7 -8.7 6.6] dr=1.94 t=7650.0ps kin=1.45 pot=21.51 Rg=24.562 SPS=1665
bl=666 pos[1]=[5.2 -8.6 6.9] dr=1.90 t=7660.0ps kin=1.41 pot=21.55 Rg=24.504 SPS=1466
bl=667 pos[1]=[4.5 -10.0 3.0] dr=1.91 t=7670.0ps kin=1.50 pot=21.48 Rg=24.598 SPS=1633
bl=668 pos[1]=[3.4 -9.7 3.4] dr=1.92 t=7680.0ps kin=1.50 pot=21.50 Rg=24.613 SPS=1492
bl=669 pos[1]=[3.1 -11.2 7.5] dr=1.91 t=7690.0ps kin=1.48 pot=21.51 Rg=24.702 SPS=1601
bl=670 pos[1]=[4.4 -9.0 7.0] dr=1.80 t=7700.0ps kin=1.47 pot=21.54 Rg=24.696 SPS=1473
bl=671 pos[1]=[3.6 -10.6 5.8] dr=1.88 t=7710.0ps kin=1.42 pot=21.49 Rg=24.657 SPS=1407
bl=672 pos[1]=[1.4 -9.7 7.4] dr=1.97 t=7720.0ps kin=1.48 pot=21.50 Rg=24.606 SPS=1326
bl=673 pos[1]=[-0.5 -9.5 6.8] dr=1.95 t=7730.0ps kin=1.46 pot=21.50 Rg=24.564 SPS=1555
bl=674 pos[1]=[-0.6 -9.5 7.1] dr=1.88 t=7740.0ps kin=1.55 pot=21.51 Rg=24.589 SPS=1587
bl=675 pos[1]=[-1.6 -10.9 6.5] dr=1.84 t=7750.0ps kin=1.56 pot=21.52 Rg=24.684 SPS=1445
bl=676 pos[1]=[-1.7 -10.5 5.1] dr=1.89 t=7760.0ps kin=1.53 pot=21.51 Rg=24.730 SPS=1634
bl=677 pos[1]=[-2.2 -10.1 7.8] dr=1.88 t=7770.0ps kin=1.52 pot=21.52 Rg=24.649 SPS=1336
bl=678 pos[1]=[-0.7 -12.0 6.0] dr=2.00 t=7780.0ps kin=1.48 pot=21.47 Rg=24.584 SPS=1456
bl=679 pos[1]=[-0.2 -9.9 7.7] dr=1.95 t=7790.0ps kin=1.46 pot=21.53 Rg=24.626 SPS=1330
bl=680 pos[1]=[1.3 -12.1 5.7] dr=1.94 t=7800.0ps kin=1.50 pot=21.50 Rg=24.744 SPS=1592
bl=681 pos[1]=[3.6 -12.3 5.2] dr=1.96 t=7810.0ps kin=1.51 pot=21.56 Rg=24.751 SPS=1646
bl=682 pos[1]=[6.5 -12.4 3.8] dr=1.98 t=7820.0ps kin=1.50 pot=21.56 Rg=24.859 SPS=1627
bl=683 pos[1]=[7.5 -12.1 3.1] dr=1.93 t=7830.0ps kin=1.53 pot=21.49 Rg=24.942 SPS=1667
bl=684 pos[1]=[7.3 -9.1 4.6] dr=2.00 t=7840.0ps kin=1.49 pot=21.51 Rg=25.065 SPS=1504
bl=685 pos[1]=[7.6 -10.5 6.2] dr=1.98 t=7850.0ps kin=1.50 pot=21.49 Rg=25.026 SPS=1092
bl=686 pos[1]=[6.7 -10.3 7.4] dr=1.95 t=7860.0ps kin=1.48 pot=21.50 Rg=25.049 SPS=1659
bl=687 pos[1]=[6.2 -12.8 3.9] dr=1.96 t=7870.0ps kin=1.48 pot=21.47 Rg=25.167 SPS=1619
bl=688 pos[1]=[3.1 -13.1 0.8] dr=1.94 t=7880.0ps kin=1.51 pot=21.50 Rg=25.146 SPS=1654
bl=689 pos[1]=[-0.8 -11.3 4.8] dr=1.88 t=7890.0ps kin=1.47 pot=21.53 Rg=25.115 SPS=1515
bl=690 pos[1]=[-3.0 -13.0 5.6] dr=1.94 t=7900.0ps kin=1.53 pot=21.51 Rg=25.094 SPS=1330
bl=691 pos[1]=[-7.4 -14.7 3.5] dr=1.90 t=7910.0ps kin=1.49 pot=21.49 Rg=25.047 SPS=1596
bl=692 pos[1]=[-7.9 -14.6 3.6] dr=1.92 t=7920.0ps kin=1.52 pot=21.52 Rg=24.972 SPS=1623
bl=693 pos[1]=[-5.5 -15.1 4.1] dr=1.96 t=7930.0ps kin=1.48 pot=21.56 Rg=25.044 SPS=1486
bl=694 pos[1]=[-2.3 -14.7 2.9] dr=1.96 t=7940.0ps kin=1.51 pot=21.53 Rg=25.048 SPS=1469
bl=695 pos[1]=[-4.7 -15.7 1.9] dr=2.02 t=7950.0ps kin=1.54 pot=21.56 Rg=25.163 SPS=1655
bl=696 pos[1]=[-4.5 -14.1 1.0] dr=1.89 t=7960.0ps kin=1.46 pot=21.53 Rg=25.284 SPS=1646
bl=697 pos[1]=[-3.6 -13.6 3.5] dr=1.87 t=7970.0ps kin=1.55 pot=21.49 Rg=25.334 SPS=1627
bl=698 pos[1]=[-6.4 -14.3 3.6] dr=1.88 t=7980.0ps kin=1.50 pot=21.50 Rg=25.254 SPS=1660
bl=699 pos[1]=[-5.8 -12.2 4.5] dr=1.92 t=7990.0ps kin=1.49 pot=21.53 Rg=25.261 SPS=1636
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-3.67520574 -3.81520928 2.37050166] Rg = 25.261108
median bond size is 0.9674887009037415
three shortest/longest (<10)/ bonds are [0.87840018 0.87985676 0.88372116] [1.08839902 1.08978159 1.09158992]
95 percentile of distance to center is: 40.81921297668653
density of closest 95% monomers is: 0.00452169021001227
density of the core monomers is: 0.022934623112074518
min/median/mean/max coordinates are:
x: -36.14, -4.23, -3.68, 32.51
y: -39.35, 0.05, -3.82, 20.18
z: -15.98, 1.21, 2.37, 21.96
Statistics for velocities:
mean kinetic energy is: 1.4907684964082264 should be: 1.5
fastest particles are (in kT): [6.41593683 6.90047882 7.02300887 7.53492457 8.25106342]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.527922773783185
bl=700 pos[1]=[-4.1 -11.2 8.5] dr=1.96 t=8000.0ps kin=1.53 pot=21.49 Rg=25.337 SPS=1469
bl=701 pos[1]=[-4.4 -11.4 9.1] dr=1.95 t=8010.0ps kin=1.51 pot=21.51 Rg=25.363 SPS=1539
bl=702 pos[1]=[-1.5 -10.0 6.9] dr=1.97 t=8020.0ps kin=1.46 pot=21.58 Rg=25.376 SPS=1642
bl=703 pos[1]=[-1.4 -10.7 7.0] dr=1.90 t=8030.0ps kin=1.49 pot=21.52 Rg=25.302 SPS=1388
bl=704 pos[1]=[-3.2 -9.8 7.2] dr=1.89 t=8040.0ps kin=1.55 pot=21.54 Rg=25.265 SPS=1618
bl=705 pos[1]=[-4.2 -7.0 6.7] dr=1.94 t=8050.0ps kin=1.49 pot=21.53 Rg=25.135 SPS=1427
bl=706 pos[1]=[-3.2 -9.4 7.0] dr=1.94 t=8060.0ps kin=1.46 pot=21.52 Rg=25.095 SPS=1661
bl=707 pos[1]=[-2.5 -8.6 6.9] dr=1.95 t=8070.0ps kin=1.52 pot=21.51 Rg=25.138 SPS=1632
bl=708 pos[1]=[-3.0 -8.6 8.7] dr=1.93 t=8080.0ps kin=1.48 pot=21.51 Rg=25.161 SPS=1179
bl=709 pos[1]=[-2.9 -10.8 11.1] dr=1.92 t=8090.0ps kin=1.48 pot=21.49 Rg=25.206 SPS=1651
bl=710 pos[1]=[-1.9 -10.6 6.2] dr=1.94 t=8100.0ps kin=1.52 pot=21.51 Rg=25.298 SPS=1638
bl=711 pos[1]=[-1.9 -11.4 6.1] dr=1.89 t=8110.0ps kin=1.52 pot=21.54 Rg=25.342 SPS=1612
bl=712 pos[1]=[-4.2 -11.7 8.5] dr=1.91 t=8120.0ps kin=1.57 pot=21.52 Rg=25.372 SPS=1579
bl=713 pos[1]=[-5.8 -10.2 10.6] dr=1.85 t=8130.0ps kin=1.53 pot=21.50 Rg=25.373 SPS=1618
bl=714 pos[1]=[-4.7 -7.8 11.0] dr=1.94 t=8140.0ps kin=1.54 pot=21.55 Rg=25.341 SPS=1630
bl=715 pos[1]=[-5.8 -8.3 10.3] dr=2.00 t=8150.0ps kin=1.53 pot=21.54 Rg=25.206 SPS=1603
bl=716 pos[1]=[-6.0 -10.3 10.7] dr=1.93 t=8160.0ps kin=1.53 pot=21.54 Rg=25.099 SPS=1633
bl=717 pos[1]=[-7.5 -10.4 8.8] dr=1.92 t=8170.0ps kin=1.45 pot=21.53 Rg=25.068 SPS=1636
bl=718 pos[1]=[-9.2 -11.6 8.9] dr=1.88 t=8180.0ps kin=1.50 pot=21.51 Rg=25.145 SPS=1665
bl=719 pos[1]=[-12.0 -13.0 6.4] dr=1.89 t=8190.0ps kin=1.51 pot=21.49 Rg=25.235 SPS=1635
bl=720 pos[1]=[-10.9 -15.6 7.4] dr=1.96 t=8200.0ps kin=1.53 pot=21.55 Rg=25.218 SPS=1667
bl=721 pos[1]=[-11.3 -15.9 8.6] dr=1.87 t=8210.0ps kin=1.50 pot=21.51 Rg=25.127 SPS=1630
bl=722 pos[1]=[-10.9 -17.0 8.0] dr=1.92 t=8220.0ps kin=1.49 pot=21.52 Rg=25.177 SPS=1627
bl=723 pos[1]=[-9.6 -18.5 8.5] dr=1.95 t=8230.0ps kin=1.52 pot=21.52 Rg=25.093 SPS=1631
bl=724 pos[1]=[-8.9 -18.1 9.7] dr=1.85 t=8240.0ps kin=1.55 pot=21.50 Rg=25.060 SPS=1630
bl=725 pos[1]=[-6.5 -15.3 10.5] dr=1.94 t=8250.0ps kin=1.50 pot=21.53 Rg=25.082 SPS=1646
bl=726 pos[1]=[-6.7 -17.1 9.2] dr=1.94 t=8260.0ps kin=1.51 pot=21.52 Rg=25.052 SPS=1651
bl=727 pos[1]=[-4.3 -16.3 10.0] dr=1.85 t=8270.0ps kin=1.54 pot=21.49 Rg=24.999 SPS=1635
bl=728 pos[1]=[-4.2 -13.9 11.5] dr=1.83 t=8280.0ps kin=1.44 pot=21.48 Rg=24.919 SPS=1629
bl=729 pos[1]=[-3.3 -15.6 10.9] dr=1.90 t=8290.0ps kin=1.45 pot=21.50 Rg=24.955 SPS=1629
bl=730 pos[1]=[-5.5 -16.0 10.9] dr=1.83 t=8300.0ps kin=1.48 pot=21.50 Rg=25.037 SPS=1624
bl=731 pos[1]=[-6.5 -17.8 9.8] dr=1.92 t=8310.0ps kin=1.51 pot=21.56 Rg=25.139 SPS=1592
bl=732 pos[1]=[-9.4 -18.1 10.0] dr=1.97 t=8320.0ps kin=1.52 pot=21.55 Rg=25.158 SPS=1628
bl=733 pos[1]=[-7.0 -16.1 8.8] dr=1.99 t=8330.0ps kin=1.54 pot=21.55 Rg=25.148 SPS=1625
bl=734 pos[1]=[-6.1 -15.5 9.0] dr=1.98 t=8340.0ps kin=1.50 pot=21.49 Rg=25.102 SPS=1536
bl=735 pos[1]=[-8.2 -14.9 10.2] dr=1.93 t=8350.0ps kin=1.41 pot=21.50 Rg=25.067 SPS=1674
bl=736 pos[1]=[-6.9 -16.0 8.1] dr=1.88 t=8360.0ps kin=1.46 pot=21.49 Rg=25.000 SPS=1675
bl=737 pos[1]=[-5.8 -18.6 8.4] dr=1.89 t=8370.0ps kin=1.52 pot=21.42 Rg=24.853 SPS=1628
bl=738 pos[1]=[-3.0 -19.0 9.5] dr=1.84 t=8380.0ps kin=1.45 pot=21.50 Rg=24.788 SPS=1622
bl=739 pos[1]=[-6.1 -14.5 11.6] dr=1.87 t=8390.0ps kin=1.46 pot=21.52 Rg=24.757 SPS=1619
bl=740 pos[1]=[-6.6 -18.4 12.7] dr=1.89 t=8400.0ps kin=1.50 pot=21.50 Rg=24.741 SPS=1596
bl=741 pos[1]=[-4.1 -17.9 10.4] dr=1.90 t=8410.0ps kin=1.49 pot=21.50 Rg=24.742 SPS=1533
bl=742 pos[1]=[-5.0 -17.0 9.8] dr=1.83 t=8420.0ps kin=1.45 pot=21.49 Rg=24.691 SPS=1144
bl=743 pos[1]=[-4.6 -14.4 10.4] dr=1.89 t=8430.0ps kin=1.44 pot=21.49 Rg=24.574 SPS=1649
bl=744 pos[1]=[-6.9 -13.2 11.7] dr=1.98 t=8440.0ps kin=1.51 pot=21.53 Rg=24.551 SPS=1582
bl=745 pos[1]=[-9.5 -12.9 8.9] dr=1.98 t=8450.0ps kin=1.54 pot=21.54 Rg=24.583 SPS=1578
bl=746 pos[1]=[-9.6 -11.7 8.5] dr=1.99 t=8460.0ps kin=1.46 pot=21.49 Rg=24.669 SPS=1546
bl=747 pos[1]=[-8.6 -11.8 6.4] dr=1.91 t=8470.0ps kin=1.49 pot=21.49 Rg=24.634 SPS=1605
bl=748 pos[1]=[-8.8 -11.7 4.9] dr=1.93 t=8480.0ps kin=1.41 pot=21.55 Rg=24.569 SPS=1591
bl=749 pos[1]=[-7.7 -10.6 3.5] dr=1.95 t=8490.0ps kin=1.52 pot=21.53 Rg=24.550 SPS=1641
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-4.3645211 -4.5084213 1.51044099] Rg = 24.550129
median bond size is 0.9692990731272402
three shortest/longest (<10)/ bonds are [0.89297301 0.89512219 0.8964157 ] [1.08240483 1.0959197 1.09999487]
95 percentile of distance to center is: 42.272741596378275
density of closest 95% monomers is: 0.004071115660336392
density of the core monomers is: 0.014812708200297385
min/median/mean/max coordinates are:
x: -35.41, -3.39, -4.36, 31.80
y: -43.47, 1.20, -4.51, 21.14
z: -18.69, 0.75, 1.51, 26.25
Statistics for velocities:
mean kinetic energy is: 1.5224355629742743 should be: 1.5
fastest particles are (in kT): [7.7767795 7.8005571 8.09742724 8.49885031 9.1926672 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.525220662794986
bl=750 pos[1]=[-6.7 -9.6 3.7] dr=1.91 t=8500.0ps kin=1.52 pot=21.50 Rg=24.608 SPS=1616
bl=751 pos[1]=[-8.4 -6.6 1.6] dr=1.97 t=8510.0ps kin=1.55 pot=21.51 Rg=24.761 SPS=1650
bl=752 pos[1]=[-8.4 -5.7 5.2] dr=1.92 t=8520.0ps kin=1.43 pot=21.46 Rg=24.843 SPS=1645
bl=753 pos[1]=[-8.5 -6.6 2.8] dr=1.93 t=8530.0ps kin=1.46 pot=21.47 Rg=24.833 SPS=1635
bl=754 pos[1]=[-9.5 -4.8 3.6] dr=1.97 t=8540.0ps kin=1.49 pot=21.56 Rg=24.848 SPS=1650
bl=755 pos[1]=[-10.2 -3.1 3.4] dr=1.89 t=8550.0ps kin=1.47 pot=21.51 Rg=24.787 SPS=1607
bl=756 pos[1]=[-9.4 -2.4 4.2] dr=1.92 t=8560.0ps kin=1.54 pot=21.50 Rg=24.858 SPS=1635
bl=757 pos[1]=[-5.5 -6.4 2.2] dr=1.94 t=8570.0ps kin=1.47 pot=21.50 Rg=24.902 SPS=1653
bl=758 pos[1]=[-4.4 -7.5 -0.2] dr=1.90 t=8580.0ps kin=1.43 pot=21.51 Rg=24.888 SPS=1676
bl=759 pos[1]=[-5.3 -10.3 -1.3] dr=1.82 t=8590.0ps kin=1.42 pot=21.54 Rg=24.905 SPS=1664
bl=760 pos[1]=[-8.0 -13.5 0.5] dr=1.94 t=8600.0ps kin=1.45 pot=21.48 Rg=24.880 SPS=1648
bl=761 pos[1]=[-9.9 -11.3 -0.0] dr=1.91 t=8610.0ps kin=1.41 pot=21.51 Rg=24.859 SPS=1666
bl=762 pos[1]=[-10.5 -9.5 1.8] dr=1.97 t=8620.0ps kin=1.50 pot=21.52 Rg=24.900 SPS=1650
bl=763 pos[1]=[-10.5 -9.4 1.3] dr=1.89 t=8630.0ps kin=1.52 pot=21.49 Rg=25.001 SPS=1652
bl=764 pos[1]=[-8.4 -6.9 0.8] dr=1.86 t=8640.0ps kin=1.51 pot=21.51 Rg=25.167 SPS=1659
bl=765 pos[1]=[-11.2 -8.1 2.3] dr=1.88 t=8650.0ps kin=1.50 pot=21.52 Rg=25.215 SPS=1630
bl=766 pos[1]=[-11.4 -8.3 0.3] dr=1.87 t=8660.0ps kin=1.53 pot=21.52 Rg=25.311 SPS=1536
bl=767 pos[1]=[-8.9 -10.8 1.1] dr=1.88 t=8670.0ps kin=1.52 pot=21.50 Rg=25.329 SPS=1672
bl=768 pos[1]=[-8.6 -9.6 0.9] dr=1.92 t=8680.0ps kin=1.48 pot=21.49 Rg=25.310 SPS=1642
bl=769 pos[1]=[-8.9 -7.6 1.2] dr=1.95 t=8690.0ps kin=1.49 pot=21.48 Rg=25.375 SPS=1595
bl=770 pos[1]=[-10.5 -8.8 1.7] dr=1.94 t=8700.0ps kin=1.48 pot=21.53 Rg=25.470 SPS=1651
bl=771 pos[1]=[-13.9 -7.2 3.8] dr=1.89 t=8710.0ps kin=1.50 pot=21.56 Rg=25.510 SPS=1404
bl=772 pos[1]=[-13.5 -10.1 4.8] dr=1.89 t=8720.0ps kin=1.53 pot=21.50 Rg=25.488 SPS=1622
bl=773 pos[1]=[-12.5 -10.6 3.9] dr=1.96 t=8730.0ps kin=1.54 pot=21.54 Rg=25.393 SPS=1644
bl=774 pos[1]=[-14.9 -12.6 2.0] dr=2.02 t=8740.0ps kin=1.55 pot=21.49 Rg=25.343 SPS=1318
bl=775 pos[1]=[-15.5 -14.0 2.8] dr=1.98 t=8750.0ps kin=1.49 pot=21.48 Rg=25.269 SPS=1647
bl=776 pos[1]=[-13.0 -10.9 0.1] dr=1.97 t=8760.0ps kin=1.48 pot=21.47 Rg=25.219 SPS=1260
bl=777 pos[1]=[-17.3 -10.3 0.5] dr=1.80 t=8770.0ps kin=1.46 pot=21.48 Rg=25.195 SPS=1494
bl=778 pos[1]=[-17.4 -9.7 1.0] dr=1.92 t=8780.0ps kin=1.51 pot=21.51 Rg=25.264 SPS=1638
bl=779 pos[1]=[-18.2 -9.0 -1.9] dr=1.90 t=8790.0ps kin=1.52 pot=21.52 Rg=25.353 SPS=1673
bl=780 pos[1]=[-17.2 -6.7 -2.6] dr=1.93 t=8800.0ps kin=1.51 pot=21.50 Rg=25.374 SPS=1252
bl=781 pos[1]=[-17.3 -8.0 -2.4] dr=1.94 t=8810.0ps kin=1.50 pot=21.55 Rg=25.456 SPS=1642
bl=782 pos[1]=[-15.4 -8.6 -3.9] dr=2.00 t=8820.0ps kin=1.53 pot=21.51 Rg=25.580 SPS=1660
bl=783 pos[1]=[-14.2 -9.9 -3.6] dr=1.98 t=8830.0ps kin=1.52 pot=21.51 Rg=25.584 SPS=1628
bl=784 pos[1]=[-13.6 -9.8 -3.2] dr=1.90 t=8840.0ps kin=1.52 pot=21.52 Rg=25.589 SPS=1659
bl=785 pos[1]=[-13.7 -9.1 -3.8] dr=1.89 t=8850.0ps kin=1.53 pot=21.49 Rg=25.581 SPS=1601
bl=786 pos[1]=[-13.7 -4.5 -1.8] dr=1.94 t=8860.0ps kin=1.55 pot=21.50 Rg=25.575 SPS=1170
bl=787 pos[1]=[-15.3 -2.7 -0.1] dr=2.02 t=8870.0ps kin=1.54 pot=21.57 Rg=25.534 SPS=1414
bl=788 pos[1]=[-13.8 -3.5 -1.3] dr=1.95 t=8880.0ps kin=1.53 pot=21.54 Rg=25.549 SPS=1355
bl=789 pos[1]=[-10.4 -2.2 -3.0] dr=1.97 t=8890.0ps kin=1.52 pot=21.56 Rg=25.527 SPS=1254
bl=790 pos[1]=[-9.0 -2.2 -1.8] dr=1.93 t=8900.0ps kin=1.55 pot=21.56 Rg=25.483 SPS=1648
bl=791 pos[1]=[-5.5 -2.0 -3.6] dr=1.98 t=8910.0ps kin=1.49 pot=21.52 Rg=25.411 SPS=1648
bl=792 pos[1]=[-5.1 -4.2 -5.3] dr=1.94 t=8920.0ps kin=1.52 pot=21.53 Rg=25.417 SPS=1666
bl=793 pos[1]=[-4.7 -2.7 -6.1] dr=2.01 t=8930.0ps kin=1.54 pot=21.52 Rg=25.542 SPS=1656
bl=794 pos[1]=[-4.5 -7.0 -5.8] dr=1.96 t=8940.0ps kin=1.52 pot=21.52 Rg=25.512 SPS=1675
bl=795 pos[1]=[-5.8 -9.0 -6.0] dr=1.95 t=8950.0ps kin=1.52 pot=21.53 Rg=25.470 SPS=1658
bl=796 pos[1]=[-9.1 -9.9 -9.3] dr=1.91 t=8960.0ps kin=1.49 pot=21.51 Rg=25.333 SPS=1649
bl=797 pos[1]=[-8.9 -7.1 -10.3] dr=1.94 t=8970.0ps kin=1.48 pot=21.50 Rg=25.366 SPS=1685
bl=798 pos[1]=[-7.7 -6.8 -9.7] dr=1.85 t=8980.0ps kin=1.50 pot=21.50 Rg=25.402 SPS=1656
bl=799 pos[1]=[-6.9 -8.5 -8.7] dr=1.93 t=8990.0ps kin=1.48 pot=21.50 Rg=25.456 SPS=1506
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-3.33766625 -3.1888198 1.70415931] Rg = 25.456083
median bond size is 0.9697248259945138
three shortest/longest (<10)/ bonds are [0.89033082 0.89145766 0.89231371] [1.07048296 1.07864792 1.07977283]
95 percentile of distance to center is: 47.47626554012738
density of closest 95% monomers is: 0.0028738562092368958
density of the core monomers is: 0.01863251084814013
min/median/mean/max coordinates are:
x: -29.35, -6.03, -3.34, 41.46
y: -38.72, 0.04, -3.19, 27.19
z: -26.00, 2.55, 1.70, 20.54
Statistics for velocities:
mean kinetic energy is: 1.4804647158467714 should be: 1.5
fastest particles are (in kT): [6.63517797 6.66742265 7.34407844 7.40419843 9.48874126]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.504557291666668
bl=800 pos[1]=[-5.8 -7.9 -6.0] dr=1.93 t=9000.0ps kin=1.43 pot=21.52 Rg=25.427 SPS=1647
bl=801 pos[1]=[-7.8 -5.6 -2.8] dr=1.94 t=9010.0ps kin=1.52 pot=21.46 Rg=25.418 SPS=1669
bl=802 pos[1]=[-10.1 -4.0 -3.3] dr=1.85 t=9020.0ps kin=1.47 pot=21.52 Rg=25.399 SPS=1654
bl=803 pos[1]=[-10.2 -4.8 -5.5] dr=1.87 t=9030.0ps kin=1.48 pot=21.51 Rg=25.324 SPS=1652
bl=804 pos[1]=[-13.1 -4.4 -5.6] dr=1.87 t=9040.0ps kin=1.53 pot=21.54 Rg=25.333 SPS=1642
bl=805 pos[1]=[-12.7 -5.4 -7.4] dr=1.91 t=9050.0ps kin=1.53 pot=21.56 Rg=25.341 SPS=1652
bl=806 pos[1]=[-12.6 -5.5 -9.1] dr=1.95 t=9060.0ps kin=1.55 pot=21.46 Rg=25.377 SPS=1620
bl=807 pos[1]=[-13.3 -5.2 -9.7] dr=1.85 t=9070.0ps kin=1.48 pot=21.53 Rg=25.479 SPS=1639
bl=808 pos[1]=[-13.2 -6.7 -9.2] dr=1.90 t=9080.0ps kin=1.49 pot=21.49 Rg=25.533 SPS=1639
bl=809 pos[1]=[-13.9 -8.6 -10.4] dr=1.95 t=9090.0ps kin=1.47 pot=21.50 Rg=25.596 SPS=1650
bl=810 pos[1]=[-12.1 -9.2 -9.2] dr=1.93 t=9100.0ps kin=1.55 pot=21.53 Rg=25.747 SPS=1705
bl=811 pos[1]=[-11.9 -9.7 -8.0] dr=1.97 t=9110.0ps kin=1.49 pot=21.51 Rg=25.902 SPS=1636
bl=812 pos[1]=[-12.2 -8.8 -6.9] dr=1.89 t=9120.0ps kin=1.49 pot=21.51 Rg=25.951 SPS=1648
bl=813 pos[1]=[-10.7 -9.3 -7.5] dr=1.92 t=9130.0ps kin=1.53 pot=21.53 Rg=25.935 SPS=1652
bl=814 pos[1]=[-9.9 -9.0 -6.8] dr=1.94 t=9140.0ps kin=1.50 pot=21.51 Rg=25.884 SPS=1669
bl=815 pos[1]=[-8.1 -8.8 -8.6] dr=1.89 t=9150.0ps kin=1.47 pot=21.55 Rg=25.832 SPS=1652
bl=816 pos[1]=[-6.9 -8.4 -8.4] dr=1.95 t=9160.0ps kin=1.56 pot=21.50 Rg=25.740 SPS=1623
bl=817 pos[1]=[-8.3 -7.7 -8.3] dr=2.00 t=9170.0ps kin=1.48 pot=21.52 Rg=25.626 SPS=1632
bl=818 pos[1]=[-7.5 -6.8 -8.0] dr=1.96 t=9180.0ps kin=1.47 pot=21.50 Rg=25.643 SPS=1644
bl=819 pos[1]=[-10.7 -4.8 -10.7] dr=1.89 t=9190.0ps kin=1.46 pot=21.52 Rg=25.603 SPS=1614
bl=820 pos[1]=[-10.1 -5.1 -11.3] dr=1.94 t=9200.0ps kin=1.45 pot=21.47 Rg=25.619 SPS=1650
bl=821 pos[1]=[-7.9 -5.2 -12.4] dr=1.96 t=9210.0ps kin=1.51 pot=21.49 Rg=25.520 SPS=1664
bl=822 pos[1]=[-6.9 -6.5 -14.6] dr=1.96 t=9220.0ps kin=1.44 pot=21.51 Rg=25.329 SPS=1662
bl=823 pos[1]=[-6.2 -6.2 -14.1] dr=1.94 t=9230.0ps kin=1.53 pot=21.54 Rg=25.171 SPS=1645
bl=824 pos[1]=[-2.3 -11.2 -15.0] dr=1.85 t=9240.0ps kin=1.49 pot=21.54 Rg=25.054 SPS=1635
bl=825 pos[1]=[0.0 -11.4 -12.4] dr=1.91 t=9250.0ps kin=1.48 pot=21.50 Rg=25.029 SPS=1279
bl=826 pos[1]=[-1.4 -7.8 -10.4] dr=1.91 t=9260.0ps kin=1.43 pot=21.53 Rg=25.023 SPS=1309
bl=827 pos[1]=[-2.5 -6.2 -11.8] dr=1.87 t=9270.0ps kin=1.44 pot=21.53 Rg=25.025 SPS=1437
bl=828 pos[1]=[-5.9 -9.1 -11.6] dr=1.87 t=9280.0ps kin=1.51 pot=21.47 Rg=25.025 SPS=1281
bl=829 pos[1]=[-6.8 -9.0 -11.5] dr=1.85 t=9290.0ps kin=1.47 pot=21.52 Rg=25.043 SPS=1518
bl=830 pos[1]=[-10.1 -9.1 -11.9] dr=1.95 t=9300.0ps kin=1.56 pot=21.45 Rg=25.052 SPS=1631
bl=831 pos[1]=[-10.0 -9.4 -11.7] dr=1.95 t=9310.0ps kin=1.50 pot=21.52 Rg=25.065 SPS=1547
bl=832 pos[1]=[-9.2 -10.1 -13.3] dr=1.88 t=9320.0ps kin=1.47 pot=21.47 Rg=25.086 SPS=1295
bl=833 pos[1]=[-10.4 -10.3 -13.1] dr=1.86 t=9330.0ps kin=1.51 pot=21.46 Rg=25.057 SPS=1643
bl=834 pos[1]=[-11.2 -8.0 -12.7] dr=1.92 t=9340.0ps kin=1.54 pot=21.49 Rg=25.117 SPS=1602
bl=835 pos[1]=[-11.7 -6.3 -13.4] dr=1.88 t=9350.0ps kin=1.47 pot=21.53 Rg=25.159 SPS=1635
bl=836 pos[1]=[-10.3 -7.8 -13.1] dr=1.94 t=9360.0ps kin=1.57 pot=21.50 Rg=25.111 SPS=1653
bl=837 pos[1]=[-8.5 -10.0 -11.0] dr=1.90 t=9370.0ps kin=1.50 pot=21.50 Rg=25.043 SPS=1628
bl=838 pos[1]=[-8.4 -8.6 -10.2] dr=1.87 t=9380.0ps kin=1.46 pot=21.49 Rg=25.071 SPS=1656
bl=839 pos[1]=[-7.8 -8.4 -10.1] dr=1.94 t=9390.0ps kin=1.47 pot=21.51 Rg=25.234 SPS=1382
bl=840 pos[1]=[-6.9 -7.0 -14.3] dr=1.96 t=9400.0ps kin=1.54 pot=21.46 Rg=25.421 SPS=1300
bl=841 pos[1]=[-5.6 -9.5 -13.9] dr=1.96 t=9410.0ps kin=1.50 pot=21.49 Rg=25.593 SPS=1654
bl=842 pos[1]=[-5.4 -8.3 -12.8] dr=1.98 t=9420.0ps kin=1.50 pot=21.55 Rg=25.655 SPS=1640
bl=843 pos[1]=[-7.8 -3.6 -9.3] dr=1.91 t=9430.0ps kin=1.50 pot=21.45 Rg=25.652 SPS=1661
bl=844 pos[1]=[-9.9 -5.3 -7.9] dr=1.91 t=9440.0ps kin=1.49 pot=21.51 Rg=25.584 SPS=1441
bl=845 pos[1]=[-10.4 -3.1 -5.7] dr=1.89 t=9450.0ps kin=1.50 pot=21.55 Rg=25.604 SPS=1643
bl=846 pos[1]=[-8.2 -3.5 -5.7] dr=1.84 t=9460.0ps kin=1.44 pot=21.51 Rg=25.615 SPS=1638
bl=847 pos[1]=[-7.3 -6.2 -6.5] dr=1.83 t=9470.0ps kin=1.46 pot=21.48 Rg=25.591 SPS=1634
bl=848 pos[1]=[-6.4 -8.8 -6.6] dr=1.90 t=9480.0ps kin=1.49 pot=21.49 Rg=25.666 SPS=1309
bl=849 pos[1]=[-5.3 -10.0 -7.2] dr=1.92 t=9490.0ps kin=1.51 pot=21.51 Rg=25.793 SPS=1602
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-3.56696877 -2.53268868 0.958177 ] Rg = 25.792555
median bond size is 0.9675079630343029
three shortest/longest (<10)/ bonds are [0.887706 0.8885489 0.88940886] [1.08490179 1.09296575 1.0973267 ]
95 percentile of distance to center is: 48.20580513931571
density of closest 95% monomers is: 0.0027453433185626814
density of the core monomers is: 0.01521709995410056
min/median/mean/max coordinates are:
x: -30.42, -5.36, -3.57, 44.39
y: -40.37, 2.38, -2.53, 23.01
z: -20.93, 1.73, 0.96, 27.79
Statistics for velocities:
mean kinetic energy is: 1.5135966894680517 should be: 1.5
fastest particles are (in kT): [6.72251552 7.03611733 7.23230275 7.7986397 9.64643182]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51374821395649
bl=850 pos[1]=[-4.1 -12.9 -8.3] dr=1.92 t=9500.0ps kin=1.51 pot=21.49 Rg=25.857 SPS=1074
bl=851 pos[1]=[-5.9 -12.5 -9.4] dr=1.91 t=9510.0ps kin=1.46 pot=21.49 Rg=25.901 SPS=1640
bl=852 pos[1]=[-6.4 -10.4 -9.5] dr=1.89 t=9520.0ps kin=1.53 pot=21.47 Rg=25.934 SPS=1654
bl=853 pos[1]=[-5.1 -9.0 -11.9] dr=1.91 t=9530.0ps kin=1.47 pot=21.52 Rg=25.994 SPS=1356
bl=854 pos[1]=[-5.0 -7.5 -10.0] dr=1.89 t=9540.0ps kin=1.44 pot=21.52 Rg=26.017 SPS=1474
bl=855 pos[1]=[-6.5 -7.9 -10.1] dr=1.87 t=9550.0ps kin=1.51 pot=21.56 Rg=26.073 SPS=1634
bl=856 pos[1]=[-7.0 -12.4 -11.7] dr=1.91 t=9560.0ps kin=1.60 pot=21.53 Rg=26.148 SPS=1640
bl=857 pos[1]=[-3.2 -14.4 -11.9] dr=1.89 t=9570.0ps kin=1.44 pot=21.52 Rg=26.218 SPS=1645
bl=858 pos[1]=[-3.6 -13.0 -8.3] dr=1.91 t=9580.0ps kin=1.52 pot=21.52 Rg=26.254 SPS=1676
bl=859 pos[1]=[-6.8 -13.3 -7.7] dr=1.88 t=9590.0ps kin=1.49 pot=21.51 Rg=26.279 SPS=1451
bl=860 pos[1]=[-5.8 -12.9 -7.0] dr=1.91 t=9600.0ps kin=1.49 pot=21.52 Rg=26.268 SPS=1662
bl=861 pos[1]=[-7.8 -12.7 -7.6] dr=1.93 t=9610.0ps kin=1.47 pot=21.51 Rg=26.257 SPS=1625
bl=862 pos[1]=[-10.8 -12.8 -8.8] dr=1.97 t=9620.0ps kin=1.51 pot=21.53 Rg=26.232 SPS=1631
bl=863 pos[1]=[-10.3 -14.2 -11.8] dr=2.00 t=9630.0ps kin=1.51 pot=21.52 Rg=26.264 SPS=1668
bl=864 pos[1]=[-10.8 -16.4 -11.2] dr=1.96 t=9640.0ps kin=1.51 pot=21.52 Rg=26.126 SPS=1629
bl=865 pos[1]=[-13.8 -18.6 -10.9] dr=1.97 t=9650.0ps kin=1.49 pot=21.49 Rg=26.091 SPS=1647
bl=866 pos[1]=[-14.2 -19.5 -10.1] dr=1.91 t=9660.0ps kin=1.47 pot=21.50 Rg=26.129 SPS=1517
bl=867 pos[1]=[-13.3 -19.7 -12.8] dr=1.90 t=9670.0ps kin=1.55 pot=21.53 Rg=26.052 SPS=1386
bl=868 pos[1]=[-15.2 -18.3 -13.8] dr=1.96 t=9680.0ps kin=1.48 pot=21.52 Rg=25.889 SPS=1612
bl=869 pos[1]=[-16.4 -17.2 -12.0] dr=1.90 t=9690.0ps kin=1.52 pot=21.52 Rg=25.825 SPS=1672
bl=870 pos[1]=[-15.6 -18.7 -10.4] dr=1.89 t=9700.0ps kin=1.53 pot=21.51 Rg=25.820 SPS=1656
bl=871 pos[1]=[-10.9 -16.7 -11.6] dr=2.03 t=9710.0ps kin=1.45 pot=21.55 Rg=25.844 SPS=1664
bl=872 pos[1]=[-11.1 -14.9 -10.7] dr=1.95 t=9720.0ps kin=1.53 pot=21.47 Rg=25.886 SPS=1703
bl=873 pos[1]=[-13.2 -15.1 -11.0] dr=1.95 t=9730.0ps kin=1.51 pot=21.55 Rg=25.854 SPS=1674
bl=874 pos[1]=[-12.8 -16.2 -13.8] dr=1.92 t=9740.0ps kin=1.52 pot=21.52 Rg=25.944 SPS=1645
bl=875 pos[1]=[-15.0 -15.9 -12.1] dr=1.89 t=9750.0ps kin=1.52 pot=21.55 Rg=25.996 SPS=1623
bl=876 pos[1]=[-16.3 -16.6 -11.9] dr=1.91 t=9760.0ps kin=1.49 pot=21.54 Rg=25.952 SPS=1674
bl=877 pos[1]=[-14.8 -20.2 -10.3] dr=1.95 t=9770.0ps kin=1.56 pot=21.51 Rg=25.975 SPS=1652
bl=878 pos[1]=[-13.9 -21.0 -9.4] dr=1.96 t=9780.0ps kin=1.50 pot=21.52 Rg=25.890 SPS=1672
bl=879 pos[1]=[-12.6 -22.7 -11.1] dr=1.91 t=9790.0ps kin=1.45 pot=21.51 Rg=25.817 SPS=1668
bl=880 pos[1]=[-12.0 -22.4 -11.3] dr=1.94 t=9800.0ps kin=1.58 pot=21.53 Rg=25.776 SPS=1638
bl=881 pos[1]=[-15.2 -20.7 -10.5] dr=1.97 t=9810.0ps kin=1.48 pot=21.50 Rg=25.769 SPS=1664
bl=882 pos[1]=[-14.5 -19.3 -8.4] dr=1.90 t=9820.0ps kin=1.44 pot=21.53 Rg=25.708 SPS=1659
bl=883 pos[1]=[-14.6 -20.0 -8.6] dr=1.92 t=9830.0ps kin=1.51 pot=21.48 Rg=25.699 SPS=1653
bl=884 pos[1]=[-13.0 -22.5 -9.6] dr=1.89 t=9840.0ps kin=1.44 pot=21.49 Rg=25.794 SPS=1657
bl=885 pos[1]=[-11.6 -19.1 -8.3] dr=1.86 t=9850.0ps kin=1.49 pot=21.52 Rg=25.818 SPS=1647
bl=886 pos[1]=[-12.8 -18.3 -7.4] dr=1.84 t=9860.0ps kin=1.47 pot=21.51 Rg=25.823 SPS=1647
bl=887 pos[1]=[-13.0 -17.2 -7.0] dr=1.90 t=9870.0ps kin=1.51 pot=21.51 Rg=25.834 SPS=1660
bl=888 pos[1]=[-11.9 -14.3 -6.1] dr=1.89 t=9880.0ps kin=1.52 pot=21.50 Rg=25.763 SPS=1617
bl=889 pos[1]=[-9.4 -14.0 -6.3] dr=1.97 t=9890.0ps kin=1.50 pot=21.46 Rg=25.858 SPS=1664
bl=890 pos[1]=[-10.2 -10.5 -5.3] dr=1.91 t=9900.0ps kin=1.51 pot=21.47 Rg=25.840 SPS=1636
bl=891 pos[1]=[-10.2 -9.8 -7.2] dr=1.86 t=9910.0ps kin=1.46 pot=21.51 Rg=25.782 SPS=1492
bl=892 pos[1]=[-10.4 -8.2 -5.5] dr=1.90 t=9920.0ps kin=1.43 pot=21.50 Rg=25.746 SPS=1644
bl=893 pos[1]=[-13.5 -9.8 -5.2] dr=1.91 t=9930.0ps kin=1.50 pot=21.49 Rg=25.641 SPS=1617
bl=894 pos[1]=[-13.7 -11.5 -6.4] dr=1.89 t=9940.0ps kin=1.49 pot=21.48 Rg=25.675 SPS=1658
bl=895 pos[1]=[-16.9 -11.2 -8.3] dr=1.98 t=9950.0ps kin=1.53 pot=21.51 Rg=25.739 SPS=1650
bl=896 pos[1]=[-15.5 -7.6 -9.1] dr=1.95 t=9960.0ps kin=1.54 pot=21.51 Rg=25.776 SPS=1661
bl=897 pos[1]=[-13.8 -6.4 -12.6] dr=1.98 t=9970.0ps kin=1.54 pot=21.53 Rg=25.831 SPS=1640
bl=898 pos[1]=[-14.0 -7.4 -14.0] dr=1.95 t=9980.0ps kin=1.48 pot=21.50 Rg=25.795 SPS=1648
bl=899 pos[1]=[-12.5 -5.8 -12.2] dr=1.91 t=9990.0ps kin=1.43 pot=21.53 Rg=25.693 SPS=1649
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-2.43822771 -3.38058522 0.08477896] Rg = 25.69266
median bond size is 0.9693730282212278
three shortest/longest (<10)/ bonds are [0.87960827 0.88341374 0.88522515] [1.10090484 1.11036966 1.11519788]
95 percentile of distance to center is: 48.45185133847869
density of closest 95% monomers is: 0.0027037314786374418
density of the core monomers is: 0.011919161831644997
min/median/mean/max coordinates are:
x: -35.74, -3.91, -2.44, 44.22
y: -40.96, 0.12, -3.38, 23.67
z: -24.45, 1.33, 0.08, 21.99
Statistics for velocities:
mean kinetic energy is: 1.4321602067597965 should be: 1.5
fastest particles are (in kT): [6.49101777 6.52155983 6.57524899 6.57748349 6.75706486]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.534761591998524
bl=900 pos[1]=[-10.6 -4.3 -9.0] dr=1.91 t=10000.0ps kin=1.48 pot=21.54 Rg=25.560 SPS=1582
bl=901 pos[1]=[-13.6 -6.0 -8.8] dr=1.89 t=10010.0ps kin=1.53 pot=21.50 Rg=25.501 SPS=1657
bl=902 pos[1]=[-14.9 -6.3 -10.3] dr=1.97 t=10020.0ps kin=1.50 pot=21.56 Rg=25.471 SPS=1676
bl=903 pos[1]=[-15.5 -4.3 -12.0] dr=1.98 t=10030.0ps kin=1.55 pot=21.50 Rg=25.557 SPS=1650
bl=904 pos[1]=[-15.6 -5.8 -10.9] dr=1.85 t=10040.0ps kin=1.43 pot=21.52 Rg=25.631 SPS=1668
bl=905 pos[1]=[-17.3 -6.5 -12.6] dr=1.93 t=10050.0ps kin=1.47 pot=21.49 Rg=25.722 SPS=1401
bl=906 pos[1]=[-16.1 -5.2 -12.8] dr=1.94 t=10060.0ps kin=1.50 pot=21.54 Rg=25.744 SPS=1356
bl=907 pos[1]=[-15.5 -5.7 -12.4] dr=1.90 t=10070.0ps kin=1.43 pot=21.57 Rg=25.770 SPS=1411
bl=908 pos[1]=[-17.2 -5.1 -13.0] dr=1.91 t=10080.0ps kin=1.52 pot=21.48 Rg=25.639 SPS=1352
bl=909 pos[1]=[-16.3 -5.1 -14.2] dr=1.94 t=10090.0ps kin=1.47 pot=21.53 Rg=25.633 SPS=1462
bl=910 pos[1]=[-14.0 -4.7 -16.8] dr=1.93 t=10100.0ps kin=1.52 pot=21.53 Rg=25.675 SPS=1544
bl=911 pos[1]=[-15.0 -4.5 -18.3] dr=1.93 t=10110.0ps kin=1.48 pot=21.51 Rg=25.617 SPS=1633
bl=912 pos[1]=[-12.6 -6.9 -20.2] dr=1.92 t=10120.0ps kin=1.53 pot=21.54 Rg=25.547 SPS=1629
bl=913 pos[1]=[-10.1 -6.0 -19.9] dr=1.93 t=10130.0ps kin=1.50 pot=21.56 Rg=25.430 SPS=1604
bl=914 pos[1]=[-10.9 -5.7 -19.3] dr=1.92 t=10140.0ps kin=1.52 pot=21.57 Rg=25.379 SPS=1646
bl=915 pos[1]=[-11.8 -7.0 -20.0] dr=2.00 t=10150.0ps kin=1.51 pot=21.55 Rg=25.358 SPS=1498
bl=916 pos[1]=[-12.4 -5.6 -17.1] dr=1.94 t=10160.0ps kin=1.50 pot=21.51 Rg=25.293 SPS=1638
bl=917 pos[1]=[-13.5 -5.4 -13.9] dr=1.98 t=10170.0ps kin=1.51 pot=21.53 Rg=25.251 SPS=1629
bl=918 pos[1]=[-12.3 -5.7 -14.8] dr=1.93 t=10180.0ps kin=1.47 pot=21.59 Rg=25.176 SPS=1645
bl=919 pos[1]=[-13.0 -7.1 -16.2] dr=1.91 t=10190.0ps kin=1.48 pot=21.49 Rg=25.088 SPS=1688
bl=920 pos[1]=[-11.4 -4.3 -15.0] dr=1.93 t=10200.0ps kin=1.56 pot=21.47 Rg=25.059 SPS=1643
bl=921 pos[1]=[-9.0 -3.5 -11.4] dr=1.96 t=10210.0ps kin=1.53 pot=21.53 Rg=25.077 SPS=1630
bl=922 pos[1]=[-9.0 -5.5 -9.3] dr=2.00 t=10220.0ps kin=1.50 pot=21.47 Rg=25.220 SPS=1620
bl=923 pos[1]=[-9.0 -3.7 -8.4] dr=1.88 t=10230.0ps kin=1.46 pot=21.57 Rg=25.359 SPS=1630
bl=924 pos[1]=[-6.6 -1.7 -9.2] dr=1.85 t=10240.0ps kin=1.50 pot=21.55 Rg=25.377 SPS=1649
bl=925 pos[1]=[-5.6 -1.2 -11.9] dr=1.91 t=10250.0ps kin=1.47 pot=21.51 Rg=25.342 SPS=1640
bl=926 pos[1]=[-8.7 -1.4 -8.6] dr=1.91 t=10260.0ps kin=1.46 pot=21.52 Rg=25.257 SPS=1628
bl=927 pos[1]=[-7.7 -3.0 -6.5] dr=1.90 t=10270.0ps kin=1.49 pot=21.51 Rg=25.181 SPS=1650
bl=928 pos[1]=[-8.5 -3.7 -6.9] dr=1.92 t=10280.0ps kin=1.54 pot=21.50 Rg=25.068 SPS=1620
bl=929 pos[1]=[-9.4 -0.4 -9.0] dr=1.90 t=10290.0ps kin=1.49 pot=21.52 Rg=24.950 SPS=1658
bl=930 pos[1]=[-9.5 -3.5 -8.1] dr=1.96 t=10300.0ps kin=1.51 pot=21.52 Rg=24.863 SPS=1658
bl=931 pos[1]=[-10.0 -1.7 -5.5] dr=1.92 t=10310.0ps kin=1.49 pot=21.52 Rg=24.896 SPS=1653
bl=932 pos[1]=[-9.4 -2.0 -5.7] dr=1.90 t=10320.0ps kin=1.47 pot=21.51 Rg=25.033 SPS=1639
bl=933 pos[1]=[-9.2 -6.4 -5.5] dr=1.90 t=10330.0ps kin=1.46 pot=21.60 Rg=25.050 SPS=1647
bl=934 pos[1]=[-11.2 -7.3 -3.9] dr=1.88 t=10340.0ps kin=1.45 pot=21.50 Rg=25.055 SPS=1657
bl=935 pos[1]=[-11.8 -7.3 -4.0] dr=1.95 t=10350.0ps kin=1.55 pot=21.55 Rg=24.994 SPS=1659
bl=936 pos[1]=[-9.6 -7.9 -3.7] dr=1.96 t=10360.0ps kin=1.53 pot=21.51 Rg=24.980 SPS=1635
bl=937 pos[1]=[-6.9 -7.6 -6.4] dr=1.97 t=10370.0ps kin=1.51 pot=21.56 Rg=24.955 SPS=1629
bl=938 pos[1]=[-6.9 -4.2 -7.7] dr=1.94 t=10380.0ps kin=1.48 pot=21.47 Rg=24.795 SPS=1641
bl=939 pos[1]=[-6.9 -5.8 -6.9] dr=1.93 t=10390.0ps kin=1.48 pot=21.54 Rg=24.679 SPS=1643
bl=940 pos[1]=[-9.4 -8.0 -6.4] dr=1.99 t=10400.0ps kin=1.49 pot=21.53 Rg=24.710 SPS=1636
bl=941 pos[1]=[-11.7 -9.5 -5.6] dr=1.89 t=10410.0ps kin=1.50 pot=21.50 Rg=24.773 SPS=1648
bl=942 pos[1]=[-11.9 -8.0 -5.9] dr=1.94 t=10420.0ps kin=1.52 pot=21.49 Rg=24.678 SPS=1628
bl=943 pos[1]=[-11.8 -7.5 -4.5] dr=1.96 t=10430.0ps kin=1.56 pot=21.47 Rg=24.609 SPS=1631
bl=944 pos[1]=[-13.4 -6.5 -4.1] dr=1.98 t=10440.0ps kin=1.52 pot=21.52 Rg=24.637 SPS=1638
bl=945 pos[1]=[-13.3 -3.9 -3.0] dr=1.96 t=10450.0ps kin=1.55 pot=21.52 Rg=24.718 SPS=1624
bl=946 pos[1]=[-14.7 -5.5 -3.8] dr=2.00 t=10460.0ps kin=1.53 pot=21.51 Rg=24.857 SPS=1647
bl=947 pos[1]=[-12.7 -6.0 -6.1] dr=1.98 t=10470.0ps kin=1.44 pot=21.53 Rg=24.910 SPS=1698
bl=948 pos[1]=[-14.6 -6.1 -6.8] dr=1.92 t=10480.0ps kin=1.53 pot=21.51 Rg=24.877 SPS=1590
bl=949 pos[1]=[-14.9 -5.7 -6.7] dr=1.92 t=10490.0ps kin=1.49 pot=21.52 Rg=24.951 SPS=1708
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.96470208 -2.62458256 -0.23711332] Rg = 24.951187
median bond size is 0.9659239857052195
three shortest/longest (<10)/ bonds are [0.8804032 0.89118546 0.89218403] [1.08485341 1.09798702 1.10509562]
95 percentile of distance to center is: 45.891978088356026
density of closest 95% monomers is: 0.0031818840737409967
density of the core monomers is: 0.01609230873453976
min/median/mean/max coordinates are:
x: -35.24, -3.06, -1.96, 45.05
y: -36.76, 1.35, -2.62, 23.12
z: -26.47, 0.41, -0.24, 19.19
Statistics for velocities:
mean kinetic energy is: 1.4871207967635476 should be: 1.5
fastest particles are (in kT): [7.20448709 7.41302893 7.60053768 8.48937069 9.07763881]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.518940703355458
bl=950 pos[1]=[-13.4 -4.2 -5.4] dr=1.90 t=10500.0ps kin=1.47 pot=21.47 Rg=24.898 SPS=1680
bl=951 pos[1]=[-13.1 -3.6 -6.0] dr=1.95 t=10510.0ps kin=1.52 pot=21.50 Rg=24.838 SPS=1699
bl=952 pos[1]=[-12.4 -0.8 -6.2] dr=1.96 t=10520.0ps kin=1.47 pot=21.53 Rg=24.813 SPS=1704
bl=953 pos[1]=[-11.8 -3.0 -7.7] dr=1.91 t=10530.0ps kin=1.46 pot=21.56 Rg=24.749 SPS=1714
bl=954 pos[1]=[-10.5 -3.3 -7.7] dr=1.88 t=10540.0ps kin=1.48 pot=21.54 Rg=24.733 SPS=1713
bl=955 pos[1]=[-11.2 -4.7 -8.8] dr=1.97 t=10550.0ps kin=1.54 pot=21.50 Rg=24.646 SPS=1714
bl=956 pos[1]=[-8.9 -3.8 -8.8] dr=1.90 t=10560.0ps kin=1.50 pot=21.51 Rg=24.614 SPS=1688
bl=957 pos[1]=[-8.6 -0.6 -9.1] dr=1.88 t=10570.0ps kin=1.47 pot=21.53 Rg=24.651 SPS=1695
bl=958 pos[1]=[-9.9 -1.9 -6.3] dr=1.90 t=10580.0ps kin=1.47 pot=21.53 Rg=24.724 SPS=1628
bl=959 pos[1]=[-10.1 -2.7 -3.0] dr=1.97 t=10590.0ps kin=1.53 pot=21.48 Rg=24.809 SPS=1639
bl=960 pos[1]=[-10.1 -5.3 -3.5] dr=1.90 t=10600.0ps kin=1.50 pot=21.51 Rg=24.856 SPS=1656
bl=961 pos[1]=[-10.2 -7.2 -5.7] dr=1.92 t=10610.0ps kin=1.54 pot=21.51 Rg=24.878 SPS=1616
bl=962 pos[1]=[-9.7 -7.4 -5.2] dr=1.89 t=10620.0ps kin=1.54 pot=21.51 Rg=24.864 SPS=1622
bl=963 pos[1]=[-9.0 -7.2 -4.9] dr=1.93 t=10630.0ps kin=1.52 pot=21.50 Rg=24.806 SPS=1633
bl=964 pos[1]=[-8.6 -5.8 -5.8] dr=1.88 t=10640.0ps kin=1.47 pot=21.52 Rg=24.748 SPS=1650
bl=965 pos[1]=[-9.2 -1.6 -5.1] dr=1.91 t=10650.0ps kin=1.54 pot=21.51 Rg=24.639 SPS=1668
bl=966 pos[1]=[-9.9 -1.8 -7.5] dr=1.89 t=10660.0ps kin=1.45 pot=21.57 Rg=24.543 SPS=1667
bl=967 pos[1]=[-10.8 -3.5 -7.4] dr=1.88 t=10670.0ps kin=1.50 pot=21.53 Rg=24.505 SPS=1681
bl=968 pos[1]=[-9.7 -4.4 -5.2] dr=1.90 t=10680.0ps kin=1.47 pot=21.47 Rg=24.441 SPS=1648
bl=969 pos[1]=[-9.1 -6.3 -4.3] dr=1.89 t=10690.0ps kin=1.51 pot=21.53 Rg=24.423 SPS=1626
bl=970 pos[1]=[-9.8 -6.1 -5.4] dr=1.99 t=10700.0ps kin=1.53 pot=21.53 Rg=24.524 SPS=1638
bl=971 pos[1]=[-6.6 -9.7 -4.7] dr=1.93 t=10710.0ps kin=1.50 pot=21.53 Rg=24.623 SPS=1618
bl=972 pos[1]=[-5.0 -8.3 -4.2] dr=1.90 t=10720.0ps kin=1.50 pot=21.54 Rg=24.839 SPS=1654
bl=973 pos[1]=[-2.1 -6.2 -3.5] dr=1.91 t=10730.0ps kin=1.46 pot=21.51 Rg=24.970 SPS=1653
bl=974 pos[1]=[-1.2 -3.3 -2.5] dr=1.98 t=10740.0ps kin=1.50 pot=21.53 Rg=24.956 SPS=1650
bl=975 pos[1]=[-0.8 -0.9 -4.6] dr=1.88 t=10750.0ps kin=1.53 pot=21.50 Rg=25.092 SPS=1674
bl=976 pos[1]=[-2.9 -1.2 -5.6] dr=1.94 t=10760.0ps kin=1.50 pot=21.52 Rg=25.299 SPS=1667
bl=977 pos[1]=[-3.5 -4.0 -4.3] dr=2.01 t=10770.0ps kin=1.55 pot=21.54 Rg=25.398 SPS=1683
bl=978 pos[1]=[-4.6 -4.5 -4.4] dr=1.91 t=10780.0ps kin=1.42 pot=21.55 Rg=25.399 SPS=1529
bl=979 pos[1]=[-6.2 -5.1 -3.8] dr=1.98 t=10790.0ps kin=1.46 pot=21.51 Rg=25.426 SPS=1658
bl=980 pos[1]=[-4.8 -3.7 -0.2] dr=1.95 t=10800.0ps kin=1.50 pot=21.51 Rg=25.427 SPS=1623
bl=981 pos[1]=[-5.4 -4.6 1.1] dr=1.93 t=10810.0ps kin=1.51 pot=21.53 Rg=25.379 SPS=1632
bl=982 pos[1]=[-5.7 -5.7 1.0] dr=1.92 t=10820.0ps kin=1.50 pot=21.53 Rg=25.448 SPS=1630
bl=983 pos[1]=[-5.5 -5.9 0.3] dr=1.95 t=10830.0ps kin=1.45 pot=21.54 Rg=25.429 SPS=1666
bl=984 pos[1]=[-6.8 -6.1 1.2] dr=1.93 t=10840.0ps kin=1.52 pot=21.54 Rg=25.323 SPS=1656
bl=985 pos[1]=[-6.9 -4.4 -0.3] dr=1.93 t=10850.0ps kin=1.55 pot=21.57 Rg=25.210 SPS=1653
bl=986 pos[1]=[-9.5 -5.9 -0.6] dr=1.92 t=10860.0ps kin=1.54 pot=21.58 Rg=25.160 SPS=1643
bl=987 pos[1]=[-8.2 -6.2 -1.2] dr=2.01 t=10870.0ps kin=1.55 pot=21.46 Rg=25.107 SPS=1632
bl=988 pos[1]=[-5.1 -7.4 -0.9] dr=1.95 t=10880.0ps kin=1.49 pot=21.53 Rg=25.057 SPS=1655
bl=989 pos[1]=[-5.9 -6.1 -3.3] dr=1.96 t=10890.0ps kin=1.52 pot=21.53 Rg=25.004 SPS=1637
bl=990 pos[1]=[-4.7 -7.8 -6.1] dr=1.97 t=10900.0ps kin=1.57 pot=21.52 Rg=25.003 SPS=1667
bl=991 pos[1]=[-5.8 -9.1 -4.9] dr=1.92 t=10910.0ps kin=1.50 pot=21.53 Rg=25.056 SPS=1646
bl=992 pos[1]=[-6.5 -12.6 -4.5] dr=1.90 t=10920.0ps kin=1.45 pot=21.50 Rg=25.043 SPS=1665
bl=993 pos[1]=[-6.6 -11.3 -4.9] dr=1.95 t=10930.0ps kin=1.49 pot=21.50 Rg=25.094 SPS=1258
bl=994 pos[1]=[-6.8 -11.7 -4.3] dr=1.93 t=10940.0ps kin=1.53 pot=21.53 Rg=25.052 SPS=1665
bl=995 pos[1]=[-7.0 -11.0 -0.4] dr=1.94 t=10950.0ps kin=1.53 pot=21.52 Rg=25.013 SPS=1664
bl=996 pos[1]=[-5.3 -10.8 0.2] dr=1.99 t=10960.0ps kin=1.54 pot=21.52 Rg=25.096 SPS=1468
bl=997 pos[1]=[-6.1 -9.2 -2.1] dr=1.96 t=10970.0ps kin=1.52 pot=21.50 Rg=25.112 SPS=1599
bl=998 pos[1]=[-3.0 -7.6 0.1] dr=1.96 t=10980.0ps kin=1.50 pot=21.48 Rg=25.069 SPS=1614
bl=999 pos[1]=[-5.0 -11.4 0.5] dr=1.98 t=10990.0ps kin=1.48 pot=21.54 Rg=25.069 SPS=1597
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.95656206 -3.32861185 0.00960527] Rg = 25.068647
median bond size is 0.9686859089186141
three shortest/longest (<10)/ bonds are [0.88693552 0.89078314 0.8921243 ] [1.08956559 1.09745307 1.10632173]
95 percentile of distance to center is: 44.113162304414864
density of closest 95% monomers is: 0.003582532262178533
density of the core monomers is: 0.020356495518184307
min/median/mean/max coordinates are:
x: -33.07, -1.58, -0.96, 43.56
y: -37.28, -0.47, -3.33, 25.90
z: -23.30, 1.08, 0.01, 21.96
Statistics for velocities:
mean kinetic energy is: 1.48442495630742 should be: 1.5
fastest particles are (in kT): [ 7.03813415 7.94722002 8.49750315 9.15070537 10.67988729]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.535998859236724
bl=1000 pos[1]=[-8.3 -12.9 2.5] dr=1.94 t=11000.0ps kin=1.53 pot=21.52 Rg=25.029 SPS=1602
bl=1001 pos[1]=[-9.8 -15.7 4.1] dr=1.94 t=11010.0ps kin=1.46 pot=21.55 Rg=25.026 SPS=1608
bl=1002 pos[1]=[-9.8 -17.2 5.6] dr=1.87 t=11020.0ps kin=1.49 pot=21.51 Rg=25.075 SPS=1631
bl=1003 pos[1]=[-10.5 -16.6 4.4] dr=1.87 t=11030.0ps kin=1.52 pot=21.48 Rg=25.220 SPS=1601
bl=1004 pos[1]=[-8.8 -16.3 6.7] dr=1.95 t=11040.0ps kin=1.49 pot=21.54 Rg=25.258 SPS=1586
bl=1005 pos[1]=[-8.5 -14.1 7.4] dr=1.94 t=11050.0ps kin=1.47 pot=21.54 Rg=25.277 SPS=1613
bl=1006 pos[1]=[-9.6 -13.9 8.8] dr=1.90 t=11060.0ps kin=1.50 pot=21.48 Rg=25.384 SPS=1635
bl=1007 pos[1]=[-8.9 -13.8 9.8] dr=1.92 t=11070.0ps kin=1.46 pot=21.51 Rg=25.337 SPS=1677
bl=1008 pos[1]=[-9.3 -13.8 10.0] dr=1.87 t=11080.0ps kin=1.51 pot=21.49 Rg=25.324 SPS=1524
bl=1009 pos[1]=[-7.8 -13.7 9.6] dr=1.86 t=11090.0ps kin=1.53 pot=21.53 Rg=25.323 SPS=1622
bl=1010 pos[1]=[-8.6 -15.0 7.8] dr=1.95 t=11100.0ps kin=1.46 pot=21.55 Rg=25.307 SPS=1664
bl=1011 pos[1]=[-6.9 -14.7 7.7] dr=1.90 t=11110.0ps kin=1.52 pot=21.48 Rg=25.431 SPS=1649
bl=1012 pos[1]=[-6.3 -13.8 5.5] dr=1.87 t=11120.0ps kin=1.46 pot=21.49 Rg=25.459 SPS=1675
bl=1013 pos[1]=[-6.1 -13.4 4.2] dr=1.96 t=11130.0ps kin=1.47 pot=21.48 Rg=25.394 SPS=1697
bl=1014 pos[1]=[-6.4 -13.6 4.9] dr=1.91 t=11140.0ps kin=1.49 pot=21.48 Rg=25.389 SPS=1713
bl=1015 pos[1]=[-4.5 -12.4 5.7] dr=1.83 t=11150.0ps kin=1.49 pot=21.48 Rg=25.494 SPS=1709
bl=1016 pos[1]=[-4.8 -9.4 4.4] dr=1.86 t=11160.0ps kin=1.52 pot=21.52 Rg=25.586 SPS=1663
bl=1017 pos[1]=[-4.8 -8.3 6.3] dr=1.92 t=11170.0ps kin=1.55 pot=21.50 Rg=25.749 SPS=1679
bl=1018 pos[1]=[-4.4 -7.9 6.0] dr=1.84 t=11180.0ps kin=1.48 pot=21.53 Rg=25.811 SPS=1668
bl=1019 pos[1]=[-2.9 -10.9 6.6] dr=1.94 t=11190.0ps kin=1.51 pot=21.52 Rg=25.846 SPS=1645
bl=1020 pos[1]=[-4.2 -11.3 5.4] dr=1.93 t=11200.0ps kin=1.52 pot=21.52 Rg=25.904 SPS=1650
bl=1021 pos[1]=[-3.9 -11.4 6.2] dr=1.90 t=11210.0ps kin=1.54 pot=21.50 Rg=25.925 SPS=1631
bl=1022 pos[1]=[-3.0 -10.7 3.8] dr=1.92 t=11220.0ps kin=1.49 pot=21.56 Rg=25.879 SPS=1654
bl=1023 pos[1]=[-2.8 -10.2 4.3] dr=1.95 t=11230.0ps kin=1.50 pot=21.50 Rg=25.906 SPS=1669
bl=1024 pos[1]=[-1.6 -11.4 4.3] dr=2.02 t=11240.0ps kin=1.54 pot=21.57 Rg=25.954 SPS=1685
bl=1025 pos[1]=[-4.4 -11.3 3.6] dr=1.94 t=11250.0ps kin=1.54 pot=21.55 Rg=26.060 SPS=1677
bl=1026 pos[1]=[-3.3 -12.2 4.6] dr=1.92 t=11260.0ps kin=1.56 pot=21.51 Rg=26.140 SPS=1591
bl=1027 pos[1]=[-2.6 -13.5 3.8] dr=1.97 t=11270.0ps kin=1.50 pot=21.52 Rg=26.184 SPS=1681
bl=1028 pos[1]=[-0.3 -9.4 7.1] dr=1.96 t=11280.0ps kin=1.55 pot=21.49 Rg=26.237 SPS=1658
bl=1029 pos[1]=[0.2 -9.2 6.4] dr=1.92 t=11290.0ps kin=1.52 pot=21.50 Rg=26.208 SPS=1659
bl=1030 pos[1]=[0.2 -11.5 8.8] dr=1.85 t=11300.0ps kin=1.49 pot=21.54 Rg=26.081 SPS=1623
bl=1031 pos[1]=[0.2 -13.5 10.4] dr=1.84 t=11310.0ps kin=1.48 pot=21.52 Rg=25.950 SPS=1639
bl=1032 pos[1]=[0.2 -13.4 10.0] dr=1.88 t=11320.0ps kin=1.51 pot=21.49 Rg=25.846 SPS=1627
bl=1033 pos[1]=[0.4 -12.5 7.9] dr=1.95 t=11330.0ps kin=1.47 pot=21.52 Rg=25.819 SPS=1639
bl=1034 pos[1]=[1.6 -12.1 7.1] dr=1.90 t=11340.0ps kin=1.53 pot=21.51 Rg=25.893 SPS=1666
bl=1035 pos[1]=[4.3 -12.1 6.6] dr=1.91 t=11350.0ps kin=1.49 pot=21.50 Rg=25.937 SPS=1655
bl=1036 pos[1]=[3.4 -9.9 7.2] dr=1.96 t=11360.0ps kin=1.47 pot=21.55 Rg=25.973 SPS=1656
bl=1037 pos[1]=[1.2 -9.6 8.5] dr=1.91 t=11370.0ps kin=1.61 pot=21.59 Rg=26.028 SPS=1653
bl=1038 pos[1]=[1.4 -9.2 10.1] dr=1.99 t=11380.0ps kin=1.57 pot=21.50 Rg=26.028 SPS=1651
bl=1039 pos[1]=[3.0 -9.6 8.1] dr=2.00 t=11390.0ps kin=1.51 pot=21.53 Rg=25.924 SPS=1668
bl=1040 pos[1]=[2.0 -8.1 6.8] dr=1.90 t=11400.0ps kin=1.45 pot=21.53 Rg=25.883 SPS=1519
bl=1041 pos[1]=[5.2 -8.7 3.5] dr=1.90 t=11410.0ps kin=1.48 pot=21.50 Rg=25.898 SPS=1689
bl=1042 pos[1]=[6.0 -11.2 5.0] dr=1.94 t=11420.0ps kin=1.52 pot=21.51 Rg=25.854 SPS=1708
bl=1043 pos[1]=[2.5 -10.8 3.4] dr=1.99 t=11430.0ps kin=1.52 pot=21.48 Rg=25.903 SPS=1687
bl=1044 pos[1]=[2.0 -10.5 3.3] dr=1.89 t=11440.0ps kin=1.51 pot=21.51 Rg=25.974 SPS=1694
bl=1045 pos[1]=[1.2 -9.5 2.2] dr=1.91 t=11450.0ps kin=1.50 pot=21.45 Rg=25.941 SPS=1736
bl=1046 pos[1]=[-1.6 -9.0 6.3] dr=1.89 t=11460.0ps kin=1.49 pot=21.55 Rg=25.902 SPS=1731
bl=1047 pos[1]=[0.8 -5.8 6.6] dr=1.91 t=11470.0ps kin=1.52 pot=21.46 Rg=25.856 SPS=1697
bl=1048 pos[1]=[1.0 -6.6 5.2] dr=1.92 t=11480.0ps kin=1.53 pot=21.47 Rg=25.840 SPS=1738
bl=1049 pos[1]=[2.2 -8.8 3.3] dr=1.91 t=11490.0ps kin=1.47 pot=21.51 Rg=25.943 SPS=1748
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.16056495 -2.81748913 -0.36556293] Rg = 25.942974
median bond size is 0.9683758136268953
three shortest/longest (<10)/ bonds are [0.88734501 0.88953017 0.89089881] [1.09347296 1.09351214 1.09370062]
95 percentile of distance to center is: 42.137502767881344
density of closest 95% monomers is: 0.004110439906748138
density of the core monomers is: 0.010689275736268527
min/median/mean/max coordinates are:
x: -32.29, 0.36, -0.16, 45.65
y: -35.09, 2.52, -2.82, 19.60
z: -25.75, 1.59, -0.37, 21.59
Statistics for velocities:
mean kinetic energy is: 1.4720011389440295 should be: 1.5
fastest particles are (in kT): [5.9012463 6.09363602 6.19440434 6.5882533 7.00121591]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.510903507558996
bl=1050 pos[1]=[3.5 -8.8 4.0] dr=1.97 t=11500.0ps kin=1.55 pot=21.54 Rg=26.001 SPS=1737
bl=1051 pos[1]=[2.8 -7.8 4.3] dr=1.93 t=11510.0ps kin=1.48 pot=21.52 Rg=25.933 SPS=1715
bl=1052 pos[1]=[0.5 -7.7 7.6] dr=1.92 t=11520.0ps kin=1.47 pot=21.51 Rg=25.889 SPS=1726
bl=1053 pos[1]=[1.6 -8.1 6.4] dr=1.88 t=11530.0ps kin=1.52 pot=21.48 Rg=25.946 SPS=1736
bl=1054 pos[1]=[2.7 -7.3 8.2] dr=1.90 t=11540.0ps kin=1.53 pot=21.50 Rg=25.988 SPS=1737
bl=1055 pos[1]=[4.7 -5.4 7.2] dr=1.89 t=11550.0ps kin=1.51 pot=21.48 Rg=26.145 SPS=1733
bl=1056 pos[1]=[4.5 -6.5 8.5] dr=1.95 t=11560.0ps kin=1.47 pot=21.52 Rg=26.267 SPS=1745
bl=1057 pos[1]=[1.6 -3.5 9.4] dr=1.89 t=11570.0ps kin=1.47 pot=21.48 Rg=26.337 SPS=1714
bl=1058 pos[1]=[-1.6 -3.1 10.2] dr=1.87 t=11580.0ps kin=1.52 pot=21.51 Rg=26.363 SPS=1682
bl=1059 pos[1]=[-3.0 -3.6 10.9] dr=1.91 t=11590.0ps kin=1.54 pot=21.54 Rg=26.355 SPS=1720
bl=1060 pos[1]=[-5.5 -3.8 11.5] dr=2.03 t=11600.0ps kin=1.56 pot=21.51 Rg=26.333 SPS=1672
bl=1061 pos[1]=[-5.3 -2.4 11.4] dr=2.00 t=11610.0ps kin=1.54 pot=21.54 Rg=26.241 SPS=1705
bl=1062 pos[1]=[-4.5 -4.9 9.6] dr=1.97 t=11620.0ps kin=1.51 pot=21.51 Rg=26.163 SPS=1740
bl=1063 pos[1]=[-5.0 -4.4 9.1] dr=1.95 t=11630.0ps kin=1.45 pot=21.48 Rg=26.283 SPS=1689
bl=1064 pos[1]=[-5.4 -5.8 10.1] dr=1.98 t=11640.0ps kin=1.46 pot=21.53 Rg=26.478 SPS=1685
bl=1065 pos[1]=[-6.8 -4.6 7.9] dr=1.96 t=11650.0ps kin=1.48 pot=21.47 Rg=26.666 SPS=1692
bl=1066 pos[1]=[-7.1 -1.8 5.8] dr=1.92 t=11660.0ps kin=1.52 pot=21.51 Rg=26.813 SPS=1713
bl=1067 pos[1]=[-7.3 -0.8 6.0] dr=1.96 t=11670.0ps kin=1.52 pot=21.49 Rg=26.886 SPS=1687
bl=1068 pos[1]=[-7.6 -3.0 6.2] dr=1.92 t=11680.0ps kin=1.45 pot=21.51 Rg=26.833 SPS=1704
bl=1069 pos[1]=[-7.4 -2.2 5.3] dr=1.91 t=11690.0ps kin=1.54 pot=21.51 Rg=26.863 SPS=1691
bl=1070 pos[1]=[-7.7 -1.9 4.1] dr=1.93 t=11700.0ps kin=1.48 pot=21.51 Rg=26.895 SPS=1678
bl=1071 pos[1]=[-8.6 -0.6 4.7] dr=1.97 t=11710.0ps kin=1.53 pot=21.48 Rg=26.878 SPS=1535
bl=1072 pos[1]=[-6.8 -1.0 0.5] dr=2.03 t=11720.0ps kin=1.56 pot=21.47 Rg=26.774 SPS=1682
bl=1073 pos[1]=[-4.7 -1.9 0.1] dr=1.93 t=11730.0ps kin=1.46 pot=21.47 Rg=26.616 SPS=1698
bl=1074 pos[1]=[-5.6 -0.0 -3.0] dr=1.91 t=11740.0ps kin=1.49 pot=21.50 Rg=26.567 SPS=1680
bl=1075 pos[1]=[-4.3 0.1 -0.2] dr=1.92 t=11750.0ps kin=1.47 pot=21.51 Rg=26.558 SPS=1700
bl=1076 pos[1]=[-2.2 -0.5 1.5] dr=1.87 t=11760.0ps kin=1.51 pot=21.47 Rg=26.571 SPS=1731
bl=1077 pos[1]=[-3.4 -1.0 1.3] dr=1.95 t=11770.0ps kin=1.52 pot=21.51 Rg=26.616 SPS=1725
bl=1078 pos[1]=[-1.5 -3.1 1.3] dr=2.00 t=11780.0ps kin=1.52 pot=21.50 Rg=26.736 SPS=1736
bl=1079 pos[1]=[0.5 -5.3 2.3] dr=1.92 t=11790.0ps kin=1.47 pot=21.52 Rg=26.739 SPS=1710
bl=1080 pos[1]=[-0.8 -8.2 4.1] dr=1.95 t=11800.0ps kin=1.53 pot=21.47 Rg=26.610 SPS=1706
bl=1081 pos[1]=[1.8 -7.2 4.9] dr=1.94 t=11810.0ps kin=1.54 pot=21.52 Rg=26.446 SPS=1684
bl=1082 pos[1]=[5.7 -9.2 5.2] dr=1.92 t=11820.0ps kin=1.55 pot=21.51 Rg=26.409 SPS=1679
bl=1083 pos[1]=[5.5 -10.7 4.8] dr=1.92 t=11830.0ps kin=1.54 pot=21.51 Rg=26.500 SPS=1693
bl=1084 pos[1]=[5.0 -10.4 2.6] dr=1.87 t=11840.0ps kin=1.55 pot=21.53 Rg=26.595 SPS=1664
bl=1085 pos[1]=[5.2 -10.6 2.1] dr=1.88 t=11850.0ps kin=1.53 pot=21.60 Rg=26.729 SPS=1689
bl=1086 pos[1]=[4.7 -9.0 2.4] dr=1.88 t=11860.0ps kin=1.50 pot=21.53 Rg=26.758 SPS=1678
bl=1087 pos[1]=[7.1 -8.7 5.0] dr=1.95 t=11870.0ps kin=1.49 pot=21.54 Rg=26.817 SPS=1746
bl=1088 pos[1]=[6.6 -9.4 4.9] dr=1.97 t=11880.0ps kin=1.54 pot=21.51 Rg=26.749 SPS=1755
bl=1089 pos[1]=[6.2 -12.0 3.4] dr=1.95 t=11890.0ps kin=1.52 pot=21.49 Rg=26.578 SPS=1715
bl=1090 pos[1]=[4.3 -14.6 4.2] dr=1.91 t=11900.0ps kin=1.50 pot=21.48 Rg=26.486 SPS=1730
bl=1091 pos[1]=[3.3 -13.5 5.2] dr=1.95 t=11910.0ps kin=1.48 pot=21.52 Rg=26.409 SPS=1736
bl=1092 pos[1]=[4.2 -15.9 5.3] dr=1.91 t=11920.0ps kin=1.54 pot=21.52 Rg=26.372 SPS=1717
bl=1093 pos[1]=[3.5 -18.0 5.5] dr=2.01 t=11930.0ps kin=1.45 pot=21.56 Rg=26.256 SPS=1724
bl=1094 pos[1]=[2.2 -19.8 4.8] dr=1.87 t=11940.0ps kin=1.46 pot=21.52 Rg=26.133 SPS=1700
bl=1095 pos[1]=[-2.2 -20.2 4.2] dr=1.94 t=11950.0ps kin=1.48 pot=21.51 Rg=26.117 SPS=1730
bl=1096 pos[1]=[-3.4 -20.2 3.9] dr=1.95 t=11960.0ps kin=1.47 pot=21.49 Rg=26.114 SPS=1689
bl=1097 pos[1]=[-2.3 -22.0 2.5] dr=1.95 t=11970.0ps kin=1.52 pot=21.49 Rg=26.097 SPS=1711
bl=1098 pos[1]=[-1.4 -19.7 2.4] dr=1.93 t=11980.0ps kin=1.47 pot=21.48 Rg=26.222 SPS=1713
bl=1099 pos[1]=[-2.1 -20.8 5.2] dr=1.87 t=11990.0ps kin=1.48 pot=21.55 Rg=26.187 SPS=1730
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.92862914 -3.64834365 -0.10812583] Rg = 26.18712
median bond size is 0.9678667915021487
three shortest/longest (<10)/ bonds are [0.88065963 0.88879898 0.89164845] [1.07179567 1.08402509 1.10962157]
95 percentile of distance to center is: 44.077042681973744
density of closest 95% monomers is: 0.0035913467678076066
density of the core monomers is: 0.013262549701872715
min/median/mean/max coordinates are:
x: -33.32, 0.05, 0.93, 43.42
y: -34.76, 1.06, -3.65, 23.88
z: -23.93, 0.65, -0.11, 23.05
Statistics for velocities:
mean kinetic energy is: 1.4808214659791676 should be: 1.5
fastest particles are (in kT): [6.54447605 6.56864178 6.69654638 7.61016495 8.08083541]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.54845795307891
bl=1100 pos[1]=[-1.4 -19.4 7.2] dr=1.82 t=12000.0ps kin=1.49 pot=21.50 Rg=26.115 SPS=1724
bl=1101 pos[1]=[-1.8 -19.3 7.3] dr=1.92 t=12010.0ps kin=1.52 pot=21.54 Rg=26.129 SPS=1746
bl=1102 pos[1]=[-3.3 -21.0 5.3] dr=1.96 t=12020.0ps kin=1.56 pot=21.48 Rg=26.118 SPS=1721
bl=1103 pos[1]=[-2.6 -22.6 5.8] dr=1.93 t=12030.0ps kin=1.49 pot=21.51 Rg=26.011 SPS=1731
bl=1104 pos[1]=[-1.7 -22.2 8.3] dr=1.94 t=12040.0ps kin=1.50 pot=21.50 Rg=25.999 SPS=1570
bl=1105 pos[1]=[-1.7 -20.5 8.2] dr=1.95 t=12050.0ps kin=1.44 pot=21.49 Rg=26.042 SPS=1713
bl=1106 pos[1]=[0.5 -19.7 9.1] dr=1.91 t=12060.0ps kin=1.44 pot=21.52 Rg=26.053 SPS=1709
bl=1107 pos[1]=[-0.2 -20.3 8.5] dr=1.95 t=12070.0ps kin=1.44 pot=21.50 Rg=26.083 SPS=1707
bl=1108 pos[1]=[-0.4 -20.1 8.1] dr=1.92 t=12080.0ps kin=1.52 pot=21.50 Rg=26.128 SPS=1696
bl=1109 pos[1]=[2.1 -21.0 10.0] dr=1.99 t=12090.0ps kin=1.49 pot=21.50 Rg=26.110 SPS=1670
bl=1110 pos[1]=[0.5 -22.0 8.3] dr=1.93 t=12100.0ps kin=1.51 pot=21.51 Rg=26.052 SPS=1643
bl=1111 pos[1]=[0.6 -24.0 6.9] dr=1.90 t=12110.0ps kin=1.50 pot=21.49 Rg=26.050 SPS=1657
bl=1112 pos[1]=[0.7 -22.6 6.3] dr=1.86 t=12120.0ps kin=1.46 pot=21.57 Rg=26.006 SPS=1676
bl=1113 pos[1]=[1.8 -22.8 4.6] dr=1.99 t=12130.0ps kin=1.50 pot=21.50 Rg=25.900 SPS=1638
bl=1114 pos[1]=[4.2 -21.7 3.9] dr=2.02 t=12140.0ps kin=1.48 pot=21.47 Rg=25.739 SPS=1637
bl=1115 pos[1]=[3.3 -21.1 4.8] dr=1.95 t=12150.0ps kin=1.54 pot=21.46 Rg=25.550 SPS=1639
bl=1116 pos[1]=[3.5 -18.9 2.6] dr=1.92 t=12160.0ps kin=1.49 pot=21.53 Rg=25.495 SPS=1639
bl=1117 pos[1]=[0.8 -20.2 6.7] dr=1.88 t=12170.0ps kin=1.53 pot=21.54 Rg=25.495 SPS=1637
bl=1118 pos[1]=[-0.1 -20.0 7.3] dr=2.01 t=12180.0ps kin=1.56 pot=21.53 Rg=25.520 SPS=1641
bl=1119 pos[1]=[-0.2 -20.8 8.1] dr=1.93 t=12190.0ps kin=1.52 pot=21.53 Rg=25.550 SPS=1649
bl=1120 pos[1]=[2.5 -20.6 5.7] dr=1.92 t=12200.0ps kin=1.52 pot=21.50 Rg=25.647 SPS=1665
bl=1121 pos[1]=[4.0 -18.6 6.3] dr=1.94 t=12210.0ps kin=1.49 pot=21.51 Rg=25.695 SPS=1636
bl=1122 pos[1]=[3.0 -20.2 4.6] dr=1.93 t=12220.0ps kin=1.54 pot=21.51 Rg=25.807 SPS=1621
bl=1123 pos[1]=[1.4 -19.3 5.8] dr=1.88 t=12230.0ps kin=1.51 pot=21.47 Rg=25.849 SPS=1660
bl=1124 pos[1]=[-0.1 -17.6 2.7] dr=1.94 t=12240.0ps kin=1.46 pot=21.52 Rg=25.908 SPS=1636
bl=1125 pos[1]=[0.4 -17.9 0.7] dr=1.91 t=12250.0ps kin=1.45 pot=21.51 Rg=25.946 SPS=1616
bl=1126 pos[1]=[-0.6 -21.2 1.0] dr=1.91 t=12260.0ps kin=1.48 pot=21.48 Rg=25.862 SPS=1645
bl=1127 pos[1]=[-1.3 -20.7 1.8] dr=1.96 t=12270.0ps kin=1.47 pot=21.49 Rg=25.872 SPS=1633
bl=1128 pos[1]=[-0.9 -21.7 3.0] dr=1.97 t=12280.0ps kin=1.51 pot=21.49 Rg=25.972 SPS=1671
bl=1129 pos[1]=[-3.8 -22.7 3.2] dr=1.98 t=12290.0ps kin=1.51 pot=21.48 Rg=26.057 SPS=1703
bl=1130 pos[1]=[-2.6 -22.1 5.6] dr=1.99 t=12300.0ps kin=1.46 pot=21.55 Rg=26.031 SPS=1647
bl=1131 pos[1]=[-4.2 -21.0 3.9] dr=1.94 t=12310.0ps kin=1.46 pot=21.56 Rg=26.023 SPS=1648
bl=1132 pos[1]=[-4.5 -25.0 2.7] dr=1.94 t=12320.0ps kin=1.48 pot=21.50 Rg=26.060 SPS=1639
bl=1133 pos[1]=[-4.1 -23.1 1.9] dr=1.86 t=12330.0ps kin=1.46 pot=21.53 Rg=26.038 SPS=1629
bl=1134 pos[1]=[-1.7 -23.2 2.5] dr=1.98 t=12340.0ps kin=1.53 pot=21.52 Rg=26.058 SPS=1636
bl=1135 pos[1]=[-2.4 -20.3 4.1] dr=1.96 t=12350.0ps kin=1.52 pot=21.49 Rg=26.134 SPS=1655
bl=1136 pos[1]=[-1.8 -21.6 3.6] dr=1.89 t=12360.0ps kin=1.49 pot=21.51 Rg=26.253 SPS=1240
bl=1137 pos[1]=[0.5 -20.7 5.7] dr=1.84 t=12370.0ps kin=1.48 pot=21.53 Rg=26.243 SPS=1613
bl=1138 pos[1]=[1.9 -21.9 7.9] dr=1.90 t=12380.0ps kin=1.47 pot=21.45 Rg=26.409 SPS=1630
bl=1139 pos[1]=[1.6 -18.4 9.2] dr=1.92 t=12390.0ps kin=1.44 pot=21.50 Rg=26.460 SPS=1629
bl=1140 pos[1]=[-1.4 -18.5 11.0] dr=2.02 t=12400.0ps kin=1.50 pot=21.50 Rg=26.522 SPS=1505
bl=1141 pos[1]=[-0.7 -17.2 10.0] dr=1.94 t=12410.0ps kin=1.48 pot=21.52 Rg=26.567 SPS=1489
bl=1142 pos[1]=[0.6 -16.1 8.0] dr=1.89 t=12420.0ps kin=1.48 pot=21.54 Rg=26.652 SPS=1622
bl=1143 pos[1]=[0.4 -13.5 6.0] dr=1.93 t=12430.0ps kin=1.54 pot=21.47 Rg=26.730 SPS=1615
bl=1144 pos[1]=[2.0 -13.3 3.7] dr=1.95 t=12440.0ps kin=1.50 pot=21.49 Rg=26.868 SPS=1625
bl=1145 pos[1]=[2.6 -11.8 4.5] dr=1.91 t=12450.0ps kin=1.45 pot=21.53 Rg=27.086 SPS=1646
bl=1146 pos[1]=[2.1 -12.2 4.1] dr=1.96 t=12460.0ps kin=1.51 pot=21.48 Rg=27.283 SPS=1654
bl=1147 pos[1]=[1.7 -9.9 6.1] dr=1.94 t=12470.0ps kin=1.51 pot=21.51 Rg=27.392 SPS=1652
bl=1148 pos[1]=[0.1 -8.2 5.1] dr=1.93 t=12480.0ps kin=1.48 pot=21.51 Rg=27.418 SPS=1623
bl=1149 pos[1]=[0.6 -10.0 7.5] dr=1.83 t=12490.0ps kin=1.45 pot=21.51 Rg=27.423 SPS=1651
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 2.01317093 -2.78778823 0.1164843 ] Rg = 27.422785
median bond size is 0.9676329561885583
three shortest/longest (<10)/ bonds are [0.88511019 0.88910465 0.89174518] [1.09034109 1.09412438 1.0976918 ]
95 percentile of distance to center is: 47.141394792746915
density of closest 95% monomers is: 0.002935535937029961
density of the core monomers is: 0.006813711416658218
min/median/mean/max coordinates are:
x: -28.68, -0.58, 2.01, 46.66
y: -37.38, 1.00, -2.79, 23.93
z: -25.66, 2.06, 0.12, 21.45
Statistics for velocities:
mean kinetic energy is: 1.4488633906687811 should be: 1.5
fastest particles are (in kT): [6.45931566 6.71937345 6.7741339 7.16148569 7.73440884]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51082860896018
bl=1150 pos[1]=[-1.2 -10.2 5.1] dr=1.86 t=12500.0ps kin=1.48 pot=21.51 Rg=27.505 SPS=1662
bl=1151 pos[1]=[0.3 -13.4 3.5] dr=1.93 t=12510.0ps kin=1.49 pot=21.56 Rg=27.438 SPS=1652
bl=1152 pos[1]=[2.8 -11.8 5.8] dr=1.89 t=12520.0ps kin=1.49 pot=21.47 Rg=27.511 SPS=1650
bl=1153 pos[1]=[3.6 -10.8 5.8] dr=1.89 t=12530.0ps kin=1.53 pot=21.53 Rg=27.480 SPS=1666
bl=1154 pos[1]=[2.3 -9.0 1.9] dr=1.94 t=12540.0ps kin=1.49 pot=21.57 Rg=27.440 SPS=1428
bl=1155 pos[1]=[3.5 -11.0 0.9] dr=1.87 t=12550.0ps kin=1.50 pot=21.53 Rg=27.443 SPS=1667
bl=1156 pos[1]=[3.8 -11.8 3.4] dr=1.91 t=12560.0ps kin=1.53 pot=21.49 Rg=27.418 SPS=1627
bl=1157 pos[1]=[1.6 -13.3 3.1] dr=1.91 t=12570.0ps kin=1.46 pot=21.55 Rg=27.329 SPS=1292
bl=1158 pos[1]=[2.3 -16.1 3.7] dr=1.92 t=12580.0ps kin=1.56 pot=21.54 Rg=27.264 SPS=1519
bl=1159 pos[1]=[1.1 -18.0 3.1] dr=1.88 t=12590.0ps kin=1.55 pot=21.53 Rg=27.233 SPS=1662
bl=1160 pos[1]=[-0.0 -16.2 1.9] dr=1.92 t=12600.0ps kin=1.50 pot=21.56 Rg=27.218 SPS=1674
bl=1161 pos[1]=[0.2 -15.5 2.2] dr=1.95 t=12610.0ps kin=1.50 pot=21.58 Rg=27.167 SPS=1691
bl=1162 pos[1]=[1.1 -14.4 2.7] dr=1.91 t=12620.0ps kin=1.47 pot=21.53 Rg=27.199 SPS=1694
bl=1163 pos[1]=[3.5 -14.1 1.0] dr=1.92 t=12630.0ps kin=1.51 pot=21.51 Rg=27.243 SPS=1663
bl=1164 pos[1]=[2.0 -13.9 -1.1] dr=1.87 t=12640.0ps kin=1.50 pot=21.53 Rg=27.220 SPS=1635
bl=1165 pos[1]=[0.9 -14.2 -2.5] dr=1.97 t=12650.0ps kin=1.49 pot=21.53 Rg=27.202 SPS=1652
bl=1166 pos[1]=[1.6 -16.1 0.5] dr=1.93 t=12660.0ps kin=1.49 pot=21.50 Rg=27.248 SPS=1465
bl=1167 pos[1]=[2.0 -12.7 -1.6] dr=1.91 t=12670.0ps kin=1.45 pot=21.50 Rg=27.235 SPS=1684
bl=1168 pos[1]=[1.8 -10.3 -2.0] dr=1.87 t=12680.0ps kin=1.49 pot=21.49 Rg=27.229 SPS=1699
bl=1169 pos[1]=[-0.8 -9.6 -1.7] dr=1.96 t=12690.0ps kin=1.50 pot=21.52 Rg=27.187 SPS=1644
bl=1170 pos[1]=[0.5 -10.3 -0.9] dr=1.87 t=12700.0ps kin=1.52 pot=21.57 Rg=27.152 SPS=1644
bl=1171 pos[1]=[-0.7 -12.2 -3.7] dr=1.97 t=12710.0ps kin=1.52 pot=21.55 Rg=27.267 SPS=1615
bl=1172 pos[1]=[-2.0 -14.3 -3.0] dr=1.98 t=12720.0ps kin=1.49 pot=21.58 Rg=27.417 SPS=1678
bl=1173 pos[1]=[-4.0 -14.1 -2.5] dr=1.88 t=12730.0ps kin=1.51 pot=21.51 Rg=27.552 SPS=1655
bl=1174 pos[1]=[-5.3 -14.1 -0.0] dr=1.91 t=12740.0ps kin=1.46 pot=21.52 Rg=27.584 SPS=1672
bl=1175 pos[1]=[-5.9 -14.2 1.7] dr=1.90 t=12750.0ps kin=1.53 pot=21.47 Rg=27.538 SPS=1712
bl=1176 pos[1]=[-4.5 -14.3 1.0] dr=1.96 t=12760.0ps kin=1.49 pot=21.51 Rg=27.548 SPS=1703
bl=1177 pos[1]=[-4.8 -11.5 1.0] dr=1.86 t=12770.0ps kin=1.46 pot=21.49 Rg=27.508 SPS=1738
bl=1178 pos[1]=[-5.7 -10.0 1.7] dr=1.87 t=12780.0ps kin=1.48 pot=21.50 Rg=27.399 SPS=1711
bl=1179 pos[1]=[-6.3 -11.5 1.2] dr=1.95 t=12790.0ps kin=1.57 pot=21.50 Rg=27.314 SPS=1676
bl=1180 pos[1]=[-5.8 -11.3 4.3] dr=1.91 t=12800.0ps kin=1.50 pot=21.54 Rg=27.230 SPS=1670
bl=1181 pos[1]=[-5.0 -9.9 5.5] dr=1.89 t=12810.0ps kin=1.46 pot=21.53 Rg=27.204 SPS=1656
bl=1182 pos[1]=[-7.5 -10.6 2.7] dr=1.85 t=12820.0ps kin=1.47 pot=21.50 Rg=27.265 SPS=1622
bl=1183 pos[1]=[-7.9 -9.7 1.4] dr=1.97 t=12830.0ps kin=1.50 pot=21.53 Rg=27.173 SPS=1619
bl=1184 pos[1]=[-7.4 -8.3 1.2] dr=1.92 t=12840.0ps kin=1.52 pot=21.52 Rg=27.102 SPS=1622
bl=1185 pos[1]=[-6.3 -8.8 1.5] dr=1.93 t=12850.0ps kin=1.51 pot=21.50 Rg=27.167 SPS=1599
bl=1186 pos[1]=[-6.1 -6.5 0.1] dr=1.94 t=12860.0ps kin=1.50 pot=21.52 Rg=27.232 SPS=1626
bl=1187 pos[1]=[-3.9 -2.7 -0.8] dr=1.98 t=12870.0ps kin=1.50 pot=21.56 Rg=27.343 SPS=1641
bl=1188 pos[1]=[-4.5 0.3 1.3] dr=1.96 t=12880.0ps kin=1.47 pot=21.58 Rg=27.423 SPS=1650
bl=1189 pos[1]=[-5.0 2.3 3.0] dr=1.97 t=12890.0ps kin=1.51 pot=21.49 Rg=27.348 SPS=1663
bl=1190 pos[1]=[-4.4 2.0 2.6] dr=1.90 t=12900.0ps kin=1.49 pot=21.55 Rg=27.301 SPS=1635
bl=1191 pos[1]=[-5.1 -0.9 4.9] dr=1.98 t=12910.0ps kin=1.51 pot=21.54 Rg=27.368 SPS=1619
bl=1192 pos[1]=[-4.4 -1.0 6.9] dr=1.95 t=12920.0ps kin=1.54 pot=21.53 Rg=27.336 SPS=1616
bl=1193 pos[1]=[-2.8 -1.4 8.5] dr=1.92 t=12930.0ps kin=1.52 pot=21.52 Rg=27.304 SPS=1651
bl=1194 pos[1]=[-5.9 -3.9 9.4] dr=1.88 t=12940.0ps kin=1.46 pot=21.51 Rg=27.324 SPS=1652
bl=1195 pos[1]=[-6.2 -5.3 5.4] dr=1.98 t=12950.0ps kin=1.55 pot=21.58 Rg=27.303 SPS=1685
bl=1196 pos[1]=[-5.4 -4.9 5.9] dr=2.04 t=12960.0ps kin=1.55 pot=21.54 Rg=27.311 SPS=1594
bl=1197 pos[1]=[-5.4 -3.3 3.4] dr=1.86 t=12970.0ps kin=1.49 pot=21.54 Rg=27.268 SPS=1721
bl=1198 pos[1]=[-6.0 -3.5 2.2] dr=1.93 t=12980.0ps kin=1.50 pot=21.52 Rg=27.362 SPS=1705
bl=1199 pos[1]=[-4.0 -0.8 2.3] dr=1.91 t=12990.0ps kin=1.56 pot=21.50 Rg=27.401 SPS=1718
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 2.34103 -2.09928386 -0.61920091] Rg = 27.401186
median bond size is 0.9686979396326479
three shortest/longest (<10)/ bonds are [0.88134867 0.88327196 0.88441475] [1.08869989 1.09256153 1.09913815]
95 percentile of distance to center is: 43.14992477293814
density of closest 95% monomers is: 0.003827846878370279
density of the core monomers is: 0.011966662524925814
min/median/mean/max coordinates are:
x: -30.89, 0.40, 2.34, 44.09
y: -41.58, 2.33, -2.10, 25.35
z: -31.25, 0.27, -0.62, 23.22
Statistics for velocities:
mean kinetic energy is: 1.5622051605349467 should be: 1.5
fastest particles are (in kT): [7.79072277 7.80781197 8.14946416 8.19682483 9.79350955]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.500852691740413
bl=1200 pos[1]=[-5.0 1.3 4.1] dr=1.92 t=13000.0ps kin=1.46 pot=21.54 Rg=27.288 SPS=1663
bl=1201 pos[1]=[-6.2 0.4 2.6] dr=1.94 t=13010.0ps kin=1.46 pot=21.49 Rg=27.186 SPS=1670
bl=1202 pos[1]=[-5.1 0.5 2.0] dr=1.96 t=13020.0ps kin=1.53 pot=21.48 Rg=27.131 SPS=1719
bl=1203 pos[1]=[-5.9 -1.6 0.9] dr=1.91 t=13030.0ps kin=1.49 pot=21.50 Rg=27.102 SPS=1683
bl=1204 pos[1]=[-7.6 0.3 0.5] dr=1.89 t=13040.0ps kin=1.51 pot=21.54 Rg=27.010 SPS=1694
bl=1205 pos[1]=[-7.6 1.6 1.3] dr=1.87 t=13050.0ps kin=1.51 pot=21.53 Rg=26.913 SPS=1743
bl=1206 pos[1]=[-6.2 2.1 3.1] dr=1.98 t=13060.0ps kin=1.59 pot=21.55 Rg=26.987 SPS=1716
bl=1207 pos[1]=[-7.0 0.9 2.2] dr=1.90 t=13070.0ps kin=1.48 pot=21.54 Rg=27.006 SPS=1721
bl=1208 pos[1]=[-8.1 0.3 3.1] dr=1.89 t=13080.0ps kin=1.44 pot=21.50 Rg=27.008 SPS=1699
bl=1209 pos[1]=[-5.0 -0.4 3.7] dr=1.87 t=13090.0ps kin=1.50 pot=21.50 Rg=27.010 SPS=1727
bl=1210 pos[1]=[-0.8 0.5 -0.1] dr=1.98 t=13100.0ps kin=1.52 pot=21.52 Rg=27.106 SPS=1723
bl=1211 pos[1]=[2.2 5.1 1.5] dr=1.93 t=13110.0ps kin=1.51 pot=21.53 Rg=27.095 SPS=1692
bl=1212 pos[1]=[3.1 5.6 3.1] dr=1.98 t=13120.0ps kin=1.48 pot=21.56 Rg=27.082 SPS=1721
bl=1213 pos[1]=[3.8 5.3 1.1] dr=1.90 t=13130.0ps kin=1.46 pot=21.46 Rg=27.093 SPS=1710
bl=1214 pos[1]=[3.0 5.5 1.4] dr=1.88 t=13140.0ps kin=1.46 pot=21.52 Rg=27.089 SPS=1717
bl=1215 pos[1]=[1.5 4.8 3.1] dr=1.92 t=13150.0ps kin=1.49 pot=21.49 Rg=27.051 SPS=1733
bl=1216 pos[1]=[1.5 3.6 5.6] dr=1.92 t=13160.0ps kin=1.47 pot=21.54 Rg=26.989 SPS=1685
bl=1217 pos[1]=[1.4 4.6 7.1] dr=1.99 t=13170.0ps kin=1.52 pot=21.49 Rg=27.006 SPS=1715
bl=1218 pos[1]=[0.1 0.5 5.6] dr=2.01 t=13180.0ps kin=1.51 pot=21.48 Rg=27.009 SPS=1725
bl=1219 pos[1]=[2.2 2.1 3.7] dr=1.89 t=13190.0ps kin=1.43 pot=21.53 Rg=27.043 SPS=1709
bl=1220 pos[1]=[2.8 0.3 4.2] dr=1.90 t=13200.0ps kin=1.49 pot=21.53 Rg=27.061 SPS=1728
bl=1221 pos[1]=[3.4 1.3 3.2] dr=1.86 t=13210.0ps kin=1.53 pot=21.53 Rg=27.124 SPS=1798
bl=1222 pos[1]=[3.3 0.6 2.5] dr=1.92 t=13220.0ps kin=1.47 pot=21.56 Rg=27.299 SPS=1699
bl=1223 pos[1]=[2.8 1.1 4.1] dr=1.94 t=13230.0ps kin=1.52 pot=21.49 Rg=27.414 SPS=1677
bl=1224 pos[1]=[2.7 3.8 5.3] dr=1.96 t=13240.0ps kin=1.50 pot=21.49 Rg=27.344 SPS=1725
bl=1225 pos[1]=[5.4 3.1 7.6] dr=2.00 t=13250.0ps kin=1.56 pot=21.48 Rg=27.281 SPS=1673
bl=1226 pos[1]=[2.9 2.5 9.5] dr=1.95 t=13260.0ps kin=1.48 pot=21.54 Rg=27.248 SPS=1663
bl=1227 pos[1]=[1.7 1.9 9.5] dr=1.95 t=13270.0ps kin=1.49 pot=21.49 Rg=27.209 SPS=1754
bl=1228 pos[1]=[0.8 3.3 9.8] dr=1.89 t=13280.0ps kin=1.48 pot=21.54 Rg=27.239 SPS=1622
bl=1229 pos[1]=[-0.3 1.0 10.0] dr=1.89 t=13290.0ps kin=1.49 pot=21.53 Rg=27.226 SPS=1720
bl=1230 pos[1]=[-3.8 2.5 10.3] dr=1.94 t=13300.0ps kin=1.43 pot=21.46 Rg=27.182 SPS=1800
bl=1231 pos[1]=[-4.8 4.4 9.6] dr=1.86 t=13310.0ps kin=1.44 pot=21.51 Rg=27.203 SPS=1822
bl=1232 pos[1]=[-2.5 4.7 8.8] dr=1.92 t=13320.0ps kin=1.42 pot=21.53 Rg=27.285 SPS=1688
bl=1233 pos[1]=[-2.6 5.7 8.8] dr=1.91 t=13330.0ps kin=1.48 pot=21.53 Rg=27.267 SPS=1650
bl=1234 pos[1]=[-2.5 4.9 10.2] dr=1.93 t=13340.0ps kin=1.53 pot=21.49 Rg=27.205 SPS=1626
bl=1235 pos[1]=[-0.3 6.3 10.3] dr=2.00 t=13350.0ps kin=1.55 pot=21.54 Rg=27.229 SPS=1615
bl=1236 pos[1]=[1.9 6.4 10.8] dr=1.93 t=13360.0ps kin=1.53 pot=21.51 Rg=27.151 SPS=1610
bl=1237 pos[1]=[2.7 7.3 9.2] dr=1.95 t=13370.0ps kin=1.48 pot=21.49 Rg=27.117 SPS=1653
bl=1238 pos[1]=[1.0 7.3 12.4] dr=1.97 t=13380.0ps kin=1.46 pot=21.51 Rg=26.999 SPS=1668
bl=1239 pos[1]=[-2.3 7.3 11.4] dr=1.88 t=13390.0ps kin=1.48 pot=21.50 Rg=27.008 SPS=1588
bl=1240 pos[1]=[-1.9 4.3 11.5] dr=1.93 t=13400.0ps kin=1.47 pot=21.53 Rg=26.987 SPS=1639
bl=1241 pos[1]=[-1.9 2.8 7.4] dr=1.90 t=13410.0ps kin=1.48 pot=21.51 Rg=26.866 SPS=1634
bl=1242 pos[1]=[-1.9 -0.9 8.7] dr=1.98 t=13420.0ps kin=1.57 pot=21.57 Rg=26.746 SPS=1653
bl=1243 pos[1]=[-0.5 0.5 10.7] dr=1.93 t=13430.0ps kin=1.47 pot=21.56 Rg=26.614 SPS=1628
bl=1244 pos[1]=[1.5 2.2 9.8] dr=1.93 t=13440.0ps kin=1.49 pot=21.52 Rg=26.567 SPS=1618
bl=1245 pos[1]=[0.3 1.7 8.2] dr=1.91 t=13450.0ps kin=1.47 pot=21.54 Rg=26.561 SPS=1652
bl=1246 pos[1]=[-0.1 0.4 10.9] dr=1.90 t=13460.0ps kin=1.50 pot=21.55 Rg=26.611 SPS=1651
bl=1247 pos[1]=[-2.6 2.7 11.0] dr=1.89 t=13470.0ps kin=1.46 pot=21.57 Rg=26.612 SPS=1659
bl=1248 pos[1]=[-1.1 4.2 7.4] dr=1.98 t=13480.0ps kin=1.51 pot=21.52 Rg=26.580 SPS=1645
bl=1249 pos[1]=[-1.7 5.5 8.7] dr=1.91 t=13490.0ps kin=1.49 pot=21.50 Rg=26.488 SPS=1671
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 1.14148795 -0.53718879 -0.84873699] Rg = 26.488108
median bond size is 0.9673067591594892
three shortest/longest (<10)/ bonds are [0.89540066 0.89552418 0.89568184] [1.09038817 1.09229004 1.11346082]
95 percentile of distance to center is: 40.08515420274864
density of closest 95% monomers is: 0.004774677133611327
density of the core monomers is: 0.02140335267248927
min/median/mean/max coordinates are:
x: -29.57, 0.55, 1.14, 44.65
y: -33.79, 4.15, -0.54, 27.87
z: -25.19, 0.02, -0.85, 24.35
Statistics for velocities:
mean kinetic energy is: 1.4946857901851056 should be: 1.5
fastest particles are (in kT): [6.71671167 6.72577659 6.87712173 7.19170809 7.65224998]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.498373836191004
bl=1250 pos[1]=[0.7 3.9 5.7] dr=1.94 t=13500.0ps kin=1.46 pot=21.54 Rg=26.380 SPS=1644
bl=1251 pos[1]=[3.5 1.3 6.0] dr=1.93 t=13510.0ps kin=1.48 pot=21.50 Rg=26.254 SPS=1629
bl=1252 pos[1]=[1.4 -1.2 7.7] dr=1.91 t=13520.0ps kin=1.51 pot=21.49 Rg=26.244 SPS=1595
bl=1253 pos[1]=[1.8 0.9 7.4] dr=1.90 t=13530.0ps kin=1.52 pot=21.52 Rg=26.256 SPS=1662
bl=1254 pos[1]=[0.8 2.0 8.8] dr=1.89 t=13540.0ps kin=1.49 pot=21.54 Rg=26.178 SPS=1668
bl=1255 pos[1]=[1.1 0.1 8.6] dr=1.94 t=13550.0ps kin=1.54 pot=21.51 Rg=26.145 SPS=1661
bl=1256 pos[1]=[2.5 0.6 7.5] dr=1.95 t=13560.0ps kin=1.52 pot=21.52 Rg=26.033 SPS=1670
bl=1257 pos[1]=[5.7 1.3 6.5] dr=1.87 t=13570.0ps kin=1.44 pot=21.52 Rg=25.914 SPS=1654
bl=1258 pos[1]=[5.3 1.5 3.6] dr=1.87 t=13580.0ps kin=1.52 pot=21.50 Rg=25.849 SPS=1677
bl=1259 pos[1]=[5.2 1.0 4.4] dr=1.98 t=13590.0ps kin=1.47 pot=21.57 Rg=25.863 SPS=1656
bl=1260 pos[1]=[5.0 -2.2 6.5] dr=1.88 t=13600.0ps kin=1.46 pot=21.52 Rg=25.898 SPS=1687
bl=1261 pos[1]=[3.8 -4.1 4.0] dr=1.86 t=13610.0ps kin=1.49 pot=21.54 Rg=25.914 SPS=1505
bl=1262 pos[1]=[0.7 -3.2 2.2] dr=1.90 t=13620.0ps kin=1.52 pot=21.52 Rg=26.009 SPS=1646
bl=1263 pos[1]=[-0.9 -3.7 2.3] dr=1.91 t=13630.0ps kin=1.52 pot=21.54 Rg=26.011 SPS=1638
bl=1264 pos[1]=[-1.1 -7.4 3.4] dr=1.96 t=13640.0ps kin=1.49 pot=21.50 Rg=26.061 SPS=1629
bl=1265 pos[1]=[-0.7 -5.4 1.0] dr=1.93 t=13650.0ps kin=1.50 pot=21.49 Rg=26.095 SPS=1666
bl=1266 pos[1]=[-1.4 -6.5 0.6] dr=1.96 t=13660.0ps kin=1.51 pot=21.56 Rg=26.006 SPS=1612
bl=1267 pos[1]=[-4.6 -5.3 -0.3] dr=1.91 t=13670.0ps kin=1.51 pot=21.57 Rg=25.933 SPS=1651
bl=1268 pos[1]=[-4.5 -4.8 -1.2] dr=1.96 t=13680.0ps kin=1.54 pot=21.51 Rg=25.917 SPS=1666
bl=1269 pos[1]=[-3.0 -5.5 -0.4] dr=1.96 t=13690.0ps kin=1.48 pot=21.47 Rg=25.948 SPS=1670
bl=1270 pos[1]=[-2.5 -6.6 0.5] dr=1.89 t=13700.0ps kin=1.49 pot=21.54 Rg=25.917 SPS=1630
bl=1271 pos[1]=[-1.3 -5.3 0.8] dr=1.91 t=13710.0ps kin=1.47 pot=21.55 Rg=25.910 SPS=1624
bl=1272 pos[1]=[-3.5 -7.2 -1.1] dr=1.92 t=13720.0ps kin=1.50 pot=21.51 Rg=25.833 SPS=1667
bl=1273 pos[1]=[-4.1 -4.8 0.2] dr=1.85 t=13730.0ps kin=1.46 pot=21.53 Rg=25.800 SPS=1641
bl=1274 pos[1]=[-3.3 -4.3 -1.9] dr=1.95 t=13740.0ps kin=1.52 pot=21.57 Rg=25.827 SPS=1636
bl=1275 pos[1]=[-2.1 -2.2 -2.4] dr=1.95 t=13750.0ps kin=1.46 pot=21.51 Rg=25.936 SPS=1644
bl=1276 pos[1]=[-4.5 -2.0 -2.6] dr=1.95 t=13760.0ps kin=1.49 pot=21.52 Rg=25.985 SPS=1631
bl=1277 pos[1]=[-5.5 -2.2 -1.2] dr=1.99 t=13770.0ps kin=1.48 pot=21.48 Rg=26.040 SPS=1624
bl=1278 pos[1]=[-5.0 -4.0 -1.0] dr=1.99 t=13780.0ps kin=1.54 pot=21.53 Rg=26.090 SPS=1625
bl=1279 pos[1]=[-2.1 -3.3 1.6] dr=1.93 t=13790.0ps kin=1.52 pot=21.45 Rg=26.137 SPS=1615
bl=1280 pos[1]=[-1.7 -1.2 1.5] dr=1.90 t=13800.0ps kin=1.49 pot=21.49 Rg=26.203 SPS=1642
bl=1281 pos[1]=[-4.4 -0.8 2.2] dr=1.97 t=13810.0ps kin=1.46 pot=21.50 Rg=26.214 SPS=1663
bl=1282 pos[1]=[-3.4 -3.2 -3.8] dr=1.99 t=13820.0ps kin=1.48 pot=21.51 Rg=26.285 SPS=1645
bl=1283 pos[1]=[-5.1 -6.2 -3.8] dr=1.92 t=13830.0ps kin=1.47 pot=21.51 Rg=26.533 SPS=1669
bl=1284 pos[1]=[-5.7 -4.6 -2.7] dr=1.88 t=13840.0ps kin=1.49 pot=21.53 Rg=26.731 SPS=1667
bl=1285 pos[1]=[-6.4 -6.1 -2.7] dr=1.94 t=13850.0ps kin=1.46 pot=21.47 Rg=26.771 SPS=1664
bl=1286 pos[1]=[-8.7 -5.3 0.8] dr=1.91 t=13860.0ps kin=1.47 pot=21.48 Rg=26.706 SPS=1641
bl=1287 pos[1]=[-8.0 -4.1 -0.3] dr=1.94 t=13870.0ps kin=1.44 pot=21.50 Rg=26.625 SPS=1644
bl=1288 pos[1]=[-7.3 -3.7 1.3] dr=1.95 t=13880.0ps kin=1.49 pot=21.53 Rg=26.628 SPS=1655
bl=1289 pos[1]=[-3.3 -4.2 0.8] dr=1.92 t=13890.0ps kin=1.45 pot=21.49 Rg=26.564 SPS=1643
bl=1290 pos[1]=[-1.8 -0.5 -0.6] dr=1.98 t=13900.0ps kin=1.49 pot=21.50 Rg=26.500 SPS=1644
bl=1291 pos[1]=[-0.5 -2.2 1.0] dr=1.94 t=13910.0ps kin=1.51 pot=21.50 Rg=26.495 SPS=1544
bl=1292 pos[1]=[-3.2 -1.4 0.6] dr=1.91 t=13920.0ps kin=1.50 pot=21.52 Rg=26.524 SPS=1631
bl=1293 pos[1]=[-4.0 -1.3 -0.5] dr=1.92 t=13930.0ps kin=1.55 pot=21.51 Rg=26.502 SPS=1654
bl=1294 pos[1]=[-5.2 -0.5 0.2] dr=2.02 t=13940.0ps kin=1.51 pot=21.49 Rg=26.490 SPS=1660
bl=1295 pos[1]=[-4.9 -0.6 1.0] dr=1.92 t=13950.0ps kin=1.57 pot=21.52 Rg=26.473 SPS=1667
bl=1296 pos[1]=[-3.0 -2.9 -0.5] dr=1.98 t=13960.0ps kin=1.53 pot=21.54 Rg=26.432 SPS=1666
bl=1297 pos[1]=[-1.5 -3.2 2.2] dr=1.93 t=13970.0ps kin=1.52 pot=21.50 Rg=26.386 SPS=1648
bl=1298 pos[1]=[2.3 -1.1 1.8] dr=1.87 t=13980.0ps kin=1.57 pot=21.54 Rg=26.339 SPS=1615
bl=1299 pos[1]=[2.1 -0.9 -0.9] dr=1.94 t=13990.0ps kin=1.50 pot=21.51 Rg=26.348 SPS=1665
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 2.13527564 -0.06893294 -1.98093821] Rg = 26.34841
median bond size is 0.9675288181355971
three shortest/longest (<10)/ bonds are [0.87765821 0.89156023 0.89218212] [1.08118379 1.08238079 1.09514519]
95 percentile of distance to center is: 39.09466763670464
density of closest 95% monomers is: 0.005146857089268399
density of the core monomers is: 0.022055617900173484
min/median/mean/max coordinates are:
x: -30.54, 0.72, 2.14, 44.40
y: -36.14, 5.33, -0.07, 23.48
z: -26.62, -1.15, -1.98, 22.11
Statistics for velocities:
mean kinetic energy is: 1.5023588766600997 should be: 1.5
fastest particles are (in kT): [ 6.88370957 7.01847777 7.14900455 7.5420003 12.65194688]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.508956143989675
bl=1300 pos[1]=[1.8 -1.7 -1.1] dr=1.81 t=14000.0ps kin=1.49 pot=21.56 Rg=26.320 SPS=1637
bl=1301 pos[1]=[-0.3 -4.2 -2.4] dr=1.92 t=14010.0ps kin=1.52 pot=21.52 Rg=26.265 SPS=1660
bl=1302 pos[1]=[1.6 -3.2 -4.9] dr=1.84 t=14020.0ps kin=1.47 pot=21.46 Rg=26.304 SPS=1667
bl=1303 pos[1]=[0.4 -5.9 -1.9] dr=1.91 t=14030.0ps kin=1.50 pot=21.50 Rg=26.314 SPS=1661
bl=1304 pos[1]=[-3.3 -4.9 -0.0] dr=1.91 t=14040.0ps kin=1.48 pot=21.49 Rg=26.408 SPS=1524
bl=1305 pos[1]=[-2.0 -3.5 -0.3] dr=1.91 t=14050.0ps kin=1.45 pot=21.53 Rg=26.634 SPS=1647
bl=1306 pos[1]=[-3.3 -4.5 -2.0] dr=1.85 t=14060.0ps kin=1.49 pot=21.51 Rg=26.771 SPS=1654
bl=1307 pos[1]=[-5.2 -3.6 -2.0] dr=1.98 t=14070.0ps kin=1.52 pot=21.50 Rg=26.795 SPS=1645
bl=1308 pos[1]=[-6.8 -1.8 -1.4] dr=1.95 t=14080.0ps kin=1.54 pot=21.53 Rg=26.714 SPS=1658
bl=1309 pos[1]=[-6.8 -3.7 -1.6] dr=1.94 t=14090.0ps kin=1.48 pot=21.48 Rg=26.745 SPS=1663
bl=1310 pos[1]=[-5.6 -2.3 1.3] dr=1.96 t=14100.0ps kin=1.47 pot=21.50 Rg=26.670 SPS=1648
bl=1311 pos[1]=[-2.8 -4.4 -0.5] dr=1.91 t=14110.0ps kin=1.51 pot=21.54 Rg=26.571 SPS=1664
bl=1312 pos[1]=[-1.3 -3.2 2.1] dr=1.89 t=14120.0ps kin=1.44 pot=21.53 Rg=26.537 SPS=1613
bl=1313 pos[1]=[-2.7 -3.2 2.9] dr=1.93 t=14130.0ps kin=1.45 pot=21.54 Rg=26.521 SPS=1644
bl=1314 pos[1]=[-1.3 -2.3 1.7] dr=1.93 t=14140.0ps kin=1.45 pot=21.52 Rg=26.505 SPS=1662
bl=1315 pos[1]=[-1.8 -6.6 -0.4] dr=1.95 t=14150.0ps kin=1.53 pot=21.50 Rg=26.548 SPS=1628
bl=1316 pos[1]=[-2.1 -7.1 0.9] dr=1.99 t=14160.0ps kin=1.50 pot=21.44 Rg=26.656 SPS=1652
bl=1317 pos[1]=[-4.8 -6.9 1.2] dr=1.98 t=14170.0ps kin=1.47 pot=21.49 Rg=26.706 SPS=1660
bl=1318 pos[1]=[-6.0 -6.0 2.2] dr=1.88 t=14180.0ps kin=1.47 pot=21.53 Rg=26.704 SPS=1623
bl=1319 pos[1]=[-3.8 -5.1 2.6] dr=2.00 t=14190.0ps kin=1.58 pot=21.53 Rg=26.734 SPS=1637
bl=1320 pos[1]=[-7.2 -6.1 1.6] dr=1.97 t=14200.0ps kin=1.57 pot=21.57 Rg=26.716 SPS=1651
bl=1321 pos[1]=[-11.9 -7.4 0.9] dr=1.95 t=14210.0ps kin=1.57 pot=21.52 Rg=26.758 SPS=1658
bl=1322 pos[1]=[-12.3 -5.3 2.2] dr=1.97 t=14220.0ps kin=1.49 pot=21.56 Rg=26.824 SPS=1630
bl=1323 pos[1]=[-11.2 -6.1 1.7] dr=1.93 t=14230.0ps kin=1.49 pot=21.56 Rg=26.939 SPS=1521
bl=1324 pos[1]=[-10.4 -4.5 4.0] dr=2.01 t=14240.0ps kin=1.53 pot=21.54 Rg=26.957 SPS=1661
bl=1325 pos[1]=[-11.3 -4.6 6.1] dr=2.00 t=14250.0ps kin=1.48 pot=21.58 Rg=26.914 SPS=1667
bl=1326 pos[1]=[-10.0 -4.4 5.7] dr=1.97 t=14260.0ps kin=1.51 pot=21.51 Rg=27.008 SPS=1636
bl=1327 pos[1]=[-6.5 -5.5 4.2] dr=1.92 t=14270.0ps kin=1.49 pot=21.54 Rg=27.029 SPS=1627
bl=1328 pos[1]=[-7.7 -5.8 3.7] dr=1.88 t=14280.0ps kin=1.48 pot=21.56 Rg=26.960 SPS=1629
bl=1329 pos[1]=[-11.1 -5.8 2.1] dr=1.94 t=14290.0ps kin=1.49 pot=21.52 Rg=26.921 SPS=1629
bl=1330 pos[1]=[-11.3 -5.2 -4.4] dr=1.93 t=14300.0ps kin=1.52 pot=21.53 Rg=26.838 SPS=1654
bl=1331 pos[1]=[-10.9 -6.1 -7.4] dr=1.93 t=14310.0ps kin=1.52 pot=21.56 Rg=26.830 SPS=1613
bl=1332 pos[1]=[-9.0 -4.7 -9.0] dr=1.92 t=14320.0ps kin=1.52 pot=21.57 Rg=26.826 SPS=1649
bl=1333 pos[1]=[-7.6 -5.8 -8.3] dr=1.93 t=14330.0ps kin=1.51 pot=21.50 Rg=26.807 SPS=1615
bl=1334 pos[1]=[-8.5 -9.1 -8.0] dr=1.91 t=14340.0ps kin=1.51 pot=21.48 Rg=26.811 SPS=1633
bl=1335 pos[1]=[-9.5 -6.8 -6.5] dr=1.95 t=14350.0ps kin=1.49 pot=21.54 Rg=26.734 SPS=1613
bl=1336 pos[1]=[-10.4 -6.3 -7.3] dr=1.94 t=14360.0ps kin=1.54 pot=21.52 Rg=26.720 SPS=1632
bl=1337 pos[1]=[-12.8 -6.4 -9.5] dr=1.93 t=14370.0ps kin=1.50 pot=21.53 Rg=26.612 SPS=1613
bl=1338 pos[1]=[-12.5 -5.7 -10.6] dr=1.90 t=14380.0ps kin=1.48 pot=21.53 Rg=26.547 SPS=1665
bl=1339 pos[1]=[-12.7 -4.6 -11.5] dr=1.88 t=14390.0ps kin=1.49 pot=21.48 Rg=26.522 SPS=1668
bl=1340 pos[1]=[-13.2 -5.7 -12.3] dr=1.88 t=14400.0ps kin=1.46 pot=21.49 Rg=26.545 SPS=1664
bl=1341 pos[1]=[-12.4 -4.1 -13.0] dr=1.94 t=14410.0ps kin=1.51 pot=21.54 Rg=26.475 SPS=1654
bl=1342 pos[1]=[-12.7 -2.5 -16.1] dr=1.92 t=14420.0ps kin=1.48 pot=21.54 Rg=26.353 SPS=1651
bl=1343 pos[1]=[-10.8 -1.1 -16.0] dr=1.92 t=14430.0ps kin=1.52 pot=21.52 Rg=26.363 SPS=1654
bl=1344 pos[1]=[-10.2 -0.5 -16.1] dr=1.91 t=14440.0ps kin=1.46 pot=21.53 Rg=26.424 SPS=1644
bl=1345 pos[1]=[-10.1 0.6 -15.0] dr=2.01 t=14450.0ps kin=1.51 pot=21.58 Rg=26.430 SPS=1628
bl=1346 pos[1]=[-11.6 0.8 -15.9] dr=2.00 t=14460.0ps kin=1.50 pot=21.47 Rg=26.486 SPS=1646
bl=1347 pos[1]=[-9.3 1.6 -16.6] dr=1.94 t=14470.0ps kin=1.47 pot=21.50 Rg=26.520 SPS=1630
bl=1348 pos[1]=[-9.1 1.0 -17.2] dr=1.88 t=14480.0ps kin=1.44 pot=21.46 Rg=26.568 SPS=1598
bl=1349 pos[1]=[-9.1 0.8 -13.6] dr=1.90 t=14490.0ps kin=1.52 pot=21.50 Rg=26.554 SPS=1655
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 3.42073549 1.23322729 -1.92164025] Rg = 26.553686
median bond size is 0.968068879713599
three shortest/longest (<10)/ bonds are [0.88288692 0.88770794 0.88816482] [1.08631359 1.09597861 1.10707734]
95 percentile of distance to center is: 40.44433871284452
density of closest 95% monomers is: 0.004648592411784075
density of the core monomers is: 0.006436442791419165
min/median/mean/max coordinates are:
x: -28.02, 1.79, 3.42, 53.77
y: -36.70, 9.97, 1.23, 27.37
z: -26.10, -1.67, -1.92, 19.48
Statistics for velocities:
mean kinetic energy is: 1.5254961523980428 should be: 1.5
fastest particles are (in kT): [6.35380021 6.70620593 7.00168302 7.46537063 9.75349283]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.50176587850295
bl=1350 pos[1]=[-6.7 2.5 -14.2] dr=1.92 t=14500.0ps kin=1.46 pot=21.50 Rg=26.526 SPS=1671
bl=1351 pos[1]=[-4.4 0.2 -13.7] dr=1.90 t=14510.0ps kin=1.45 pot=21.54 Rg=26.546 SPS=1664
bl=1352 pos[1]=[-5.6 2.5 -14.7] dr=1.90 t=14520.0ps kin=1.56 pot=21.55 Rg=26.536 SPS=1658
bl=1353 pos[1]=[-7.6 2.3 -14.5] dr=1.92 t=14530.0ps kin=1.47 pot=21.57 Rg=26.510 SPS=1646
bl=1354 pos[1]=[-6.1 2.3 -13.1] dr=1.87 t=14540.0ps kin=1.50 pot=21.56 Rg=26.459 SPS=1665
bl=1355 pos[1]=[-4.5 0.8 -11.7] dr=1.92 t=14550.0ps kin=1.51 pot=21.54 Rg=26.427 SPS=1629
bl=1356 pos[1]=[-4.3 -2.4 -10.9] dr=1.95 t=14560.0ps kin=1.56 pot=21.52 Rg=26.500 SPS=1464
bl=1357 pos[1]=[-3.9 -3.9 -10.6] dr=1.90 t=14570.0ps kin=1.43 pot=21.50 Rg=26.556 SPS=1634
bl=1358 pos[1]=[-2.3 -4.8 -12.2] dr=1.92 t=14580.0ps kin=1.50 pot=21.53 Rg=26.510 SPS=1632
bl=1359 pos[1]=[-3.9 -6.4 -15.9] dr=1.92 t=14590.0ps kin=1.49 pot=21.54 Rg=26.443 SPS=1664
bl=1360 pos[1]=[-3.4 -7.4 -15.8] dr=1.93 t=14600.0ps kin=1.52 pot=21.54 Rg=26.377 SPS=1649
bl=1361 pos[1]=[-3.8 -6.2 -16.8] dr=1.92 t=14610.0ps kin=1.52 pot=21.54 Rg=26.390 SPS=1627
bl=1362 pos[1]=[-4.4 -5.0 -15.2] dr=1.92 t=14620.0ps kin=1.55 pot=21.50 Rg=26.458 SPS=1622
bl=1363 pos[1]=[-3.1 -4.5 -10.8] dr=1.93 t=14630.0ps kin=1.49 pot=21.52 Rg=26.543 SPS=1640
bl=1364 pos[1]=[-0.5 -5.8 -9.7] dr=1.95 t=14640.0ps kin=1.53 pot=21.51 Rg=26.648 SPS=1627
bl=1365 pos[1]=[-0.1 -5.8 -10.3] dr=1.94 t=14650.0ps kin=1.48 pot=21.59 Rg=26.674 SPS=1645
bl=1366 pos[1]=[-1.7 -5.4 -8.7] dr=1.93 t=14660.0ps kin=1.48 pot=21.50 Rg=26.633 SPS=1636
bl=1367 pos[1]=[-3.5 -5.7 -10.0] dr=1.90 t=14670.0ps kin=1.45 pot=21.54 Rg=26.605 SPS=1665
bl=1368 pos[1]=[-4.0 -4.9 -12.9] dr=1.95 t=14680.0ps kin=1.53 pot=21.50 Rg=26.529 SPS=1643
bl=1369 pos[1]=[-8.5 -5.9 -14.6] dr=1.99 t=14690.0ps kin=1.42 pot=21.56 Rg=26.372 SPS=1628
bl=1370 pos[1]=[-9.7 -6.5 -15.3] dr=1.93 t=14700.0ps kin=1.51 pot=21.50 Rg=26.289 SPS=1626
bl=1371 pos[1]=[-8.6 -6.0 -17.3] dr=1.91 t=14710.0ps kin=1.45 pot=21.53 Rg=26.261 SPS=1629
bl=1372 pos[1]=[-7.3 -8.1 -15.5] dr=1.91 t=14720.0ps kin=1.56 pot=21.49 Rg=26.404 SPS=1671
bl=1373 pos[1]=[-4.6 -8.1 -17.0] dr=1.94 t=14730.0ps kin=1.54 pot=21.50 Rg=26.377 SPS=1633
bl=1374 pos[1]=[-2.1 -10.5 -17.8] dr=1.88 t=14740.0ps kin=1.53 pot=21.52 Rg=26.482 SPS=1685
bl=1375 pos[1]=[-1.8 -12.0 -14.4] dr=1.99 t=14750.0ps kin=1.52 pot=21.51 Rg=26.492 SPS=1677
bl=1376 pos[1]=[-2.5 -12.3 -16.9] dr=1.89 t=14760.0ps kin=1.55 pot=21.54 Rg=26.602 SPS=1632
bl=1377 pos[1]=[-2.3 -10.8 -16.3] dr=1.91 t=14770.0ps kin=1.52 pot=21.51 Rg=26.671 SPS=1652
bl=1378 pos[1]=[-1.6 -11.0 -14.3] dr=1.98 t=14780.0ps kin=1.50 pot=21.52 Rg=26.700 SPS=1647
bl=1379 pos[1]=[-0.7 -12.9 -15.0] dr=1.88 t=14790.0ps kin=1.51 pot=21.56 Rg=26.665 SPS=1651
bl=1380 pos[1]=[0.2 -12.7 -17.3] dr=1.90 t=14800.0ps kin=1.54 pot=21.52 Rg=26.626 SPS=1649
bl=1381 pos[1]=[-1.0 -11.4 -17.5] dr=1.87 t=14810.0ps kin=1.54 pot=21.51 Rg=26.601 SPS=1617
bl=1382 pos[1]=[-0.8 -8.2 -15.0] dr=1.86 t=14820.0ps kin=1.50 pot=21.52 Rg=26.675 SPS=1618
bl=1383 pos[1]=[-1.1 -6.8 -11.2] dr=1.87 t=14830.0ps kin=1.49 pot=21.53 Rg=26.603 SPS=1625
bl=1384 pos[1]=[-3.7 -7.0 -9.2] dr=1.84 t=14840.0ps kin=1.49 pot=21.52 Rg=26.573 SPS=1617
bl=1385 pos[1]=[-6.5 -8.1 -9.8] dr=1.89 t=14850.0ps kin=1.51 pot=21.49 Rg=26.623 SPS=1608
bl=1386 pos[1]=[-6.6 -5.4 -11.9] dr=1.90 t=14860.0ps kin=1.50 pot=21.46 Rg=26.649 SPS=1622
bl=1387 pos[1]=[-5.3 -4.7 -15.8] dr=1.96 t=14870.0ps kin=1.50 pot=21.46 Rg=26.746 SPS=1591
bl=1388 pos[1]=[-3.3 -5.8 -17.5] dr=1.90 t=14880.0ps kin=1.54 pot=21.49 Rg=26.847 SPS=1510
bl=1389 pos[1]=[-3.9 -11.7 -17.5] dr=1.94 t=14890.0ps kin=1.51 pot=21.51 Rg=26.826 SPS=1616
bl=1390 pos[1]=[-2.6 -15.6 -19.3] dr=1.89 t=14900.0ps kin=1.57 pot=21.49 Rg=26.707 SPS=1605
bl=1391 pos[1]=[-3.6 -14.3 -17.9] dr=1.96 t=14910.0ps kin=1.49 pot=21.49 Rg=26.654 SPS=1641
bl=1392 pos[1]=[-2.6 -12.1 -16.4] dr=2.01 t=14920.0ps kin=1.48 pot=21.53 Rg=26.567 SPS=1622
bl=1393 pos[1]=[-1.6 -13.5 -17.6] dr=1.85 t=14930.0ps kin=1.47 pot=21.49 Rg=26.475 SPS=1548
bl=1394 pos[1]=[-0.6 -13.7 -17.7] dr=1.87 t=14940.0ps kin=1.49 pot=21.52 Rg=26.430 SPS=1643
bl=1395 pos[1]=[-0.1 -16.0 -15.8] dr=1.87 t=14950.0ps kin=1.49 pot=21.50 Rg=26.457 SPS=1644
bl=1396 pos[1]=[-0.0 -14.3 -13.8] dr=1.96 t=14960.0ps kin=1.47 pot=21.49 Rg=26.479 SPS=1628
bl=1397 pos[1]=[1.5 -11.3 -14.6] dr=1.96 t=14970.0ps kin=1.49 pot=21.54 Rg=26.438 SPS=1677
bl=1398 pos[1]=[3.6 -14.8 -15.3] dr=1.95 t=14980.0ps kin=1.46 pot=21.52 Rg=26.410 SPS=1677
bl=1399 pos[1]=[2.1 -18.2 -17.5] dr=1.90 t=14990.0ps kin=1.48 pot=21.47 Rg=26.454 SPS=1640
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 3.62306773 2.24599674 -1.88408014] Rg = 26.453796
median bond size is 0.9682253495624967
three shortest/longest (<10)/ bonds are [0.89077451 0.89292791 0.89319559] [1.08569666 1.10495853 1.11093745]
95 percentile of distance to center is: 44.02515620996975
density of closest 95% monomers is: 0.003604059636919583
density of the core monomers is: 0.008956591998353311
min/median/mean/max coordinates are:
x: -26.71, 2.04, 3.62, 46.58
y: -34.05, 10.40, 2.25, 28.97
z: -24.55, -1.36, -1.88, 19.29
Statistics for velocities:
mean kinetic energy is: 1.484286392194617 should be: 1.5
fastest particles are (in kT): [ 6.96607782 7.43248414 7.70723245 11.89164894 12.70506362]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.471705613938052
bl=1400 pos[1]=[2.2 -16.0 -18.0] dr=1.90 t=15000.0ps kin=1.43 pot=21.53 Rg=26.589 SPS=1634
bl=1401 pos[1]=[2.5 -14.8 -17.1] dr=1.85 t=15010.0ps kin=1.45 pot=21.54 Rg=26.584 SPS=1638
bl=1402 pos[1]=[4.7 -13.3 -15.2] dr=1.85 t=15020.0ps kin=1.47 pot=21.55 Rg=26.600 SPS=1627
bl=1403 pos[1]=[5.7 -13.6 -14.5] dr=1.88 t=15030.0ps kin=1.54 pot=21.52 Rg=26.629 SPS=1642
bl=1404 pos[1]=[3.2 -15.2 -15.0] dr=1.90 t=15040.0ps kin=1.53 pot=21.52 Rg=26.618 SPS=1632
bl=1405 pos[1]=[3.4 -18.5 -14.0] dr=2.00 t=15050.0ps kin=1.54 pot=21.57 Rg=26.598 SPS=1602
bl=1406 pos[1]=[3.5 -18.6 -14.8] dr=1.99 t=15060.0ps kin=1.55 pot=21.52 Rg=26.621 SPS=1597
bl=1407 pos[1]=[6.1 -18.7 -12.8] dr=1.95 t=15070.0ps kin=1.52 pot=21.53 Rg=26.663 SPS=1614
bl=1408 pos[1]=[7.1 -20.8 -13.7] dr=1.91 t=15080.0ps kin=1.52 pot=21.53 Rg=26.682 SPS=1635
bl=1409 pos[1]=[9.9 -19.1 -13.9] dr=1.92 t=15090.0ps kin=1.55 pot=21.57 Rg=26.768 SPS=1610
bl=1410 pos[1]=[11.6 -18.5 -12.9] dr=1.93 t=15100.0ps kin=1.51 pot=21.54 Rg=26.829 SPS=1641
bl=1411 pos[1]=[12.0 -21.9 -12.0] dr=1.91 t=15110.0ps kin=1.53 pot=21.52 Rg=26.841 SPS=1630
bl=1412 pos[1]=[8.6 -23.4 -13.4] dr=1.94 t=15120.0ps kin=1.48 pot=21.53 Rg=26.900 SPS=1614
bl=1413 pos[1]=[9.5 -24.4 -12.4] dr=1.94 t=15130.0ps kin=1.52 pot=21.50 Rg=27.000 SPS=1603
bl=1414 pos[1]=[10.8 -23.1 -12.6] dr=1.93 t=15140.0ps kin=1.59 pot=21.51 Rg=27.051 SPS=1646
bl=1415 pos[1]=[11.5 -20.3 -14.1] dr=1.89 t=15150.0ps kin=1.52 pot=21.50 Rg=27.006 SPS=1632
bl=1416 pos[1]=[7.4 -19.9 -12.4] dr=1.89 t=15160.0ps kin=1.49 pot=21.55 Rg=26.979 SPS=1669
bl=1417 pos[1]=[6.9 -21.0 -11.6] dr=1.95 t=15170.0ps kin=1.47 pot=21.54 Rg=27.085 SPS=1620
bl=1418 pos[1]=[4.2 -21.9 -12.7] dr=1.92 t=15180.0ps kin=1.51 pot=21.46 Rg=27.107 SPS=1521
bl=1419 pos[1]=[5.0 -22.1 -12.9] dr=1.91 t=15190.0ps kin=1.49 pot=21.50 Rg=27.123 SPS=1635
bl=1420 pos[1]=[7.0 -21.2 -13.0] dr=1.93 t=15200.0ps kin=1.49 pot=21.52 Rg=27.091 SPS=1631
bl=1421 pos[1]=[5.9 -20.1 -13.2] dr=1.84 t=15210.0ps kin=1.46 pot=21.48 Rg=27.083 SPS=1635
bl=1422 pos[1]=[5.9 -18.8 -14.6] dr=1.86 t=15220.0ps kin=1.52 pot=21.50 Rg=27.107 SPS=1639
bl=1423 pos[1]=[5.6 -17.6 -17.2] dr=1.96 t=15230.0ps kin=1.52 pot=21.51 Rg=27.170 SPS=1632
bl=1424 pos[1]=[6.8 -19.6 -17.4] dr=1.94 t=15240.0ps kin=1.49 pot=21.49 Rg=27.273 SPS=1642
bl=1425 pos[1]=[8.2 -18.7 -16.3] dr=1.92 t=15250.0ps kin=1.49 pot=21.54 Rg=27.256 SPS=1644
bl=1426 pos[1]=[9.7 -18.7 -15.3] dr=1.92 t=15260.0ps kin=1.55 pot=21.49 Rg=27.222 SPS=1610
bl=1427 pos[1]=[11.0 -18.5 -14.4] dr=1.98 t=15270.0ps kin=1.51 pot=21.51 Rg=27.198 SPS=1662
bl=1428 pos[1]=[10.1 -18.6 -14.8] dr=2.01 t=15280.0ps kin=1.50 pot=21.48 Rg=27.182 SPS=1640
bl=1429 pos[1]=[11.1 -20.8 -13.5] dr=1.93 t=15290.0ps kin=1.44 pot=21.50 Rg=27.199 SPS=1639
bl=1430 pos[1]=[10.7 -20.7 -14.0] dr=1.94 t=15300.0ps kin=1.49 pot=21.51 Rg=27.234 SPS=1629
bl=1431 pos[1]=[8.8 -18.2 -13.1] dr=1.93 t=15310.0ps kin=1.50 pot=21.51 Rg=27.236 SPS=1675
bl=1432 pos[1]=[10.1 -18.1 -16.8] dr=1.95 t=15320.0ps kin=1.50 pot=21.52 Rg=27.244 SPS=1661
bl=1433 pos[1]=[11.5 -16.4 -14.3] dr=1.93 t=15330.0ps kin=1.49 pot=21.49 Rg=27.304 SPS=1632
bl=1434 pos[1]=[12.1 -15.2 -14.8] dr=1.91 t=15340.0ps kin=1.48 pot=21.47 Rg=27.415 SPS=1622
bl=1435 pos[1]=[8.8 -13.6 -17.0] dr=1.93 t=15350.0ps kin=1.44 pot=21.54 Rg=27.359 SPS=1658
bl=1436 pos[1]=[5.7 -13.7 -16.1] dr=1.89 t=15360.0ps kin=1.48 pot=21.52 Rg=27.275 SPS=1632
bl=1437 pos[1]=[4.8 -11.4 -14.2] dr=1.92 t=15370.0ps kin=1.48 pot=21.53 Rg=27.247 SPS=1636
bl=1438 pos[1]=[5.8 -11.0 -13.2] dr=1.88 t=15380.0ps kin=1.50 pot=21.52 Rg=27.274 SPS=1610
bl=1439 pos[1]=[5.5 -8.7 -15.3] dr=1.93 t=15390.0ps kin=1.48 pot=21.53 Rg=27.290 SPS=1646
bl=1440 pos[1]=[8.0 -8.6 -15.8] dr=1.96 t=15400.0ps kin=1.48 pot=21.51 Rg=27.307 SPS=1624
bl=1441 pos[1]=[7.1 -7.4 -14.7] dr=1.98 t=15410.0ps kin=1.55 pot=21.50 Rg=27.297 SPS=1628
bl=1442 pos[1]=[8.2 -6.0 -13.9] dr=1.99 t=15420.0ps kin=1.46 pot=21.51 Rg=27.330 SPS=1619
bl=1443 pos[1]=[6.7 -5.9 -13.2] dr=1.96 t=15430.0ps kin=1.51 pot=21.52 Rg=27.334 SPS=1649
bl=1444 pos[1]=[7.8 -4.7 -13.6] dr=2.00 t=15440.0ps kin=1.47 pot=21.50 Rg=27.281 SPS=1671
bl=1445 pos[1]=[7.1 -5.7 -15.3] dr=1.90 t=15450.0ps kin=1.50 pot=21.53 Rg=27.246 SPS=1679
bl=1446 pos[1]=[5.2 -5.2 -17.6] dr=2.02 t=15460.0ps kin=1.55 pot=21.47 Rg=27.243 SPS=1663
bl=1447 pos[1]=[5.4 -5.9 -19.2] dr=1.96 t=15470.0ps kin=1.53 pot=21.52 Rg=27.129 SPS=1619
bl=1448 pos[1]=[5.3 -5.1 -18.3] dr=2.00 t=15480.0ps kin=1.54 pot=21.48 Rg=27.072 SPS=1625
bl=1449 pos[1]=[7.1 -3.3 -17.9] dr=1.90 t=15490.0ps kin=1.47 pot=21.55 Rg=27.155 SPS=1578
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 4.06409422 3.46860481 -1.57271865] Rg = 27.15507
median bond size is 0.9661632923218068
three shortest/longest (<10)/ bonds are [0.88045829 0.88377763 0.89384043] [1.07914137 1.08976798 1.10251132]
95 percentile of distance to center is: 40.7455834708456
density of closest 95% monomers is: 0.004546247359928207
density of the core monomers is: 0.006890512742978354
min/median/mean/max coordinates are:
x: -29.82, 3.33, 4.06, 43.45
y: -29.36, 11.40, 3.47, 32.69
z: -27.69, -0.90, -1.57, 22.75
Statistics for velocities:
mean kinetic energy is: 1.4808045364844713 should be: 1.5
fastest particles are (in kT): [6.32408628 6.60499641 6.64289574 7.11490925 9.89818329]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.54698734789823
bl=1450 pos[1]=[6.8 -4.0 -17.6] dr=1.93 t=15500.0ps kin=1.50 pot=21.53 Rg=27.295 SPS=1428
bl=1451 pos[1]=[6.8 -3.9 -18.4] dr=1.89 t=15510.0ps kin=1.49 pot=21.48 Rg=27.334 SPS=1603
bl=1452 pos[1]=[5.6 -4.9 -21.8] dr=1.92 t=15520.0ps kin=1.49 pot=21.51 Rg=27.319 SPS=1625
bl=1453 pos[1]=[4.1 -4.2 -17.5] dr=1.99 t=15530.0ps kin=1.49 pot=21.52 Rg=27.269 SPS=1646
bl=1454 pos[1]=[2.4 -4.9 -16.3] dr=2.02 t=15540.0ps kin=1.56 pot=21.52 Rg=27.240 SPS=1632
bl=1455 pos[1]=[0.7 -4.6 -16.0] dr=1.98 t=15550.0ps kin=1.54 pot=21.44 Rg=27.254 SPS=1642
bl=1456 pos[1]=[-0.9 -5.1 -15.8] dr=1.94 t=15560.0ps kin=1.47 pot=21.53 Rg=27.322 SPS=1640
bl=1457 pos[1]=[-0.6 -5.8 -13.8] dr=1.92 t=15570.0ps kin=1.49 pot=21.47 Rg=27.419 SPS=1602
bl=1458 pos[1]=[0.1 -6.5 -13.4] dr=1.98 t=15580.0ps kin=1.49 pot=21.50 Rg=27.443 SPS=1654
bl=1459 pos[1]=[0.9 -7.6 -12.0] dr=1.91 t=15590.0ps kin=1.52 pot=21.48 Rg=27.334 SPS=1607
bl=1460 pos[1]=[1.3 -6.9 -12.0] dr=1.96 t=15600.0ps kin=1.46 pot=21.55 Rg=27.165 SPS=1619
bl=1461 pos[1]=[1.8 -3.0 -12.6] dr=1.90 t=15610.0ps kin=1.52 pot=21.57 Rg=27.122 SPS=1650
bl=1462 pos[1]=[5.1 -3.5 -13.6] dr=1.91 t=15620.0ps kin=1.53 pot=21.50 Rg=27.125 SPS=1603
bl=1463 pos[1]=[5.7 -3.9 -13.9] dr=1.90 t=15630.0ps kin=1.48 pot=21.49 Rg=27.128 SPS=1621
bl=1464 pos[1]=[7.2 -4.9 -14.4] dr=1.92 t=15640.0ps kin=1.49 pot=21.50 Rg=27.180 SPS=1628
bl=1465 pos[1]=[5.2 -5.1 -14.6] dr=1.93 t=15650.0ps kin=1.44 pot=21.53 Rg=27.250 SPS=1649
bl=1466 pos[1]=[0.8 -3.9 -14.2] dr=1.92 t=15660.0ps kin=1.48 pot=21.53 Rg=27.247 SPS=1673
bl=1467 pos[1]=[0.1 -1.2 -16.3] dr=1.98 t=15670.0ps kin=1.51 pot=21.51 Rg=27.332 SPS=1669
bl=1468 pos[1]=[-2.9 -2.4 -17.2] dr=1.91 t=15680.0ps kin=1.44 pot=21.54 Rg=27.396 SPS=1609
bl=1469 pos[1]=[-1.6 -2.5 -17.6] dr=1.94 t=15690.0ps kin=1.47 pot=21.55 Rg=27.327 SPS=1650
bl=1470 pos[1]=[-1.4 -1.9 -17.1] dr=1.90 t=15700.0ps kin=1.47 pot=21.56 Rg=27.285 SPS=1639
bl=1471 pos[1]=[-2.3 -1.6 -17.0] dr=1.92 t=15710.0ps kin=1.48 pot=21.56 Rg=27.218 SPS=1638
bl=1472 pos[1]=[-3.1 -1.8 -16.0] dr=1.91 t=15720.0ps kin=1.53 pot=21.54 Rg=27.200 SPS=1647
bl=1473 pos[1]=[-2.0 -0.7 -17.7] dr=1.97 t=15730.0ps kin=1.51 pot=21.53 Rg=27.152 SPS=1623
bl=1474 pos[1]=[-2.8 -2.3 -17.5] dr=1.90 t=15740.0ps kin=1.54 pot=21.48 Rg=27.082 SPS=1651
bl=1475 pos[1]=[-2.6 -2.2 -18.7] dr=1.92 t=15750.0ps kin=1.50 pot=21.47 Rg=27.065 SPS=1635
bl=1476 pos[1]=[-2.4 -2.2 -20.4] dr=1.84 t=15760.0ps kin=1.49 pot=21.49 Rg=26.977 SPS=1635
bl=1477 pos[1]=[-1.9 -1.7 -19.6] dr=1.85 t=15770.0ps kin=1.47 pot=21.50 Rg=26.954 SPS=1625
bl=1478 pos[1]=[-1.5 -2.8 -17.8] dr=1.92 t=15780.0ps kin=1.46 pot=21.51 Rg=26.914 SPS=1620
bl=1479 pos[1]=[-0.8 0.3 -20.5] dr=1.91 t=15790.0ps kin=1.52 pot=21.53 Rg=26.849 SPS=1635
bl=1480 pos[1]=[0.3 1.5 -22.4] dr=1.92 t=15800.0ps kin=1.47 pot=21.49 Rg=26.869 SPS=1524
bl=1481 pos[1]=[-1.0 2.3 -24.7] dr=1.88 t=15810.0ps kin=1.52 pot=21.47 Rg=26.896 SPS=1621
bl=1482 pos[1]=[-2.0 1.6 -23.4] dr=1.94 t=15820.0ps kin=1.50 pot=21.50 Rg=26.864 SPS=1639
bl=1483 pos[1]=[-0.7 0.1 -24.1] dr=1.89 t=15830.0ps kin=1.49 pot=21.56 Rg=26.876 SPS=1618
bl=1484 pos[1]=[-1.4 -0.0 -22.4] dr=2.04 t=15840.0ps kin=1.58 pot=21.52 Rg=26.851 SPS=1633
bl=1485 pos[1]=[1.4 0.1 -20.7] dr=1.91 t=15850.0ps kin=1.50 pot=21.48 Rg=26.814 SPS=1604
bl=1486 pos[1]=[1.3 2.2 -22.3] dr=1.92 t=15860.0ps kin=1.43 pot=21.53 Rg=26.845 SPS=1623
bl=1487 pos[1]=[5.9 5.0 -23.0] dr=1.92 t=15870.0ps kin=1.54 pot=21.52 Rg=27.007 SPS=1618
bl=1488 pos[1]=[7.4 1.2 -21.5] dr=1.99 t=15880.0ps kin=1.46 pot=21.48 Rg=27.070 SPS=1628
bl=1489 pos[1]=[5.8 2.7 -21.6] dr=1.91 t=15890.0ps kin=1.50 pot=21.46 Rg=27.107 SPS=1600
bl=1490 pos[1]=[7.0 1.4 -20.8] dr=1.95 t=15900.0ps kin=1.46 pot=21.52 Rg=27.023 SPS=1605
bl=1491 pos[1]=[4.9 -0.2 -19.5] dr=1.98 t=15910.0ps kin=1.59 pot=21.52 Rg=27.066 SPS=1622
bl=1492 pos[1]=[3.7 0.3 -19.5] dr=1.94 t=15920.0ps kin=1.50 pot=21.54 Rg=27.049 SPS=1687
bl=1493 pos[1]=[4.6 0.6 -22.8] dr=1.97 t=15930.0ps kin=1.57 pot=21.53 Rg=26.977 SPS=1626
bl=1494 pos[1]=[2.5 0.9 -23.5] dr=2.00 t=15940.0ps kin=1.52 pot=21.56 Rg=27.039 SPS=1630
bl=1495 pos[1]=[2.2 3.7 -22.5] dr=1.95 t=15950.0ps kin=1.47 pot=21.52 Rg=27.143 SPS=1653
bl=1496 pos[1]=[1.5 4.7 -22.2] dr=1.95 t=15960.0ps kin=1.49 pot=21.55 Rg=27.170 SPS=1641
bl=1497 pos[1]=[1.5 3.6 -21.5] dr=2.00 t=15970.0ps kin=1.58 pot=21.47 Rg=27.236 SPS=1636
bl=1498 pos[1]=[1.1 2.9 -23.7] dr=1.92 t=15980.0ps kin=1.54 pot=21.53 Rg=27.307 SPS=1663
bl=1499 pos[1]=[0.0 4.5 -27.0] dr=1.95 t=15990.0ps kin=1.53 pot=21.55 Rg=27.401 SPS=1647
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 3.88013054 2.97644226 -0.73253282] Rg = 27.401274
median bond size is 0.9687124997736233
three shortest/longest (<10)/ bonds are [0.88947493 0.89038696 0.89082597] [1.09416513 1.0990435 1.11319164]
95 percentile of distance to center is: 42.49220258930523
density of closest 95% monomers is: 0.0040083621759484656
density of the core monomers is: 0.005293184462200241
min/median/mean/max coordinates are:
x: -30.41, 3.68, 3.88, 43.02
y: -33.98, 9.01, 2.98, 35.10
z: -27.02, -0.63, -0.73, 21.88
Statistics for velocities:
mean kinetic energy is: 1.5435956946569538 should be: 1.5
fastest particles are (in kT): [ 7.93512079 8.09853622 8.27157269 8.39501207 10.92445806]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.54811370759587
bl=1500 pos[1]=[0.4 6.4 -26.4] dr=2.03 t=16000.0ps kin=1.53 pot=21.57 Rg=27.430 SPS=1637
bl=1501 pos[1]=[-0.4 4.0 -27.9] dr=1.95 t=16010.0ps kin=1.48 pot=21.51 Rg=27.450 SPS=1641
bl=1502 pos[1]=[-0.2 0.7 -24.9] dr=1.92 t=16020.0ps kin=1.54 pot=21.52 Rg=27.442 SPS=1654
bl=1503 pos[1]=[-2.6 0.4 -24.5] dr=1.91 t=16030.0ps kin=1.51 pot=21.47 Rg=27.500 SPS=1622
bl=1504 pos[1]=[-5.0 0.9 -21.5] dr=1.96 t=16040.0ps kin=1.47 pot=21.50 Rg=27.449 SPS=1636
bl=1505 pos[1]=[-5.8 2.8 -21.5] dr=1.98 t=16050.0ps kin=1.53 pot=21.44 Rg=27.440 SPS=1672
bl=1506 pos[1]=[-5.3 2.4 -21.3] dr=1.98 t=16060.0ps kin=1.49 pot=21.50 Rg=27.374 SPS=1627
bl=1507 pos[1]=[-4.9 4.1 -20.4] dr=1.96 t=16070.0ps kin=1.48 pot=21.48 Rg=27.351 SPS=1651
bl=1508 pos[1]=[-3.4 1.5 -20.6] dr=1.93 t=16080.0ps kin=1.47 pot=21.52 Rg=27.297 SPS=1620
bl=1509 pos[1]=[-2.5 3.0 -19.7] dr=1.84 t=16090.0ps kin=1.47 pot=21.52 Rg=27.231 SPS=1669
bl=1510 pos[1]=[-2.7 1.3 -19.9] dr=1.86 t=16100.0ps kin=1.47 pot=21.49 Rg=27.227 SPS=1654
bl=1511 pos[1]=[-2.9 0.3 -20.7] dr=1.92 t=16110.0ps kin=1.45 pot=21.52 Rg=27.237 SPS=1610
bl=1512 pos[1]=[-2.1 -0.2 -17.7] dr=1.83 t=16120.0ps kin=1.47 pot=21.54 Rg=27.190 SPS=1590
bl=1513 pos[1]=[-3.9 0.4 -18.8] dr=1.86 t=16130.0ps kin=1.51 pot=21.49 Rg=27.269 SPS=1575
bl=1514 pos[1]=[-3.1 1.5 -16.5] dr=1.90 t=16140.0ps kin=1.53 pot=21.48 Rg=27.248 SPS=1620
bl=1515 pos[1]=[-3.7 2.3 -19.0] dr=1.99 t=16150.0ps kin=1.52 pot=21.49 Rg=27.169 SPS=1634
bl=1516 pos[1]=[-1.3 1.0 -19.1] dr=2.00 t=16160.0ps kin=1.47 pot=21.48 Rg=27.203 SPS=1625
bl=1517 pos[1]=[-3.1 -1.8 -20.0] dr=1.99 t=16170.0ps kin=1.52 pot=21.46 Rg=27.243 SPS=1625
bl=1518 pos[1]=[-6.2 -1.5 -19.3] dr=1.97 t=16180.0ps kin=1.53 pot=21.48 Rg=27.308 SPS=1641
bl=1519 pos[1]=[-6.1 -2.0 -20.8] dr=1.98 t=16190.0ps kin=1.44 pot=21.45 Rg=27.309 SPS=1636
bl=1520 pos[1]=[-4.7 -1.5 -21.0] dr=1.90 t=16200.0ps kin=1.44 pot=21.46 Rg=27.180 SPS=1596
bl=1521 pos[1]=[-0.9 -1.0 -20.2] dr=1.90 t=16210.0ps kin=1.46 pot=21.55 Rg=27.028 SPS=1650
bl=1522 pos[1]=[1.4 -0.2 -20.7] dr=1.91 t=16220.0ps kin=1.49 pot=21.54 Rg=27.006 SPS=1630
bl=1523 pos[1]=[0.9 -1.2 -19.8] dr=1.91 t=16230.0ps kin=1.50 pot=21.53 Rg=26.996 SPS=1613
bl=1524 pos[1]=[0.9 0.2 -17.3] dr=1.91 t=16240.0ps kin=1.48 pot=21.47 Rg=27.050 SPS=1647
bl=1525 pos[1]=[-0.7 -0.1 -16.1] dr=1.86 t=16250.0ps kin=1.51 pot=21.56 Rg=26.999 SPS=1636
bl=1526 pos[1]=[-1.8 -0.6 -19.0] dr=1.90 t=16260.0ps kin=1.50 pot=21.51 Rg=27.072 SPS=1631
bl=1527 pos[1]=[-1.0 0.4 -25.5] dr=1.94 t=16270.0ps kin=1.48 pot=21.51 Rg=27.128 SPS=1643
bl=1528 pos[1]=[-0.8 -1.1 -28.0] dr=1.97 t=16280.0ps kin=1.53 pot=21.54 Rg=27.081 SPS=1681
bl=1529 pos[1]=[-1.2 -5.0 -28.4] dr=1.93 t=16290.0ps kin=1.50 pot=21.53 Rg=27.028 SPS=1651
bl=1530 pos[1]=[1.3 -4.8 -28.1] dr=1.98 t=16300.0ps kin=1.56 pot=21.49 Rg=26.956 SPS=1615
bl=1531 pos[1]=[2.4 -3.8 -26.5] dr=1.94 t=16310.0ps kin=1.53 pot=21.56 Rg=26.838 SPS=1597
bl=1532 pos[1]=[3.2 -5.0 -24.6] dr=2.02 t=16320.0ps kin=1.46 pot=21.56 Rg=26.760 SPS=1640
bl=1533 pos[1]=[3.6 -3.9 -26.2] dr=1.91 t=16330.0ps kin=1.53 pot=21.50 Rg=26.603 SPS=1638
bl=1534 pos[1]=[7.5 -5.4 -25.6] dr=1.87 t=16340.0ps kin=1.52 pot=21.49 Rg=26.545 SPS=1611
bl=1535 pos[1]=[12.1 -4.3 -25.1] dr=1.87 t=16350.0ps kin=1.46 pot=21.53 Rg=26.626 SPS=1595
bl=1536 pos[1]=[12.4 -2.9 -27.5] dr=1.93 t=16360.0ps kin=1.47 pot=21.52 Rg=26.585 SPS=1633
bl=1537 pos[1]=[12.8 -1.6 -28.5] dr=1.87 t=16370.0ps kin=1.47 pot=21.51 Rg=26.564 SPS=1618
bl=1538 pos[1]=[10.1 -1.2 -26.4] dr=1.90 t=16380.0ps kin=1.56 pot=21.52 Rg=26.610 SPS=1609
bl=1539 pos[1]=[10.1 -0.5 -25.3] dr=1.94 t=16390.0ps kin=1.48 pot=21.51 Rg=26.621 SPS=1678
bl=1540 pos[1]=[8.9 -1.0 -26.8] dr=1.89 t=16400.0ps kin=1.45 pot=21.56 Rg=26.653 SPS=1642
bl=1541 pos[1]=[9.6 -3.4 -25.4] dr=1.89 t=16410.0ps kin=1.50 pot=21.52 Rg=26.709 SPS=1621
bl=1542 pos[1]=[9.5 -0.3 -21.4] dr=1.98 t=16420.0ps kin=1.52 pot=21.55 Rg=26.712 SPS=1617
bl=1543 pos[1]=[10.0 2.3 -20.6] dr=1.94 t=16430.0ps kin=1.54 pot=21.53 Rg=26.650 SPS=1596
bl=1544 pos[1]=[8.1 2.5 -19.9] dr=1.85 t=16440.0ps kin=1.51 pot=21.56 Rg=26.604 SPS=1474
bl=1545 pos[1]=[6.2 0.5 -18.6] dr=1.92 t=16450.0ps kin=1.48 pot=21.50 Rg=26.651 SPS=1590
bl=1546 pos[1]=[5.2 -1.9 -18.3] dr=1.80 t=16460.0ps kin=1.44 pot=21.52 Rg=26.627 SPS=1613
bl=1547 pos[1]=[6.2 -2.1 -18.5] dr=1.91 t=16470.0ps kin=1.44 pot=21.49 Rg=26.682 SPS=1602
bl=1548 pos[1]=[3.0 -1.6 -19.4] dr=1.93 t=16480.0ps kin=1.49 pot=21.48 Rg=26.631 SPS=1587
bl=1549 pos[1]=[4.8 -3.2 -18.0] dr=1.97 t=16490.0ps kin=1.52 pot=21.52 Rg=26.498 SPS=1622
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [4.20927623 4.14403397 0.86241922] Rg = 26.49799
median bond size is 0.9688106028521501
three shortest/longest (<10)/ bonds are [0.88374688 0.88641822 0.88647557] [1.08789102 1.09384643 1.10016689]
95 percentile of distance to center is: 42.37840011969567
density of closest 95% monomers is: 0.0040407409996530705
density of the core monomers is: 0.004788878142316394
min/median/mean/max coordinates are:
x: -29.07, 1.62, 4.21, 46.88
y: -30.48, 8.73, 4.14, 34.00
z: -24.98, 2.88, 0.86, 23.34
Statistics for velocities:
mean kinetic energy is: 1.5204611158853243 should be: 1.5
fastest particles are (in kT): [7.0925016 7.21285497 7.60305442 8.01371696 8.52292492]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.524356448193217
bl=1550 pos[1]=[5.8 -3.8 -18.7] dr=1.97 t=16500.0ps kin=1.51 pot=21.56 Rg=26.485 SPS=1593
bl=1551 pos[1]=[9.1 -4.0 -19.5] dr=1.92 t=16510.0ps kin=1.57 pot=21.55 Rg=26.561 SPS=1616
bl=1552 pos[1]=[7.6 -3.9 -20.8] dr=1.98 t=16520.0ps kin=1.50 pot=21.54 Rg=26.630 SPS=1614
bl=1553 pos[1]=[5.9 -6.8 -25.2] dr=1.99 t=16530.0ps kin=1.49 pot=21.52 Rg=26.765 SPS=1617
bl=1554 pos[1]=[5.1 -6.1 -26.5] dr=1.90 t=16540.0ps kin=1.56 pot=21.48 Rg=26.790 SPS=1595
bl=1555 pos[1]=[7.1 -6.3 -27.1] dr=1.97 t=16550.0ps kin=1.49 pot=21.49 Rg=26.822 SPS=1613
bl=1556 pos[1]=[4.8 -4.1 -29.3] dr=2.08 t=16560.0ps kin=1.46 pot=21.58 Rg=26.857 SPS=1626
bl=1557 pos[1]=[5.4 -2.2 -28.4] dr=1.97 t=16570.0ps kin=1.53 pot=21.51 Rg=27.002 SPS=1635
bl=1558 pos[1]=[5.9 -3.5 -28.6] dr=1.95 t=16580.0ps kin=1.53 pot=21.56 Rg=27.132 SPS=1620
bl=1559 pos[1]=[8.2 -3.6 -29.2] dr=1.94 t=16590.0ps kin=1.55 pot=21.55 Rg=27.273 SPS=1610
bl=1560 pos[1]=[8.7 -5.5 -29.2] dr=1.91 t=16600.0ps kin=1.52 pot=21.53 Rg=27.464 SPS=1618
bl=1561 pos[1]=[7.3 -7.2 -27.3] dr=1.89 t=16610.0ps kin=1.49 pot=21.56 Rg=27.615 SPS=1630
bl=1562 pos[1]=[9.2 -7.5 -27.7] dr=2.00 t=16620.0ps kin=1.49 pot=21.51 Rg=27.703 SPS=1626
bl=1563 pos[1]=[9.9 -7.8 -25.8] dr=1.92 t=16630.0ps kin=1.54 pot=21.51 Rg=27.783 SPS=1613
bl=1564 pos[1]=[8.5 -8.9 -27.4] dr=1.85 t=16640.0ps kin=1.48 pot=21.58 Rg=27.869 SPS=1608
bl=1565 pos[1]=[7.9 -8.6 -26.4] dr=1.93 t=16650.0ps kin=1.52 pot=21.48 Rg=27.736 SPS=1625
bl=1566 pos[1]=[8.5 -6.3 -24.2] dr=1.93 t=16660.0ps kin=1.51 pot=21.50 Rg=27.664 SPS=1569
bl=1567 pos[1]=[6.3 -6.5 -25.8] dr=1.93 t=16670.0ps kin=1.51 pot=21.49 Rg=27.626 SPS=1622
bl=1568 pos[1]=[7.8 -7.2 -25.5] dr=1.92 t=16680.0ps kin=1.50 pot=21.51 Rg=27.680 SPS=1638
bl=1569 pos[1]=[7.8 -4.7 -24.6] dr=1.89 t=16690.0ps kin=1.51 pot=21.50 Rg=27.740 SPS=1617
bl=1570 pos[1]=[6.6 -4.1 -24.3] dr=1.88 t=16700.0ps kin=1.53 pot=21.50 Rg=27.733 SPS=1622
bl=1571 pos[1]=[7.4 -2.9 -25.7] dr=2.00 t=16710.0ps kin=1.54 pot=21.47 Rg=27.660 SPS=1647
bl=1572 pos[1]=[7.2 -0.4 -25.1] dr=1.92 t=16720.0ps kin=1.48 pot=21.51 Rg=27.538 SPS=1627
bl=1573 pos[1]=[7.9 1.0 -23.7] dr=1.94 t=16730.0ps kin=1.53 pot=21.59 Rg=27.539 SPS=1500
bl=1574 pos[1]=[8.9 1.6 -25.5] dr=1.92 t=16740.0ps kin=1.55 pot=21.57 Rg=27.574 SPS=1601
bl=1575 pos[1]=[7.8 0.6 -26.8] dr=1.91 t=16750.0ps kin=1.48 pot=21.58 Rg=27.617 SPS=1653
bl=1576 pos[1]=[7.9 2.6 -26.3] dr=1.94 t=16760.0ps kin=1.54 pot=21.50 Rg=27.614 SPS=1636
bl=1577 pos[1]=[9.3 3.4 -26.0] dr=1.95 t=16770.0ps kin=1.49 pot=21.57 Rg=27.478 SPS=1615
bl=1578 pos[1]=[10.1 2.0 -27.1] dr=1.95 t=16780.0ps kin=1.53 pot=21.57 Rg=27.497 SPS=1629
bl=1579 pos[1]=[10.9 1.2 -27.7] dr=1.92 t=16790.0ps kin=1.54 pot=21.57 Rg=27.522 SPS=1629
bl=1580 pos[1]=[12.7 -2.5 -27.2] dr=1.94 t=16800.0ps kin=1.53 pot=21.57 Rg=27.672 SPS=1633
bl=1581 pos[1]=[12.4 -3.0 -26.3] dr=1.84 t=16810.0ps kin=1.54 pot=21.55 Rg=27.715 SPS=1647
bl=1582 pos[1]=[12.2 -4.1 -24.9] dr=1.93 t=16820.0ps kin=1.54 pot=21.50 Rg=27.635 SPS=1627
bl=1583 pos[1]=[13.5 -1.2 -22.7] dr=1.89 t=16830.0ps kin=1.47 pot=21.51 Rg=27.573 SPS=1650
bl=1584 pos[1]=[13.3 0.1 -27.1] dr=1.91 t=16840.0ps kin=1.46 pot=21.53 Rg=27.553 SPS=1643
bl=1585 pos[1]=[12.0 -2.7 -26.2] dr=1.89 t=16850.0ps kin=1.50 pot=21.52 Rg=27.442 SPS=1626
bl=1586 pos[1]=[13.0 -2.2 -24.6] dr=1.90 t=16860.0ps kin=1.47 pot=21.51 Rg=27.380 SPS=1687
bl=1587 pos[1]=[14.8 -4.0 -26.8] dr=1.89 t=16870.0ps kin=1.52 pot=21.54 Rg=27.560 SPS=1681
bl=1588 pos[1]=[11.3 -6.8 -27.7] dr=1.97 t=16880.0ps kin=1.53 pot=21.57 Rg=27.586 SPS=1634
bl=1589 pos[1]=[14.5 -6.5 -28.6] dr=1.93 t=16890.0ps kin=1.54 pot=21.50 Rg=27.568 SPS=1640
bl=1590 pos[1]=[12.5 -2.2 -27.1] dr=1.98 t=16900.0ps kin=1.49 pot=21.51 Rg=27.613 SPS=1630
bl=1591 pos[1]=[8.0 0.1 -25.8] dr=1.99 t=16910.0ps kin=1.52 pot=21.48 Rg=27.656 SPS=1620
bl=1592 pos[1]=[9.6 2.1 -25.0] dr=1.96 t=16920.0ps kin=1.49 pot=21.50 Rg=27.632 SPS=1642
bl=1593 pos[1]=[8.9 2.2 -23.5] dr=2.00 t=16930.0ps kin=1.56 pot=21.43 Rg=27.624 SPS=1642
bl=1594 pos[1]=[7.8 0.5 -25.7] dr=1.93 t=16940.0ps kin=1.48 pot=21.52 Rg=27.636 SPS=1640
bl=1595 pos[1]=[6.4 -1.5 -26.8] dr=1.93 t=16950.0ps kin=1.49 pot=21.51 Rg=27.642 SPS=1665
bl=1596 pos[1]=[5.6 -1.5 -25.9] dr=1.95 t=16960.0ps kin=1.55 pot=21.51 Rg=27.614 SPS=1615
bl=1597 pos[1]=[6.7 1.9 -26.5] dr=1.92 t=16970.0ps kin=1.54 pot=21.47 Rg=27.673 SPS=1648
bl=1598 pos[1]=[12.2 4.5 -26.6] dr=1.97 t=16980.0ps kin=1.55 pot=21.53 Rg=27.704 SPS=1636
bl=1599 pos[1]=[13.3 5.8 -24.5] dr=1.86 t=16990.0ps kin=1.47 pot=21.52 Rg=27.663 SPS=1611
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [4.49073548 3.4284193 1.2356489 ] Rg = 27.662647
median bond size is 0.9671763987747121
three shortest/longest (<10)/ bonds are [0.88379488 0.8860416 0.89015277] [1.08200152 1.09153517 1.09794208]
95 percentile of distance to center is: 40.156616645001314
density of closest 95% monomers is: 0.004749231521224057
density of the core monomers is: 0.0034927971622711993
min/median/mean/max coordinates are:
x: -26.01, 2.02, 4.49, 50.29
y: -31.27, 8.26, 3.43, 32.32
z: -29.98, 4.50, 1.24, 25.99
Statistics for velocities:
mean kinetic energy is: 1.477528510346654 should be: 1.5
fastest particles are (in kT): [6.62783909 6.96773452 7.6346711 7.66679608 8.19542266]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.517259805955014
bl=1600 pos[1]=[14.9 3.8 -23.3] dr=1.87 t=17000.0ps kin=1.49 pot=21.51 Rg=27.667 SPS=1630
bl=1601 pos[1]=[14.8 0.9 -22.2] dr=1.94 t=17010.0ps kin=1.52 pot=21.49 Rg=27.616 SPS=1659
bl=1602 pos[1]=[14.6 -1.9 -21.8] dr=1.98 t=17020.0ps kin=1.54 pot=21.52 Rg=27.658 SPS=1636
bl=1603 pos[1]=[13.7 -0.3 -21.8] dr=2.01 t=17030.0ps kin=1.49 pot=21.52 Rg=27.696 SPS=1667
bl=1604 pos[1]=[12.5 -2.0 -21.6] dr=1.90 t=17040.0ps kin=1.48 pot=21.52 Rg=27.742 SPS=1639
bl=1605 pos[1]=[10.8 -3.2 -23.1] dr=1.89 t=17050.0ps kin=1.49 pot=21.50 Rg=27.794 SPS=1606
bl=1606 pos[1]=[12.3 -5.9 -25.3] dr=1.92 t=17060.0ps kin=1.51 pot=21.49 Rg=27.844 SPS=1622
bl=1607 pos[1]=[12.9 -3.9 -23.7] dr=1.95 t=17070.0ps kin=1.50 pot=21.55 Rg=27.891 SPS=1653
bl=1608 pos[1]=[14.6 -4.1 -25.5] dr=1.96 t=17080.0ps kin=1.49 pot=21.51 Rg=27.959 SPS=1630
bl=1609 pos[1]=[15.7 -5.1 -28.8] dr=1.87 t=17090.0ps kin=1.53 pot=21.57 Rg=27.999 SPS=1678
bl=1610 pos[1]=[15.2 -4.5 -28.0] dr=1.85 t=17100.0ps kin=1.56 pot=21.55 Rg=28.036 SPS=1650
bl=1611 pos[1]=[13.6 -2.4 -27.5] dr=1.98 t=17110.0ps kin=1.52 pot=21.59 Rg=28.092 SPS=1632
bl=1612 pos[1]=[12.3 -3.7 -27.7] dr=1.91 t=17120.0ps kin=1.51 pot=21.51 Rg=28.186 SPS=1659
bl=1613 pos[1]=[12.0 -4.2 -28.4] dr=1.91 t=17130.0ps kin=1.48 pot=21.51 Rg=28.276 SPS=1635
bl=1614 pos[1]=[10.2 -8.8 -29.3] dr=1.93 t=17140.0ps kin=1.51 pot=21.52 Rg=28.334 SPS=1629
bl=1615 pos[1]=[9.0 -9.1 -30.5] dr=1.85 t=17150.0ps kin=1.47 pot=21.57 Rg=28.371 SPS=1592
bl=1616 pos[1]=[9.7 -9.9 -28.1] dr=1.92 t=17160.0ps kin=1.49 pot=21.56 Rg=28.414 SPS=1651
bl=1617 pos[1]=[9.1 -8.8 -28.3] dr=1.91 t=17170.0ps kin=1.47 pot=21.54 Rg=28.475 SPS=1639
bl=1618 pos[1]=[10.4 -10.3 -28.7] dr=1.98 t=17180.0ps kin=1.52 pot=21.57 Rg=28.515 SPS=1648
bl=1619 pos[1]=[11.1 -10.9 -27.4] dr=1.90 t=17190.0ps kin=1.52 pot=21.53 Rg=28.564 SPS=1670
bl=1620 pos[1]=[10.7 -7.9 -24.2] dr=1.89 t=17200.0ps kin=1.49 pot=21.49 Rg=28.583 SPS=1664
bl=1621 pos[1]=[11.3 -7.7 -23.8] dr=1.84 t=17210.0ps kin=1.51 pot=21.52 Rg=28.663 SPS=1608
bl=1622 pos[1]=[13.3 -5.3 -25.4] dr=1.89 t=17220.0ps kin=1.48 pot=21.51 Rg=28.563 SPS=1650
bl=1623 pos[1]=[12.4 -3.0 -25.2] dr=1.91 t=17230.0ps kin=1.52 pot=21.48 Rg=28.564 SPS=1639
bl=1624 pos[1]=[13.1 -3.2 -23.9] dr=1.99 t=17240.0ps kin=1.48 pot=21.55 Rg=28.466 SPS=1647
bl=1625 pos[1]=[11.1 -4.0 -24.3] dr=1.90 t=17250.0ps kin=1.50 pot=21.53 Rg=28.402 SPS=1794
bl=1626 pos[1]=[11.7 -7.0 -23.8] dr=1.92 t=17260.0ps kin=1.49 pot=21.51 Rg=28.442 SPS=1623
bl=1627 pos[1]=[14.4 -8.3 -25.4] dr=1.92 t=17270.0ps kin=1.55 pot=21.51 Rg=28.511 SPS=1640
bl=1628 pos[1]=[14.8 -10.3 -25.4] dr=1.92 t=17280.0ps kin=1.52 pot=21.51 Rg=28.596 SPS=1625
bl=1629 pos[1]=[14.2 -11.0 -24.6] dr=1.92 t=17290.0ps kin=1.54 pot=21.52 Rg=28.639 SPS=1600
bl=1630 pos[1]=[14.5 -11.4 -23.9] dr=1.96 t=17300.0ps kin=1.53 pot=21.56 Rg=28.539 SPS=1667
bl=1631 pos[1]=[14.0 -13.1 -24.7] dr=1.99 t=17310.0ps kin=1.55 pot=21.52 Rg=28.412 SPS=1636
bl=1632 pos[1]=[12.1 -10.6 -26.2] dr=1.89 t=17320.0ps kin=1.51 pot=21.52 Rg=28.321 SPS=1662
bl=1633 pos[1]=[11.0 -7.4 -22.9] dr=1.90 t=17330.0ps kin=1.52 pot=21.50 Rg=28.299 SPS=1647
bl=1634 pos[1]=[12.6 -7.3 -19.8] dr=1.91 t=17340.0ps kin=1.47 pot=21.56 Rg=28.305 SPS=1547
bl=1635 pos[1]=[9.9 -7.2 -19.9] dr=1.87 t=17350.0ps kin=1.52 pot=21.54 Rg=28.303 SPS=1661
bl=1636 pos[1]=[10.4 -9.2 -22.5] dr=1.91 t=17360.0ps kin=1.54 pot=21.49 Rg=28.285 SPS=1673
bl=1637 pos[1]=[9.8 -6.7 -24.6] dr=1.93 t=17370.0ps kin=1.51 pot=21.51 Rg=28.347 SPS=1668
bl=1638 pos[1]=[9.9 -7.1 -24.6] dr=1.91 t=17380.0ps kin=1.50 pot=21.50 Rg=28.305 SPS=1648
bl=1639 pos[1]=[11.9 -5.7 -24.0] dr=1.93 t=17390.0ps kin=1.56 pot=21.48 Rg=28.254 SPS=1645
bl=1640 pos[1]=[12.2 -2.8 -25.1] dr=2.00 t=17400.0ps kin=1.48 pot=21.53 Rg=28.233 SPS=1621
bl=1641 pos[1]=[13.7 -0.2 -25.2] dr=1.95 t=17410.0ps kin=1.48 pot=21.55 Rg=28.274 SPS=1610
bl=1642 pos[1]=[15.7 1.2 -22.6] dr=2.00 t=17420.0ps kin=1.57 pot=21.56 Rg=28.273 SPS=1622
bl=1643 pos[1]=[16.6 -1.3 -23.7] dr=1.95 t=17430.0ps kin=1.50 pot=21.48 Rg=28.290 SPS=1635
bl=1644 pos[1]=[16.9 -0.5 -25.7] dr=1.94 t=17440.0ps kin=1.52 pot=21.51 Rg=28.234 SPS=1693
bl=1645 pos[1]=[16.8 2.7 -26.4] dr=1.92 t=17450.0ps kin=1.48 pot=21.51 Rg=28.205 SPS=1668
bl=1646 pos[1]=[13.2 3.8 -27.5] dr=1.93 t=17460.0ps kin=1.53 pot=21.51 Rg=28.292 SPS=1675
bl=1647 pos[1]=[13.5 1.8 -28.1] dr=1.97 t=17470.0ps kin=1.52 pot=21.50 Rg=28.366 SPS=1699
bl=1648 pos[1]=[12.9 -0.6 -24.6] dr=1.95 t=17480.0ps kin=1.51 pot=21.48 Rg=28.418 SPS=1637
bl=1649 pos[1]=[10.6 -3.3 -26.2] dr=1.98 t=17490.0ps kin=1.43 pot=21.48 Rg=28.554 SPS=974
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.43341115 2.40309547 2.12845226] Rg = 28.554293
median bond size is 0.9701371484485048
three shortest/longest (<10)/ bonds are [0.87746719 0.88137313 0.89132095] [1.08949118 1.09429204 1.0943598 ]
95 percentile of distance to center is: 40.700863520110346
density of closest 95% monomers is: 0.004561249357884639
density of the core monomers is: 0.0028022446564950868
min/median/mean/max coordinates are:
x: -21.50, 5.01, 6.43, 50.97
y: -32.75, 8.39, 2.40, 31.18
z: -34.06, 4.72, 2.13, 25.91
Statistics for velocities:
mean kinetic energy is: 1.4355080138981604 should be: 1.5
fastest particles are (in kT): [6.62404197 6.63030698 6.68917064 7.06338981 9.82829465]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.476424225663717
bl=1650 pos[1]=[13.5 -0.8 -29.5] dr=1.94 t=17500.0ps kin=1.48 pot=21.50 Rg=28.527 SPS=1043
bl=1651 pos[1]=[13.8 1.6 -30.6] dr=1.98 t=17510.0ps kin=1.48 pot=21.51 Rg=28.505 SPS=1624
bl=1652 pos[1]=[15.1 3.0 -30.4] dr=1.96 t=17520.0ps kin=1.50 pot=21.45 Rg=28.440 SPS=1222
bl=1653 pos[1]=[13.8 3.9 -34.5] dr=1.97 t=17530.0ps kin=1.50 pot=21.49 Rg=28.383 SPS=1363
bl=1654 pos[1]=[13.0 4.3 -33.8] dr=1.91 t=17540.0ps kin=1.46 pot=21.49 Rg=28.360 SPS=1650
bl=1655 pos[1]=[13.1 0.8 -34.7] dr=1.90 t=17550.0ps kin=1.47 pot=21.51 Rg=28.320 SPS=1633
bl=1656 pos[1]=[12.1 1.7 -35.2] dr=1.89 t=17560.0ps kin=1.41 pot=21.53 Rg=28.242 SPS=1620
bl=1657 pos[1]=[14.7 0.8 -34.0] dr=1.90 t=17570.0ps kin=1.52 pot=21.52 Rg=28.340 SPS=1598
bl=1658 pos[1]=[12.7 0.6 -35.5] dr=1.98 t=17580.0ps kin=1.48 pot=21.50 Rg=28.460 SPS=1310
bl=1659 pos[1]=[13.7 -0.8 -35.1] dr=1.94 t=17590.0ps kin=1.49 pot=21.46 Rg=28.579 SPS=1261
bl=1660 pos[1]=[13.6 -0.8 -37.3] dr=1.92 t=17600.0ps kin=1.49 pot=21.50 Rg=28.637 SPS=1295
bl=1661 pos[1]=[13.4 1.5 -37.9] dr=1.94 t=17610.0ps kin=1.49 pot=21.50 Rg=28.605 SPS=1654
bl=1662 pos[1]=[14.6 2.7 -33.7] dr=1.85 t=17620.0ps kin=1.46 pot=21.52 Rg=28.622 SPS=1627
bl=1663 pos[1]=[12.4 3.1 -29.3] dr=1.90 t=17630.0ps kin=1.47 pot=21.51 Rg=28.659 SPS=1414
bl=1664 pos[1]=[12.4 4.7 -29.3] dr=1.89 t=17640.0ps kin=1.51 pot=21.49 Rg=28.652 SPS=1019
bl=1665 pos[1]=[14.1 5.9 -27.2] dr=1.86 t=17650.0ps kin=1.45 pot=21.51 Rg=28.620 SPS=1015
bl=1666 pos[1]=[16.0 5.4 -26.1] dr=1.90 t=17660.0ps kin=1.52 pot=21.51 Rg=28.710 SPS=959
bl=1667 pos[1]=[14.3 6.0 -27.1] dr=1.98 t=17670.0ps kin=1.54 pot=21.52 Rg=28.642 SPS=978
bl=1668 pos[1]=[15.3 5.0 -28.1] dr=1.93 t=17680.0ps kin=1.52 pot=21.52 Rg=28.684 SPS=1171
bl=1669 pos[1]=[14.8 3.6 -29.5] dr=1.92 t=17690.0ps kin=1.45 pot=21.56 Rg=28.682 SPS=1237
bl=1670 pos[1]=[13.0 2.3 -31.6] dr=1.84 t=17700.0ps kin=1.50 pot=21.54 Rg=28.758 SPS=1621
bl=1671 pos[1]=[15.9 1.1 -31.6] dr=1.93 t=17710.0ps kin=1.49 pot=21.52 Rg=28.923 SPS=1008
bl=1672 pos[1]=[14.1 3.6 -31.2] dr=1.89 t=17720.0ps kin=1.48 pot=21.48 Rg=29.004 SPS=970
bl=1673 pos[1]=[13.1 2.1 -28.9] dr=1.91 t=17730.0ps kin=1.52 pot=21.56 Rg=28.985 SPS=959
bl=1674 pos[1]=[14.4 3.0 -29.4] dr=1.99 t=17740.0ps kin=1.52 pot=21.52 Rg=29.031 SPS=1340
bl=1675 pos[1]=[12.4 6.6 -27.7] dr=1.94 t=17750.0ps kin=1.43 pot=21.56 Rg=29.042 SPS=1641
bl=1676 pos[1]=[10.0 3.5 -27.0] dr=1.93 t=17760.0ps kin=1.53 pot=21.51 Rg=29.071 SPS=1665
bl=1677 pos[1]=[8.4 3.0 -30.0] dr=1.94 t=17770.0ps kin=1.48 pot=21.50 Rg=29.090 SPS=1690
bl=1678 pos[1]=[6.5 4.9 -33.4] dr=1.99 t=17780.0ps kin=1.49 pot=21.45 Rg=29.036 SPS=1651
bl=1679 pos[1]=[5.3 5.0 -30.8] dr=1.92 t=17790.0ps kin=1.49 pot=21.51 Rg=28.988 SPS=1339
bl=1680 pos[1]=[6.7 4.5 -31.9] dr=1.91 t=17800.0ps kin=1.45 pot=21.51 Rg=29.033 SPS=1674
bl=1681 pos[1]=[9.1 7.3 -32.8] dr=1.91 t=17810.0ps kin=1.46 pot=21.51 Rg=29.134 SPS=1649
bl=1682 pos[1]=[10.4 8.4 -30.8] dr=1.88 t=17820.0ps kin=1.52 pot=21.49 Rg=29.259 SPS=1397
bl=1683 pos[1]=[10.3 7.7 -30.3] dr=1.84 t=17830.0ps kin=1.48 pot=21.47 Rg=29.208 SPS=1566
bl=1684 pos[1]=[9.5 5.9 -30.0] dr=1.93 t=17840.0ps kin=1.47 pot=21.53 Rg=29.082 SPS=1627
bl=1685 pos[1]=[7.4 7.3 -29.7] dr=1.93 t=17850.0ps kin=1.48 pot=21.52 Rg=28.990 SPS=1594
bl=1686 pos[1]=[10.0 7.4 -31.9] dr=1.95 t=17860.0ps kin=1.52 pot=21.50 Rg=28.969 SPS=1614
bl=1687 pos[1]=[12.0 7.0 -29.7] dr=1.86 t=17870.0ps kin=1.46 pot=21.53 Rg=28.963 SPS=1420
bl=1688 pos[1]=[10.8 4.3 -29.7] dr=1.85 t=17880.0ps kin=1.52 pot=21.47 Rg=28.868 SPS=1026
bl=1689 pos[1]=[9.5 4.0 -29.6] dr=1.95 t=17890.0ps kin=1.43 pot=21.49 Rg=28.850 SPS=1148
bl=1690 pos[1]=[9.0 6.6 -30.7] dr=1.95 t=17900.0ps kin=1.48 pot=21.49 Rg=28.862 SPS=1475
bl=1691 pos[1]=[6.7 6.1 -33.7] dr=1.94 t=17910.0ps kin=1.49 pot=21.49 Rg=28.835 SPS=1296
bl=1692 pos[1]=[6.6 6.3 -33.1] dr=1.94 t=17920.0ps kin=1.52 pot=21.53 Rg=28.823 SPS=1208
bl=1693 pos[1]=[8.0 4.7 -31.9] dr=1.87 t=17930.0ps kin=1.42 pot=21.54 Rg=28.804 SPS=1209
bl=1694 pos[1]=[9.0 4.1 -31.8] dr=1.88 t=17940.0ps kin=1.48 pot=21.53 Rg=28.715 SPS=1365
bl=1695 pos[1]=[9.3 1.9 -27.8] dr=1.90 t=17950.0ps kin=1.51 pot=21.47 Rg=28.649 SPS=1479
bl=1696 pos[1]=[7.7 2.8 -25.6] dr=1.94 t=17960.0ps kin=1.50 pot=21.49 Rg=28.645 SPS=1607
bl=1697 pos[1]=[10.0 2.4 -23.9] dr=1.89 t=17970.0ps kin=1.49 pot=21.52 Rg=28.670 SPS=1672
bl=1698 pos[1]=[15.8 5.1 -24.0] dr=2.02 t=17980.0ps kin=1.49 pot=21.50 Rg=28.717 SPS=1608
bl=1699 pos[1]=[15.8 4.3 -25.7] dr=1.96 t=17990.0ps kin=1.48 pot=21.53 Rg=28.726 SPS=1083
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.20212065 2.34767875 2.89260324] Rg = 28.726233
median bond size is 0.9707316231846805
three shortest/longest (<10)/ bonds are [0.88160218 0.88562548 0.89245256] [1.08433336 1.08748591 1.08844655]
95 percentile of distance to center is: 40.223796748167636
density of closest 95% monomers is: 0.004725475338400988
density of the core monomers is: 0.00441008394496624
min/median/mean/max coordinates are:
x: -24.21, 2.37, 5.20, 50.11
y: -34.32, 10.23, 2.35, 30.84
z: -35.07, 5.49, 2.89, 26.33
Statistics for velocities:
mean kinetic energy is: 1.48444889253561 should be: 1.5
fastest particles are (in kT): [ 7.26103902 7.91135257 8.24963987 9.15554973 11.37920876]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.533399013643066
bl=1700 pos[1]=[14.1 4.5 -27.6] dr=1.97 t=18000.0ps kin=1.49 pot=21.51 Rg=28.792 SPS=1084
bl=1701 pos[1]=[13.6 3.1 -26.4] dr=1.94 t=18010.0ps kin=1.51 pot=21.45 Rg=28.814 SPS=983
bl=1702 pos[1]=[14.2 2.7 -24.9] dr=1.90 t=18020.0ps kin=1.48 pot=21.49 Rg=28.834 SPS=1066
bl=1703 pos[1]=[15.1 4.5 -26.5] dr=1.90 t=18030.0ps kin=1.47 pot=21.53 Rg=28.907 SPS=1228
bl=1704 pos[1]=[11.0 5.4 -24.8] dr=1.89 t=18040.0ps kin=1.55 pot=21.47 Rg=29.033 SPS=1619
bl=1705 pos[1]=[13.2 4.9 -28.2] dr=1.94 t=18050.0ps kin=1.50 pot=21.55 Rg=29.083 SPS=1091
bl=1706 pos[1]=[10.6 3.3 -25.9] dr=1.95 t=18060.0ps kin=1.48 pot=21.56 Rg=29.081 SPS=1001
bl=1707 pos[1]=[11.6 4.1 -24.7] dr=1.85 t=18070.0ps kin=1.46 pot=21.52 Rg=29.118 SPS=1253
bl=1708 pos[1]=[13.3 3.6 -24.0] dr=1.88 t=18080.0ps kin=1.49 pot=21.53 Rg=29.055 SPS=1130
bl=1709 pos[1]=[15.1 1.0 -24.1] dr=1.92 t=18090.0ps kin=1.45 pot=21.50 Rg=29.104 SPS=1214
bl=1710 pos[1]=[11.4 1.6 -23.3] dr=1.92 t=18100.0ps kin=1.57 pot=21.49 Rg=29.178 SPS=1452
bl=1711 pos[1]=[11.1 3.0 -26.4] dr=1.89 t=18110.0ps kin=1.44 pot=21.54 Rg=29.262 SPS=1718
bl=1712 pos[1]=[9.1 4.5 -25.4] dr=1.93 t=18120.0ps kin=1.48 pot=21.55 Rg=29.360 SPS=1679
bl=1713 pos[1]=[8.5 4.8 -26.8] dr=1.90 t=18130.0ps kin=1.52 pot=21.55 Rg=29.429 SPS=1640
bl=1714 pos[1]=[9.3 5.4 -26.1] dr=1.89 t=18140.0ps kin=1.47 pot=21.55 Rg=29.471 SPS=1641
bl=1715 pos[1]=[9.0 7.9 -28.6] dr=1.81 t=18150.0ps kin=1.42 pot=21.48 Rg=29.546 SPS=1654
bl=1716 pos[1]=[9.8 8.0 -28.4] dr=1.93 t=18160.0ps kin=1.48 pot=21.50 Rg=29.736 SPS=1636
bl=1717 pos[1]=[11.5 5.5 -29.3] dr=1.96 t=18170.0ps kin=1.52 pot=21.48 Rg=29.827 SPS=1650
bl=1718 pos[1]=[13.2 5.9 -28.8] dr=1.95 t=18180.0ps kin=1.52 pot=21.49 Rg=29.919 SPS=1219
bl=1719 pos[1]=[13.3 6.8 -32.0] dr=2.01 t=18190.0ps kin=1.52 pot=21.50 Rg=29.952 SPS=1326
bl=1720 pos[1]=[10.5 5.1 -31.8] dr=1.97 t=18200.0ps kin=1.54 pot=21.51 Rg=29.850 SPS=1503
bl=1721 pos[1]=[12.7 6.1 -32.8] dr=1.96 t=18210.0ps kin=1.49 pot=21.53 Rg=29.771 SPS=1531
bl=1722 pos[1]=[12.6 6.4 -32.0] dr=1.91 t=18220.0ps kin=1.50 pot=21.49 Rg=29.599 SPS=1159
bl=1723 pos[1]=[11.1 6.2 -30.4] dr=1.92 t=18230.0ps kin=1.55 pot=21.48 Rg=29.532 SPS=1256
bl=1724 pos[1]=[13.4 6.6 -29.4] dr=1.94 t=18240.0ps kin=1.55 pot=21.50 Rg=29.559 SPS=1400
bl=1725 pos[1]=[12.0 5.5 -29.5] dr=1.90 t=18250.0ps kin=1.47 pot=21.54 Rg=29.503 SPS=1471
bl=1726 pos[1]=[13.2 4.3 -28.9] dr=1.90 t=18260.0ps kin=1.48 pot=21.46 Rg=29.519 SPS=1628
bl=1727 pos[1]=[11.3 4.1 -25.6] dr=1.90 t=18270.0ps kin=1.54 pot=21.52 Rg=29.488 SPS=1407
bl=1728 pos[1]=[12.0 2.7 -24.0] dr=1.92 t=18280.0ps kin=1.47 pot=21.55 Rg=29.491 SPS=1249
bl=1729 pos[1]=[11.4 -0.1 -24.4] dr=1.94 t=18290.0ps kin=1.52 pot=21.48 Rg=29.560 SPS=1601
bl=1730 pos[1]=[10.1 -1.5 -23.6] dr=1.94 t=18300.0ps kin=1.46 pot=21.51 Rg=29.550 SPS=1656
bl=1731 pos[1]=[10.4 -3.1 -27.1] dr=1.97 t=18310.0ps kin=1.52 pot=21.45 Rg=29.511 SPS=1672
bl=1732 pos[1]=[9.1 -1.2 -26.2] dr=1.99 t=18320.0ps kin=1.45 pot=21.51 Rg=29.442 SPS=1645
bl=1733 pos[1]=[9.6 -1.5 -28.0] dr=1.91 t=18330.0ps kin=1.53 pot=21.49 Rg=29.426 SPS=1594
bl=1734 pos[1]=[9.6 -2.1 -27.7] dr=1.96 t=18340.0ps kin=1.50 pot=21.48 Rg=29.372 SPS=1153
bl=1735 pos[1]=[8.5 -2.5 -24.8] dr=1.95 t=18350.0ps kin=1.47 pot=21.48 Rg=29.267 SPS=1253
bl=1736 pos[1]=[5.1 -2.2 -24.3] dr=1.96 t=18360.0ps kin=1.52 pot=21.50 Rg=29.266 SPS=1205
bl=1737 pos[1]=[4.6 -3.1 -24.4] dr=2.04 t=18370.0ps kin=1.48 pot=21.57 Rg=29.352 SPS=1619
bl=1738 pos[1]=[7.6 -6.4 -26.0] dr=1.89 t=18380.0ps kin=1.58 pot=21.54 Rg=29.432 SPS=1627
bl=1739 pos[1]=[7.3 -7.3 -29.6] dr=1.96 t=18390.0ps kin=1.49 pot=21.56 Rg=29.459 SPS=1678
bl=1740 pos[1]=[8.8 -6.1 -29.4] dr=1.92 t=18400.0ps kin=1.53 pot=21.49 Rg=29.605 SPS=1653
bl=1741 pos[1]=[11.3 -7.6 -29.7] dr=2.00 t=18410.0ps kin=1.49 pot=21.49 Rg=29.831 SPS=1626
bl=1742 pos[1]=[11.3 -7.3 -30.4] dr=1.99 t=18420.0ps kin=1.49 pot=21.55 Rg=29.939 SPS=1687
bl=1743 pos[1]=[8.2 -6.3 -32.2] dr=1.90 t=18430.0ps kin=1.45 pot=21.54 Rg=29.918 SPS=1654
bl=1744 pos[1]=[7.3 -5.8 -31.8] dr=1.92 t=18440.0ps kin=1.49 pot=21.52 Rg=29.858 SPS=1639
bl=1745 pos[1]=[8.6 -3.5 -28.5] dr=1.94 t=18450.0ps kin=1.52 pot=21.49 Rg=29.772 SPS=1653
bl=1746 pos[1]=[10.6 -2.7 -28.4] dr=1.86 t=18460.0ps kin=1.47 pot=21.48 Rg=29.815 SPS=1676
bl=1747 pos[1]=[6.9 -4.4 -28.4] dr=1.95 t=18470.0ps kin=1.48 pot=21.50 Rg=29.803 SPS=1652
bl=1748 pos[1]=[6.5 -5.0 -27.3] dr=1.93 t=18480.0ps kin=1.50 pot=21.50 Rg=29.726 SPS=1608
bl=1749 pos[1]=[5.8 -4.4 -28.1] dr=2.02 t=18490.0ps kin=1.49 pot=21.51 Rg=29.698 SPS=1632
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.5582018 1.17529679 2.40186351] Rg = 29.697964
median bond size is 0.9686478252274835
three shortest/longest (<10)/ bonds are [0.86899584 0.88331989 0.8850985 ] [1.07775068 1.07838768 1.08904874]
95 percentile of distance to center is: 44.185353703425164
density of closest 95% monomers is: 0.0035650011798153865
density of the core monomers is: 0.0057237275090831685
min/median/mean/max coordinates are:
x: -23.24, 4.14, 6.56, 51.51
y: -36.91, 7.69, 1.18, 31.89
z: -32.63, 4.43, 2.40, 32.40
Statistics for velocities:
mean kinetic energy is: 1.4992337366440305 should be: 1.5
fastest particles are (in kT): [6.92639076 7.23778217 7.68648006 7.75902973 8.28801722]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.507708794247787
bl=1750 pos[1]=[4.9 -4.2 -26.2] dr=1.92 t=18500.0ps kin=1.54 pot=21.46 Rg=29.738 SPS=1630
bl=1751 pos[1]=[5.7 -2.9 -27.5] dr=1.92 t=18510.0ps kin=1.50 pot=21.49 Rg=29.708 SPS=1633
bl=1752 pos[1]=[6.0 -5.7 -26.6] dr=1.98 t=18520.0ps kin=1.52 pot=21.52 Rg=29.724 SPS=1647
bl=1753 pos[1]=[6.7 -8.2 -26.7] dr=1.91 t=18530.0ps kin=1.49 pot=21.52 Rg=29.781 SPS=1655
bl=1754 pos[1]=[6.3 -5.9 -28.2] dr=1.95 t=18540.0ps kin=1.48 pot=21.50 Rg=29.739 SPS=1639
bl=1755 pos[1]=[12.0 -8.0 -29.2] dr=1.92 t=18550.0ps kin=1.48 pot=21.54 Rg=29.620 SPS=1626
bl=1756 pos[1]=[11.3 -8.5 -32.5] dr=1.97 t=18560.0ps kin=1.50 pot=21.51 Rg=29.470 SPS=1675
bl=1757 pos[1]=[10.2 -10.1 -31.1] dr=1.90 t=18570.0ps kin=1.47 pot=21.54 Rg=29.396 SPS=1407
bl=1758 pos[1]=[11.4 -10.1 -32.9] dr=1.93 t=18580.0ps kin=1.50 pot=21.49 Rg=29.347 SPS=1692
bl=1759 pos[1]=[13.7 -7.5 -35.6] dr=1.90 t=18590.0ps kin=1.50 pot=21.53 Rg=29.343 SPS=1597
bl=1760 pos[1]=[13.9 -6.5 -32.1] dr=1.93 t=18600.0ps kin=1.49 pot=21.48 Rg=29.373 SPS=1687
bl=1761 pos[1]=[13.1 -6.1 -32.5] dr=1.95 t=18610.0ps kin=1.53 pot=21.43 Rg=29.397 SPS=1669
bl=1762 pos[1]=[12.0 -6.2 -31.8] dr=1.94 t=18620.0ps kin=1.48 pot=21.49 Rg=29.328 SPS=1688
bl=1763 pos[1]=[11.4 -4.8 -32.1] dr=1.97 t=18630.0ps kin=1.46 pot=21.51 Rg=29.254 SPS=1660
bl=1764 pos[1]=[11.1 -5.4 -33.1] dr=1.96 t=18640.0ps kin=1.50 pot=21.49 Rg=29.264 SPS=1627
bl=1765 pos[1]=[11.1 -6.0 -32.4] dr=1.97 t=18650.0ps kin=1.56 pot=21.50 Rg=29.261 SPS=1652
bl=1766 pos[1]=[8.2 -6.7 -31.0] dr=1.93 t=18660.0ps kin=1.47 pot=21.50 Rg=29.320 SPS=1639
bl=1767 pos[1]=[7.6 -3.9 -30.8] dr=1.95 t=18670.0ps kin=1.50 pot=21.49 Rg=29.401 SPS=1641
bl=1768 pos[1]=[9.1 -1.6 -34.7] dr=1.90 t=18680.0ps kin=1.47 pot=21.51 Rg=29.507 SPS=1665
bl=1769 pos[1]=[9.3 -1.5 -37.5] dr=1.88 t=18690.0ps kin=1.53 pot=21.50 Rg=29.569 SPS=1619
bl=1770 pos[1]=[10.0 -3.3 -39.2] dr=1.91 t=18700.0ps kin=1.47 pot=21.50 Rg=29.542 SPS=1684
bl=1771 pos[1]=[10.7 -3.9 -36.9] dr=1.93 t=18710.0ps kin=1.46 pot=21.46 Rg=29.542 SPS=1663
bl=1772 pos[1]=[7.7 -5.0 -38.8] dr=1.92 t=18720.0ps kin=1.55 pot=21.48 Rg=29.530 SPS=1642
bl=1773 pos[1]=[10.4 -6.6 -39.3] dr=1.91 t=18730.0ps kin=1.54 pot=21.51 Rg=29.541 SPS=1640
bl=1774 pos[1]=[10.2 -8.7 -36.5] dr=1.96 t=18740.0ps kin=1.51 pot=21.52 Rg=29.608 SPS=1616
bl=1775 pos[1]=[8.9 -8.5 -35.2] dr=1.90 t=18750.0ps kin=1.50 pot=21.48 Rg=29.610 SPS=1658
bl=1776 pos[1]=[7.0 -7.2 -35.4] dr=1.88 t=18760.0ps kin=1.50 pot=21.52 Rg=29.652 SPS=1664
bl=1777 pos[1]=[7.0 -6.0 -35.3] dr=1.93 t=18770.0ps kin=1.46 pot=21.47 Rg=29.733 SPS=1642
bl=1778 pos[1]=[7.3 -3.2 -39.1] dr=1.96 t=18780.0ps kin=1.48 pot=21.54 Rg=29.761 SPS=1650
bl=1779 pos[1]=[8.3 -2.3 -37.3] dr=1.91 t=18790.0ps kin=1.48 pot=21.52 Rg=29.727 SPS=1610
bl=1780 pos[1]=[10.3 -3.5 -35.2] dr=1.95 t=18800.0ps kin=1.55 pot=21.50 Rg=29.708 SPS=1657
bl=1781 pos[1]=[9.0 -4.9 -33.5] dr=2.04 t=18810.0ps kin=1.52 pot=21.49 Rg=29.769 SPS=1644
bl=1782 pos[1]=[7.0 -4.8 -34.8] dr=1.92 t=18820.0ps kin=1.50 pot=21.51 Rg=29.861 SPS=1640
bl=1783 pos[1]=[5.9 -5.9 -33.5] dr=1.92 t=18830.0ps kin=1.48 pot=21.49 Rg=29.769 SPS=1614
bl=1784 pos[1]=[7.0 -5.1 -32.5] dr=1.89 t=18840.0ps kin=1.42 pot=21.46 Rg=29.700 SPS=1630
bl=1785 pos[1]=[4.8 -4.7 -31.0] dr=1.89 t=18850.0ps kin=1.53 pot=21.47 Rg=29.632 SPS=1683
bl=1786 pos[1]=[4.8 -3.3 -29.9] dr=1.95 t=18860.0ps kin=1.51 pot=21.54 Rg=29.571 SPS=1663
bl=1787 pos[1]=[5.3 -4.6 -29.9] dr=1.92 t=18870.0ps kin=1.52 pot=21.53 Rg=29.551 SPS=1652
bl=1788 pos[1]=[3.3 -6.2 -30.3] dr=1.89 t=18880.0ps kin=1.44 pot=21.52 Rg=29.531 SPS=1538
bl=1789 pos[1]=[4.9 -8.7 -30.8] dr=1.89 t=18890.0ps kin=1.49 pot=21.47 Rg=29.577 SPS=1625
bl=1790 pos[1]=[5.4 -8.6 -32.5] dr=1.86 t=18900.0ps kin=1.52 pot=21.50 Rg=29.601 SPS=1679
bl=1791 pos[1]=[6.6 -10.9 -32.3] dr=1.84 t=18910.0ps kin=1.44 pot=21.51 Rg=29.551 SPS=1642
bl=1792 pos[1]=[4.7 -11.2 -32.7] dr=1.87 t=18920.0ps kin=1.44 pot=21.50 Rg=29.550 SPS=1602
bl=1793 pos[1]=[2.9 -11.0 -32.8] dr=1.94 t=18930.0ps kin=1.51 pot=21.47 Rg=29.588 SPS=1620
bl=1794 pos[1]=[4.4 -10.1 -33.3] dr=1.93 t=18940.0ps kin=1.49 pot=21.52 Rg=29.563 SPS=1649
bl=1795 pos[1]=[5.2 -6.6 -32.6] dr=1.90 t=18950.0ps kin=1.52 pot=21.53 Rg=29.588 SPS=1668
bl=1796 pos[1]=[3.1 -6.0 -29.0] dr=1.91 t=18960.0ps kin=1.51 pot=21.58 Rg=29.610 SPS=1631
bl=1797 pos[1]=[6.5 -6.4 -26.2] dr=1.95 t=18970.0ps kin=1.48 pot=21.54 Rg=29.637 SPS=1680
bl=1798 pos[1]=[7.7 -5.8 -28.9] dr=1.89 t=18980.0ps kin=1.50 pot=21.55 Rg=29.623 SPS=1684
bl=1799 pos[1]=[6.8 -8.2 -29.3] dr=1.92 t=18990.0ps kin=1.48 pot=21.57 Rg=29.623 SPS=1680
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.73429623 2.08331225 2.40550942] Rg = 29.623085
median bond size is 0.9695138608101206
three shortest/longest (<10)/ bonds are [0.88130581 0.8881575 0.89125839] [1.10174501 1.11243463 1.13140345]
95 percentile of distance to center is: 42.82183270936337
density of closest 95% monomers is: 0.003916507242772344
density of the core monomers is: 0.0027483280343569526
min/median/mean/max coordinates are:
x: -18.27, 3.90, 6.73, 46.22
y: -40.57, 9.28, 2.08, 36.96
z: -33.42, 4.07, 2.41, 34.89
Statistics for velocities:
mean kinetic energy is: 1.4858467168864933 should be: 1.5
fastest particles are (in kT): [ 6.50202726 8.03808254 8.08594548 8.92793099 12.95439153]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.56835217321165
bl=1800 pos[1]=[9.0 -9.2 -26.5] dr=1.92 t=19000.0ps kin=1.51 pot=21.52 Rg=29.639 SPS=1643
bl=1801 pos[1]=[10.2 -9.3 -26.2] dr=1.90 t=19010.0ps kin=1.51 pot=21.50 Rg=29.608 SPS=1650
bl=1802 pos[1]=[10.9 -9.8 -27.6] dr=1.84 t=19020.0ps kin=1.46 pot=21.49 Rg=29.549 SPS=1698
bl=1803 pos[1]=[12.5 -9.8 -29.0] dr=1.87 t=19030.0ps kin=1.48 pot=21.49 Rg=29.484 SPS=1666
bl=1804 pos[1]=[13.8 -10.9 -28.8] dr=1.96 t=19040.0ps kin=1.49 pot=21.47 Rg=29.537 SPS=1670
bl=1805 pos[1]=[13.0 -10.6 -27.5] dr=1.97 t=19050.0ps kin=1.57 pot=21.55 Rg=29.626 SPS=1691
bl=1806 pos[1]=[12.8 -11.4 -29.2] dr=1.94 t=19060.0ps kin=1.50 pot=21.52 Rg=29.744 SPS=1629
bl=1807 pos[1]=[13.9 -11.9 -31.2] dr=1.91 t=19070.0ps kin=1.54 pot=21.54 Rg=29.800 SPS=1596
bl=1808 pos[1]=[11.5 -11.8 -30.0] dr=1.92 t=19080.0ps kin=1.49 pot=21.56 Rg=29.828 SPS=1633
bl=1809 pos[1]=[11.6 -9.7 -30.6] dr=2.01 t=19090.0ps kin=1.51 pot=21.52 Rg=29.886 SPS=1648
bl=1810 pos[1]=[11.8 -12.9 -27.9] dr=1.94 t=19100.0ps kin=1.51 pot=21.53 Rg=29.795 SPS=1660
bl=1811 pos[1]=[11.3 -12.6 -26.8] dr=1.90 t=19110.0ps kin=1.47 pot=21.57 Rg=29.643 SPS=1647
bl=1812 pos[1]=[8.0 -10.6 -23.7] dr=1.95 t=19120.0ps kin=1.49 pot=21.54 Rg=29.564 SPS=1673
bl=1813 pos[1]=[7.2 -11.0 -21.3] dr=1.93 t=19130.0ps kin=1.51 pot=21.46 Rg=29.470 SPS=1630
bl=1814 pos[1]=[9.9 -12.7 -22.9] dr=1.94 t=19140.0ps kin=1.50 pot=21.51 Rg=29.477 SPS=1639
bl=1815 pos[1]=[8.4 -11.8 -25.5] dr=1.97 t=19150.0ps kin=1.43 pot=21.51 Rg=29.543 SPS=1633
bl=1816 pos[1]=[6.4 -11.5 -23.5] dr=1.88 t=19160.0ps kin=1.40 pot=21.54 Rg=29.671 SPS=1583
bl=1817 pos[1]=[5.0 -10.5 -23.3] dr=1.96 t=19170.0ps kin=1.49 pot=21.49 Rg=29.762 SPS=1607
bl=1818 pos[1]=[4.8 -10.1 -20.8] dr=1.87 t=19180.0ps kin=1.48 pot=21.50 Rg=29.902 SPS=1594
bl=1819 pos[1]=[7.0 -8.4 -21.6] dr=1.99 t=19190.0ps kin=1.54 pot=21.50 Rg=29.904 SPS=1558
bl=1820 pos[1]=[9.0 -8.3 -22.2] dr=1.94 t=19200.0ps kin=1.50 pot=21.47 Rg=29.912 SPS=1619
bl=1821 pos[1]=[11.8 -10.2 -24.5] dr=1.88 t=19210.0ps kin=1.46 pot=21.48 Rg=29.847 SPS=1621
bl=1822 pos[1]=[11.5 -11.4 -25.6] dr=1.94 t=19220.0ps kin=1.49 pot=21.47 Rg=29.799 SPS=1637
bl=1823 pos[1]=[10.2 -10.7 -25.5] dr=1.96 t=19230.0ps kin=1.48 pot=21.48 Rg=29.770 SPS=1617
bl=1824 pos[1]=[9.9 -8.5 -21.1] dr=1.98 t=19240.0ps kin=1.51 pot=21.49 Rg=29.771 SPS=1609
bl=1825 pos[1]=[6.0 -7.2 -20.3] dr=1.94 t=19250.0ps kin=1.46 pot=21.48 Rg=29.835 SPS=1628
bl=1826 pos[1]=[4.6 -9.4 -22.9] dr=1.87 t=19260.0ps kin=1.45 pot=21.52 Rg=29.886 SPS=1611
bl=1827 pos[1]=[4.0 -10.5 -22.7] dr=1.84 t=19270.0ps kin=1.49 pot=21.53 Rg=29.938 SPS=1626
bl=1828 pos[1]=[3.5 -10.1 -23.3] dr=1.87 t=19280.0ps kin=1.47 pot=21.53 Rg=30.017 SPS=1603
bl=1829 pos[1]=[4.8 -10.5 -24.6] dr=1.84 t=19290.0ps kin=1.51 pot=21.51 Rg=30.178 SPS=1601
bl=1830 pos[1]=[7.6 -11.3 -26.6] dr=1.97 t=19300.0ps kin=1.57 pot=21.51 Rg=30.308 SPS=1623
bl=1831 pos[1]=[8.5 -10.4 -26.0] dr=2.02 t=19310.0ps kin=1.57 pot=21.54 Rg=30.373 SPS=1622
bl=1832 pos[1]=[8.2 -10.0 -26.6] dr=1.98 t=19320.0ps kin=1.57 pot=21.46 Rg=30.347 SPS=1614
bl=1833 pos[1]=[4.5 -9.3 -29.5] dr=2.00 t=19330.0ps kin=1.51 pot=21.46 Rg=30.325 SPS=1622
bl=1834 pos[1]=[4.5 -11.2 -29.1] dr=1.93 t=19340.0ps kin=1.47 pot=21.49 Rg=30.339 SPS=1660
bl=1835 pos[1]=[2.8 -10.5 -29.6] dr=1.96 t=19350.0ps kin=1.49 pot=21.46 Rg=30.333 SPS=1612
bl=1836 pos[1]=[3.9 -10.0 -29.8] dr=1.93 t=19360.0ps kin=1.49 pot=21.50 Rg=30.286 SPS=1586
bl=1837 pos[1]=[4.5 -12.4 -26.6] dr=1.90 t=19370.0ps kin=1.54 pot=21.55 Rg=30.241 SPS=1616
bl=1838 pos[1]=[3.1 -8.7 -24.5] dr=1.95 t=19380.0ps kin=1.52 pot=21.50 Rg=30.159 SPS=1659
bl=1839 pos[1]=[0.6 -6.6 -25.9] dr=1.91 t=19390.0ps kin=1.49 pot=21.51 Rg=30.121 SPS=1630
bl=1840 pos[1]=[0.1 -6.6 -26.1] dr=1.89 t=19400.0ps kin=1.45 pot=21.52 Rg=30.044 SPS=1575
bl=1841 pos[1]=[-0.3 -6.7 -26.5] dr=1.88 t=19410.0ps kin=1.53 pot=21.51 Rg=30.004 SPS=1612
bl=1842 pos[1]=[-0.4 -6.4 -25.3] dr=1.93 t=19420.0ps kin=1.55 pot=21.53 Rg=30.009 SPS=1585
bl=1843 pos[1]=[0.3 -6.6 -27.3] dr=1.92 t=19430.0ps kin=1.54 pot=21.54 Rg=30.076 SPS=1622
bl=1844 pos[1]=[0.1 -6.3 -28.6] dr=1.89 t=19440.0ps kin=1.50 pot=21.52 Rg=30.065 SPS=1615
bl=1845 pos[1]=[0.2 -5.4 -26.9] dr=1.94 t=19450.0ps kin=1.54 pot=21.51 Rg=30.006 SPS=1662
bl=1846 pos[1]=[0.8 -2.7 -28.4] dr=1.93 t=19460.0ps kin=1.51 pot=21.55 Rg=30.054 SPS=1615
bl=1847 pos[1]=[2.8 -3.1 -26.1] dr=1.98 t=19470.0ps kin=1.50 pot=21.54 Rg=30.002 SPS=1626
bl=1848 pos[1]=[2.4 -1.1 -26.3] dr=1.96 t=19480.0ps kin=1.54 pot=21.52 Rg=30.038 SPS=1585
bl=1849 pos[1]=[3.5 -0.1 -24.5] dr=2.00 t=19490.0ps kin=1.55 pot=21.50 Rg=30.020 SPS=1613
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.65227437 1.81201602 2.54529363] Rg = 30.019648
median bond size is 0.9686054557137747
three shortest/longest (<10)/ bonds are [0.88037427 0.88455308 0.891779 ] [1.09098249 1.10422739 1.11612526]
95 percentile of distance to center is: 47.29916389170384
density of closest 95% monomers is: 0.0029062588598321583
density of the core monomers is: 0.0033344339161241743
min/median/mean/max coordinates are:
x: -17.77, 3.05, 6.65, 46.16
y: -38.50, 9.58, 1.81, 35.64
z: -28.94, 3.05, 2.55, 35.91
Statistics for velocities:
mean kinetic energy is: 1.5514249768442565 should be: 1.5
fastest particles are (in kT): [6.63754521 6.7624976 7.50966937 8.55669329 8.58580767]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.499824276364308
bl=1850 pos[1]=[2.6 -1.2 -27.3] dr=1.91 t=19500.0ps kin=1.52 pot=21.51 Rg=29.958 SPS=1633
bl=1851 pos[1]=[3.2 0.3 -25.6] dr=1.95 t=19510.0ps kin=1.54 pot=21.50 Rg=29.754 SPS=1669
bl=1852 pos[1]=[2.7 -0.0 -26.1] dr=1.84 t=19520.0ps kin=1.50 pot=21.55 Rg=29.565 SPS=1678
bl=1853 pos[1]=[1.3 0.8 -25.3] dr=1.94 t=19530.0ps kin=1.51 pot=21.48 Rg=29.555 SPS=1657
bl=1854 pos[1]=[1.2 -1.2 -25.6] dr=1.95 t=19540.0ps kin=1.53 pot=21.48 Rg=29.609 SPS=1663
bl=1855 pos[1]=[1.9 -1.0 -26.6] dr=1.98 t=19550.0ps kin=1.54 pot=21.51 Rg=29.560 SPS=1631
bl=1856 pos[1]=[2.5 -0.2 -29.2] dr=1.95 t=19560.0ps kin=1.48 pot=21.52 Rg=29.514 SPS=1639
bl=1857 pos[1]=[2.2 1.7 -30.0] dr=1.91 t=19570.0ps kin=1.49 pot=21.51 Rg=29.455 SPS=1615
bl=1858 pos[1]=[6.6 -2.9 -30.7] dr=1.90 t=19580.0ps kin=1.48 pot=21.50 Rg=29.408 SPS=1648
bl=1859 pos[1]=[7.4 -6.7 -29.5] dr=1.95 t=19590.0ps kin=1.57 pot=21.50 Rg=29.502 SPS=1650
bl=1860 pos[1]=[5.3 -6.8 -30.3] dr=1.98 t=19600.0ps kin=1.48 pot=21.50 Rg=29.623 SPS=1649
bl=1861 pos[1]=[4.6 -7.4 -31.7] dr=1.96 t=19610.0ps kin=1.54 pot=21.52 Rg=29.533 SPS=1613
bl=1862 pos[1]=[3.5 -8.1 -30.7] dr=1.91 t=19620.0ps kin=1.47 pot=21.50 Rg=29.394 SPS=1647
bl=1863 pos[1]=[2.0 -8.4 -32.8] dr=1.88 t=19630.0ps kin=1.47 pot=21.45 Rg=29.428 SPS=1618
bl=1864 pos[1]=[2.7 -8.8 -33.0] dr=1.90 t=19640.0ps kin=1.44 pot=21.51 Rg=29.520 SPS=1590
bl=1865 pos[1]=[4.4 -7.3 -33.1] dr=1.88 t=19650.0ps kin=1.53 pot=21.53 Rg=29.496 SPS=1615
bl=1866 pos[1]=[4.9 -9.0 -32.8] dr=1.85 t=19660.0ps kin=1.50 pot=21.48 Rg=29.581 SPS=1652
bl=1867 pos[1]=[5.5 -12.9 -31.7] dr=1.88 t=19670.0ps kin=1.48 pot=21.49 Rg=29.619 SPS=1620
bl=1868 pos[1]=[1.9 -11.3 -27.5] dr=1.94 t=19680.0ps kin=1.48 pot=21.52 Rg=29.559 SPS=1630
bl=1869 pos[1]=[1.4 -8.9 -25.9] dr=1.95 t=19690.0ps kin=1.47 pot=21.53 Rg=29.491 SPS=1612
bl=1870 pos[1]=[3.5 -10.9 -25.0] dr=1.88 t=19700.0ps kin=1.43 pot=21.50 Rg=29.499 SPS=1604
bl=1871 pos[1]=[5.3 -9.8 -25.6] dr=1.95 t=19710.0ps kin=1.53 pot=21.46 Rg=29.590 SPS=1637
bl=1872 pos[1]=[3.8 -10.8 -22.3] dr=1.88 t=19720.0ps kin=1.50 pot=21.50 Rg=29.593 SPS=1594
bl=1873 pos[1]=[3.4 -9.4 -23.2] dr=1.89 t=19730.0ps kin=1.51 pot=21.50 Rg=29.586 SPS=1611
bl=1874 pos[1]=[4.7 -9.2 -23.9] dr=1.87 t=19740.0ps kin=1.50 pot=21.51 Rg=29.481 SPS=1606
bl=1875 pos[1]=[5.4 -8.9 -23.8] dr=1.91 t=19750.0ps kin=1.43 pot=21.51 Rg=29.437 SPS=1637
bl=1876 pos[1]=[5.0 -9.7 -23.6] dr=1.84 t=19760.0ps kin=1.44 pot=21.48 Rg=29.490 SPS=1628
bl=1877 pos[1]=[4.3 -10.2 -24.0] dr=1.92 t=19770.0ps kin=1.49 pot=21.51 Rg=29.499 SPS=1636
bl=1878 pos[1]=[3.9 -8.9 -22.6] dr=1.91 t=19780.0ps kin=1.46 pot=21.53 Rg=29.508 SPS=1631
bl=1879 pos[1]=[3.9 -10.2 -24.3] dr=1.92 t=19790.0ps kin=1.46 pot=21.51 Rg=29.614 SPS=1523
bl=1880 pos[1]=[7.1 -8.6 -24.1] dr=1.93 t=19800.0ps kin=1.58 pot=21.50 Rg=29.673 SPS=1706
bl=1881 pos[1]=[5.9 -7.0 -25.9] dr=1.98 t=19810.0ps kin=1.57 pot=21.50 Rg=29.791 SPS=1725
bl=1882 pos[1]=[7.0 -6.0 -28.2] dr=1.94 t=19820.0ps kin=1.50 pot=21.52 Rg=30.007 SPS=1697
bl=1883 pos[1]=[7.4 -6.8 -28.8] dr=1.89 t=19830.0ps kin=1.48 pot=21.46 Rg=30.139 SPS=1710
bl=1884 pos[1]=[5.6 -8.3 -26.1] dr=1.90 t=19840.0ps kin=1.47 pot=21.46 Rg=30.206 SPS=1729
bl=1885 pos[1]=[5.6 -8.5 -29.0] dr=1.96 t=19850.0ps kin=1.45 pot=21.46 Rg=30.296 SPS=1719
bl=1886 pos[1]=[6.8 -9.3 -25.2] dr=1.92 t=19860.0ps kin=1.49 pot=21.52 Rg=30.376 SPS=1741
bl=1887 pos[1]=[6.9 -9.4 -22.7] dr=1.94 t=19870.0ps kin=1.47 pot=21.46 Rg=30.447 SPS=1711
bl=1888 pos[1]=[6.2 -13.2 -24.5] dr=1.96 t=19880.0ps kin=1.51 pot=21.48 Rg=30.478 SPS=1720
bl=1889 pos[1]=[8.6 -14.3 -25.2] dr=1.88 t=19890.0ps kin=1.46 pot=21.57 Rg=30.491 SPS=1675
bl=1890 pos[1]=[11.8 -14.1 -22.9] dr=1.92 t=19900.0ps kin=1.51 pot=21.45 Rg=30.515 SPS=1678
bl=1891 pos[1]=[12.2 -11.9 -19.9] dr=1.90 t=19910.0ps kin=1.51 pot=21.49 Rg=30.479 SPS=1607
bl=1892 pos[1]=[10.7 -9.3 -19.3] dr=1.95 t=19920.0ps kin=1.53 pot=21.49 Rg=30.460 SPS=1655
bl=1893 pos[1]=[11.6 -9.0 -20.4] dr=1.97 t=19930.0ps kin=1.46 pot=21.48 Rg=30.513 SPS=1692
bl=1894 pos[1]=[9.7 -11.0 -20.5] dr=2.00 t=19940.0ps kin=1.51 pot=21.51 Rg=30.550 SPS=1675
bl=1895 pos[1]=[11.5 -10.9 -22.1] dr=1.94 t=19950.0ps kin=1.53 pot=21.48 Rg=30.500 SPS=1644
bl=1896 pos[1]=[13.2 -8.5 -25.3] dr=1.97 t=19960.0ps kin=1.49 pot=21.45 Rg=30.493 SPS=1672
bl=1897 pos[1]=[13.6 -10.8 -27.1] dr=1.87 t=19970.0ps kin=1.47 pot=21.52 Rg=30.467 SPS=1687
bl=1898 pos[1]=[11.3 -8.6 -26.6] dr=1.90 t=19980.0ps kin=1.50 pot=21.52 Rg=30.464 SPS=1691
bl=1899 pos[1]=[11.5 -8.0 -28.2] dr=1.88 t=19990.0ps kin=1.47 pot=21.42 Rg=30.428 SPS=1685
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.81326483 0.17085416 2.41265589] Rg = 30.428288
median bond size is 0.9687370914794001
three shortest/longest (<10)/ bonds are [0.88998455 0.89148457 0.89619268] [1.07099305 1.07340611 1.08005451]
95 percentile of distance to center is: 42.58849922210524
density of closest 95% monomers is: 0.003981233748220842
density of the core monomers is: 0.003241812288203976
min/median/mean/max coordinates are:
x: -22.01, 3.29, 5.81, 42.40
y: -43.23, 7.11, 0.17, 35.74
z: -31.68, 3.82, 2.41, 34.74
Statistics for velocities:
mean kinetic energy is: 1.4717874300208051 should be: 1.5
fastest particles are (in kT): [6.90473674 7.54438586 7.8903486 9.12756898 9.65734547]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.42300856148599
bl=1900 pos[1]=[13.0 -5.6 -29.3] dr=1.92 t=20000.0ps kin=1.47 pot=21.49 Rg=30.471 SPS=1697
bl=1901 pos[1]=[13.0 -6.4 -30.2] dr=1.93 t=20010.0ps kin=1.53 pot=21.45 Rg=30.492 SPS=1666
bl=1902 pos[1]=[13.1 -5.4 -29.7] dr=1.89 t=20020.0ps kin=1.50 pot=21.49 Rg=30.480 SPS=1681
bl=1903 pos[1]=[12.1 -2.9 -31.3] dr=1.89 t=20030.0ps kin=1.52 pot=21.52 Rg=30.557 SPS=1693
bl=1904 pos[1]=[10.6 -2.8 -30.3] dr=1.92 t=20040.0ps kin=1.46 pot=21.52 Rg=30.552 SPS=1689
bl=1905 pos[1]=[11.4 -2.8 -29.5] dr=1.96 t=20050.0ps kin=1.54 pot=21.51 Rg=30.535 SPS=1675
bl=1906 pos[1]=[11.4 -2.8 -31.3] dr=1.95 t=20060.0ps kin=1.54 pot=21.51 Rg=30.624 SPS=1698
bl=1907 pos[1]=[9.7 -4.3 -29.0] dr=1.94 t=20070.0ps kin=1.49 pot=21.53 Rg=30.703 SPS=1682
bl=1908 pos[1]=[9.5 -5.1 -30.5] dr=1.94 t=20080.0ps kin=1.54 pot=21.51 Rg=30.691 SPS=1687
bl=1909 pos[1]=[6.7 -4.2 -31.0] dr=1.98 t=20090.0ps kin=1.56 pot=21.52 Rg=30.746 SPS=1669
bl=1910 pos[1]=[6.1 -5.9 -32.3] dr=1.94 t=20100.0ps kin=1.47 pot=21.55 Rg=30.768 SPS=1569
bl=1911 pos[1]=[6.8 -9.5 -31.1] dr=1.95 t=20110.0ps kin=1.53 pot=21.47 Rg=30.768 SPS=1692
bl=1912 pos[1]=[6.0 -8.7 -29.9] dr=1.89 t=20120.0ps kin=1.48 pot=21.54 Rg=30.742 SPS=1691
bl=1913 pos[1]=[7.3 -7.6 -30.6] dr=1.91 t=20130.0ps kin=1.52 pot=21.54 Rg=30.764 SPS=1679
bl=1914 pos[1]=[9.9 -7.2 -32.4] dr=1.92 t=20140.0ps kin=1.47 pot=21.53 Rg=30.758 SPS=1670
bl=1915 pos[1]=[9.3 -7.1 -28.9] dr=1.92 t=20150.0ps kin=1.47 pot=21.53 Rg=30.757 SPS=1657
bl=1916 pos[1]=[9.6 -4.7 -27.5] dr=1.93 t=20160.0ps kin=1.49 pot=21.48 Rg=30.761 SPS=1699
bl=1917 pos[1]=[6.0 -4.2 -29.9] dr=2.01 t=20170.0ps kin=1.49 pot=21.48 Rg=30.642 SPS=1687
bl=1918 pos[1]=[4.5 -6.9 -28.9] dr=1.87 t=20180.0ps kin=1.47 pot=21.48 Rg=30.616 SPS=1642
bl=1919 pos[1]=[4.1 -5.0 -30.7] dr=1.87 t=20190.0ps kin=1.50 pot=21.52 Rg=30.653 SPS=1662
bl=1920 pos[1]=[4.7 -2.9 -30.2] dr=1.87 t=20200.0ps kin=1.50 pot=21.52 Rg=30.707 SPS=1671
bl=1921 pos[1]=[6.9 -5.4 -28.1] dr=1.97 t=20210.0ps kin=1.52 pot=21.52 Rg=30.656 SPS=1647
bl=1922 pos[1]=[5.9 -5.8 -26.4] dr=1.93 t=20220.0ps kin=1.46 pot=21.49 Rg=30.546 SPS=1684
bl=1923 pos[1]=[5.1 -5.1 -24.9] dr=1.90 t=20230.0ps kin=1.47 pot=21.48 Rg=30.523 SPS=1698
bl=1924 pos[1]=[5.9 -3.3 -22.2] dr=1.94 t=20240.0ps kin=1.53 pot=21.54 Rg=30.480 SPS=1686
bl=1925 pos[1]=[5.8 -4.8 -22.6] dr=1.98 t=20250.0ps kin=1.47 pot=21.50 Rg=30.511 SPS=1669
bl=1926 pos[1]=[2.1 -2.5 -24.1] dr=1.95 t=20260.0ps kin=1.52 pot=21.48 Rg=30.508 SPS=1687
bl=1927 pos[1]=[0.4 1.2 -23.6] dr=1.94 t=20270.0ps kin=1.48 pot=21.43 Rg=30.474 SPS=1662
bl=1928 pos[1]=[-0.7 2.0 -21.6] dr=1.98 t=20280.0ps kin=1.52 pot=21.50 Rg=30.551 SPS=1677
bl=1929 pos[1]=[-0.9 1.9 -22.3] dr=1.87 t=20290.0ps kin=1.46 pot=21.52 Rg=30.590 SPS=1662
bl=1930 pos[1]=[2.3 1.9 -24.2] dr=1.93 t=20300.0ps kin=1.50 pot=21.48 Rg=30.637 SPS=1677
bl=1931 pos[1]=[6.2 1.0 -23.6] dr=1.95 t=20310.0ps kin=1.51 pot=21.52 Rg=30.600 SPS=1630
bl=1932 pos[1]=[7.4 2.3 -24.8] dr=1.94 t=20320.0ps kin=1.52 pot=21.51 Rg=30.549 SPS=1660
bl=1933 pos[1]=[6.7 3.6 -24.9] dr=1.97 t=20330.0ps kin=1.55 pot=21.54 Rg=30.541 SPS=1653
bl=1934 pos[1]=[6.8 2.6 -21.2] dr=1.96 t=20340.0ps kin=1.56 pot=21.56 Rg=30.528 SPS=1630
bl=1935 pos[1]=[5.9 2.0 -19.1] dr=1.93 t=20350.0ps kin=1.48 pot=21.51 Rg=30.463 SPS=1655
bl=1936 pos[1]=[5.9 -0.7 -19.3] dr=1.91 t=20360.0ps kin=1.51 pot=21.51 Rg=30.422 SPS=1629
bl=1937 pos[1]=[3.5 -0.5 -21.6] dr=1.94 t=20370.0ps kin=1.51 pot=21.54 Rg=30.366 SPS=1659
bl=1938 pos[1]=[5.1 1.1 -24.0] dr=1.95 t=20380.0ps kin=1.51 pot=21.50 Rg=30.378 SPS=1649
bl=1939 pos[1]=[6.5 4.1 -24.8] dr=1.94 t=20390.0ps kin=1.48 pot=21.48 Rg=30.401 SPS=1654
bl=1940 pos[1]=[6.9 5.8 -23.9] dr=1.88 t=20400.0ps kin=1.47 pot=21.50 Rg=30.360 SPS=1626
bl=1941 pos[1]=[7.2 6.8 -26.3] dr=1.90 t=20410.0ps kin=1.48 pot=21.52 Rg=30.306 SPS=1566
bl=1942 pos[1]=[5.0 7.5 -27.6] dr=1.85 t=20420.0ps kin=1.49 pot=21.50 Rg=30.266 SPS=1654
bl=1943 pos[1]=[7.2 7.7 -23.5] dr=1.97 t=20430.0ps kin=1.48 pot=21.51 Rg=30.262 SPS=1590
bl=1944 pos[1]=[5.8 8.8 -24.3] dr=1.98 t=20440.0ps kin=1.46 pot=21.52 Rg=30.155 SPS=1658
bl=1945 pos[1]=[5.0 5.6 -27.4] dr=1.96 t=20450.0ps kin=1.50 pot=21.53 Rg=30.116 SPS=1626
bl=1946 pos[1]=[4.3 4.8 -26.5] dr=1.94 t=20460.0ps kin=1.55 pot=21.53 Rg=30.017 SPS=1667
bl=1947 pos[1]=[4.3 4.8 -25.3] dr=1.97 t=20470.0ps kin=1.54 pot=21.52 Rg=30.182 SPS=1676
bl=1948 pos[1]=[3.9 1.7 -25.0] dr=2.03 t=20480.0ps kin=1.56 pot=21.49 Rg=30.324 SPS=1753
bl=1949 pos[1]=[2.3 1.8 -26.2] dr=1.88 t=20490.0ps kin=1.51 pot=21.52 Rg=30.447 SPS=1644
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.9430632 1.36187766 3.45188047] Rg = 30.447483
median bond size is 0.9668533581737873
three shortest/longest (<10)/ bonds are [0.87774565 0.87821321 0.88763445] [1.09776853 1.1014275 1.11767702]
95 percentile of distance to center is: 42.977036441979344
density of closest 95% monomers is: 0.0038742290352164303
density of the core monomers is: 0.0035150448560141235
min/median/mean/max coordinates are:
x: -23.67, 5.39, 6.94, 44.80
y: -38.90, 7.98, 1.36, 40.26
z: -34.33, 4.86, 3.45, 32.15
Statistics for velocities:
mean kinetic energy is: 1.5144665251511353 should be: 1.5
fastest particles are (in kT): [7.24732289 7.32367997 7.33436964 8.1317786 8.71101473]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.517140256268437
bl=1950 pos[1]=[2.2 0.6 -27.9] dr=1.93 t=20500.0ps kin=1.51 pot=21.49 Rg=30.545 SPS=1625
bl=1951 pos[1]=[2.4 -0.2 -26.4] dr=1.97 t=20510.0ps kin=1.45 pot=21.46 Rg=30.671 SPS=1665
bl=1952 pos[1]=[1.4 -3.0 -26.2] dr=1.95 t=20520.0ps kin=1.48 pot=21.46 Rg=30.804 SPS=1689
bl=1953 pos[1]=[3.0 -3.5 -25.8] dr=1.88 t=20530.0ps kin=1.47 pot=21.48 Rg=30.899 SPS=1679
bl=1954 pos[1]=[3.8 -5.0 -27.0] dr=1.94 t=20540.0ps kin=1.51 pot=21.46 Rg=30.961 SPS=1656
bl=1955 pos[1]=[4.9 -7.3 -27.0] dr=1.92 t=20550.0ps kin=1.46 pot=21.52 Rg=30.966 SPS=1643
bl=1956 pos[1]=[5.5 -8.7 -28.9] dr=1.92 t=20560.0ps kin=1.46 pot=21.51 Rg=30.867 SPS=1664
bl=1957 pos[1]=[2.7 -8.0 -30.2] dr=1.92 t=20570.0ps kin=1.42 pot=21.50 Rg=30.859 SPS=1652
bl=1958 pos[1]=[2.1 -6.3 -30.5] dr=1.88 t=20580.0ps kin=1.54 pot=21.54 Rg=30.727 SPS=1627
bl=1959 pos[1]=[0.9 -6.5 -29.7] dr=1.88 t=20590.0ps kin=1.48 pot=21.54 Rg=30.613 SPS=1651
bl=1960 pos[1]=[-1.6 -4.9 -30.2] dr=1.95 t=20600.0ps kin=1.52 pot=21.52 Rg=30.552 SPS=1680
bl=1961 pos[1]=[-1.2 -4.5 -31.4] dr=1.93 t=20610.0ps kin=1.49 pot=21.53 Rg=30.511 SPS=1655
bl=1962 pos[1]=[1.2 -4.9 -28.5] dr=1.93 t=20620.0ps kin=1.52 pot=21.50 Rg=30.492 SPS=1621
bl=1963 pos[1]=[3.1 -3.6 -28.9] dr=1.96 t=20630.0ps kin=1.46 pot=21.53 Rg=30.561 SPS=1613
bl=1964 pos[1]=[3.5 -5.1 -29.3] dr=1.90 t=20640.0ps kin=1.44 pot=21.53 Rg=30.574 SPS=1656
bl=1965 pos[1]=[4.0 -6.3 -30.9] dr=1.94 t=20650.0ps kin=1.47 pot=21.52 Rg=30.539 SPS=1612
bl=1966 pos[1]=[2.0 -8.1 -32.7] dr=1.92 t=20660.0ps kin=1.48 pot=21.51 Rg=30.541 SPS=1644
bl=1967 pos[1]=[-1.8 -6.1 -31.6] dr=1.97 t=20670.0ps kin=1.50 pot=21.48 Rg=30.397 SPS=1648
bl=1968 pos[1]=[1.3 -5.6 -30.0] dr=1.98 t=20680.0ps kin=1.49 pot=21.52 Rg=30.258 SPS=1646
bl=1969 pos[1]=[0.5 -6.6 -31.7] dr=1.92 t=20690.0ps kin=1.51 pot=21.51 Rg=30.281 SPS=1636
bl=1970 pos[1]=[0.5 -2.9 -31.1] dr=1.94 t=20700.0ps kin=1.52 pot=21.53 Rg=30.313 SPS=1532
bl=1971 pos[1]=[4.5 -2.6 -29.2] dr=1.97 t=20710.0ps kin=1.51 pot=21.49 Rg=30.365 SPS=1687
bl=1972 pos[1]=[3.8 -4.7 -30.4] dr=1.92 t=20720.0ps kin=1.52 pot=21.49 Rg=30.449 SPS=1599
bl=1973 pos[1]=[3.9 -3.3 -30.8] dr=1.97 t=20730.0ps kin=1.56 pot=21.49 Rg=30.280 SPS=1586
bl=1974 pos[1]=[0.5 -3.1 -29.7] dr=2.00 t=20740.0ps kin=1.50 pot=21.51 Rg=30.111 SPS=1635
bl=1975 pos[1]=[-1.4 -2.6 -30.3] dr=1.95 t=20750.0ps kin=1.56 pot=21.54 Rg=30.079 SPS=1626
bl=1976 pos[1]=[0.4 0.5 -29.6] dr=1.92 t=20760.0ps kin=1.49 pot=21.52 Rg=30.069 SPS=1644
bl=1977 pos[1]=[0.4 1.0 -29.3] dr=1.92 t=20770.0ps kin=1.55 pot=21.55 Rg=30.038 SPS=1638
bl=1978 pos[1]=[-0.5 -0.2 -27.3] dr=1.95 t=20780.0ps kin=1.55 pot=21.49 Rg=30.004 SPS=1647
bl=1979 pos[1]=[-0.3 1.0 -30.6] dr=1.92 t=20790.0ps kin=1.46 pot=21.48 Rg=29.963 SPS=1615
bl=1980 pos[1]=[0.4 -0.8 -34.7] dr=1.86 t=20800.0ps kin=1.52 pot=21.51 Rg=29.896 SPS=1667
bl=1981 pos[1]=[0.0 0.3 -35.9] dr=1.92 t=20810.0ps kin=1.50 pot=21.56 Rg=29.861 SPS=1612
bl=1982 pos[1]=[1.4 -1.6 -34.5] dr=2.00 t=20820.0ps kin=1.51 pot=21.57 Rg=29.782 SPS=1633
bl=1983 pos[1]=[-0.3 1.1 -33.5] dr=1.97 t=20830.0ps kin=1.53 pot=21.55 Rg=29.662 SPS=1632
bl=1984 pos[1]=[-1.9 0.8 -31.5] dr=1.98 t=20840.0ps kin=1.49 pot=21.51 Rg=29.559 SPS=1655
bl=1985 pos[1]=[-2.0 0.1 -30.9] dr=1.95 t=20850.0ps kin=1.51 pot=21.49 Rg=29.524 SPS=1624
bl=1986 pos[1]=[-2.1 1.3 -34.8] dr=1.88 t=20860.0ps kin=1.46 pot=21.50 Rg=29.463 SPS=1621
bl=1987 pos[1]=[1.9 -0.1 -35.8] dr=1.89 t=20870.0ps kin=1.44 pot=21.51 Rg=29.404 SPS=1653
bl=1988 pos[1]=[3.4 -1.1 -38.7] dr=1.94 t=20880.0ps kin=1.52 pot=21.54 Rg=29.404 SPS=1610
bl=1989 pos[1]=[3.8 -0.6 -39.4] dr=1.95 t=20890.0ps kin=1.53 pot=21.50 Rg=29.314 SPS=1624
bl=1990 pos[1]=[1.9 -0.6 -40.9] dr=1.97 t=20900.0ps kin=1.50 pot=21.53 Rg=29.224 SPS=1594
bl=1991 pos[1]=[0.4 -0.4 -39.8] dr=1.86 t=20910.0ps kin=1.54 pot=21.51 Rg=29.212 SPS=1623
bl=1992 pos[1]=[0.8 1.6 -39.6] dr=1.98 t=20920.0ps kin=1.49 pot=21.56 Rg=29.318 SPS=1634
bl=1993 pos[1]=[0.7 2.0 -39.4] dr=1.94 t=20930.0ps kin=1.54 pot=21.49 Rg=29.375 SPS=1628
bl=1994 pos[1]=[1.1 -0.2 -39.0] dr=1.95 t=20940.0ps kin=1.51 pot=21.52 Rg=29.385 SPS=1643
bl=1995 pos[1]=[2.2 1.9 -39.2] dr=1.90 t=20950.0ps kin=1.48 pot=21.54 Rg=29.343 SPS=1706
bl=1996 pos[1]=[3.6 -0.2 -41.9] dr=1.92 t=20960.0ps kin=1.50 pot=21.52 Rg=29.288 SPS=1648
bl=1997 pos[1]=[5.7 -1.5 -44.3] dr=1.90 t=20970.0ps kin=1.47 pot=21.47 Rg=29.342 SPS=1633
bl=1998 pos[1]=[7.7 -1.7 -44.0] dr=1.92 t=20980.0ps kin=1.49 pot=21.48 Rg=29.323 SPS=1654
bl=1999 pos[1]=[7.0 0.7 -44.2] dr=1.92 t=20990.0ps kin=1.46 pot=21.54 Rg=29.362 SPS=1647
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.57204246 1.09270023 3.15046771] Rg = 29.361685
median bond size is 0.9665071166671189
three shortest/longest (<10)/ bonds are [0.87859599 0.88027001 0.88585591] [1.08710099 1.08764493 1.10173363]
95 percentile of distance to center is: 44.370563387678615
density of closest 95% monomers is: 0.0035205446451971236
density of the core monomers is: 0.0033393441379820587
min/median/mean/max coordinates are:
x: -23.89, 2.90, 6.57, 42.44
y: -39.56, 8.18, 1.09, 33.56
z: -44.46, 5.32, 3.15, 26.57
Statistics for velocities:
mean kinetic energy is: 1.4608995832197411 should be: 1.5
fastest particles are (in kT): [6.75000509 7.09404194 7.32390912 7.48264365 7.55594927]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.536304215062685
bl=2000 pos[1]=[5.6 -1.6 -44.0] dr=1.92 t=21000.0ps kin=1.46 pot=21.54 Rg=29.430 SPS=1601
bl=2001 pos[1]=[3.4 -1.3 -45.5] dr=1.88 t=21010.0ps kin=1.51 pot=21.52 Rg=29.524 SPS=1620
bl=2002 pos[1]=[1.2 -4.4 -47.3] dr=1.92 t=21020.0ps kin=1.51 pot=21.49 Rg=29.657 SPS=1494
bl=2003 pos[1]=[3.3 -5.5 -46.6] dr=1.91 t=21030.0ps kin=1.48 pot=21.51 Rg=29.656 SPS=1618
bl=2004 pos[1]=[4.4 -5.9 -46.8] dr=1.90 t=21040.0ps kin=1.49 pot=21.54 Rg=29.752 SPS=1617
bl=2005 pos[1]=[2.3 -5.7 -48.3] dr=1.91 t=21050.0ps kin=1.56 pot=21.52 Rg=29.843 SPS=1663
bl=2006 pos[1]=[3.3 -0.4 -46.6] dr=1.98 t=21060.0ps kin=1.53 pot=21.55 Rg=29.768 SPS=1647
bl=2007 pos[1]=[-0.0 -0.9 -45.1] dr=1.86 t=21070.0ps kin=1.54 pot=21.56 Rg=29.720 SPS=1660
bl=2008 pos[1]=[2.4 -3.6 -44.2] dr=1.90 t=21080.0ps kin=1.56 pot=21.54 Rg=29.703 SPS=1609
bl=2009 pos[1]=[2.8 -3.9 -46.7] dr=1.98 t=21090.0ps kin=1.47 pot=21.49 Rg=29.687 SPS=1609
bl=2010 pos[1]=[2.3 -3.5 -47.1] dr=1.90 t=21100.0ps kin=1.42 pot=21.48 Rg=29.698 SPS=1638
bl=2011 pos[1]=[1.5 -5.5 -46.2] dr=1.88 t=21110.0ps kin=1.46 pot=21.48 Rg=29.638 SPS=1622
bl=2012 pos[1]=[0.6 -2.8 -45.9] dr=1.92 t=21120.0ps kin=1.52 pot=21.47 Rg=29.673 SPS=1648
bl=2013 pos[1]=[1.2 -5.5 -47.5] dr=1.90 t=21130.0ps kin=1.52 pot=21.53 Rg=29.643 SPS=1620
bl=2014 pos[1]=[2.5 -5.7 -44.4] dr=1.90 t=21140.0ps kin=1.52 pot=21.51 Rg=29.525 SPS=1656
bl=2015 pos[1]=[1.7 -5.1 -41.6] dr=1.95 t=21150.0ps kin=1.53 pot=21.50 Rg=29.447 SPS=1617
bl=2016 pos[1]=[0.9 -6.5 -41.1] dr=1.91 t=21160.0ps kin=1.44 pot=21.49 Rg=29.349 SPS=1635
bl=2017 pos[1]=[2.9 -6.9 -42.6] dr=1.89 t=21170.0ps kin=1.47 pot=21.55 Rg=29.220 SPS=1639
bl=2018 pos[1]=[4.0 -4.1 -42.3] dr=1.88 t=21180.0ps kin=1.46 pot=21.52 Rg=29.193 SPS=1650
bl=2019 pos[1]=[5.2 -3.8 -40.5] dr=1.87 t=21190.0ps kin=1.51 pot=21.49 Rg=29.274 SPS=1662
bl=2020 pos[1]=[6.5 -0.7 -40.6] dr=1.91 t=21200.0ps kin=1.51 pot=21.56 Rg=29.320 SPS=1631
bl=2021 pos[1]=[5.0 2.9 -42.5] dr=2.02 t=21210.0ps kin=1.51 pot=21.52 Rg=29.326 SPS=1625
bl=2022 pos[1]=[6.1 1.0 -41.5] dr=2.00 t=21220.0ps kin=1.51 pot=21.48 Rg=29.423 SPS=1630
bl=2023 pos[1]=[5.7 -1.5 -41.1] dr=1.92 t=21230.0ps kin=1.46 pot=21.49 Rg=29.397 SPS=1625
bl=2024 pos[1]=[6.3 -1.8 -43.8] dr=1.88 t=21240.0ps kin=1.45 pot=21.49 Rg=29.427 SPS=1652
bl=2025 pos[1]=[7.7 -2.6 -45.3] dr=1.95 t=21250.0ps kin=1.44 pot=21.48 Rg=29.392 SPS=1673
bl=2026 pos[1]=[6.6 0.3 -42.9] dr=1.95 t=21260.0ps kin=1.52 pot=21.44 Rg=29.414 SPS=1622
bl=2027 pos[1]=[2.1 1.6 -44.3] dr=2.01 t=21270.0ps kin=1.50 pot=21.48 Rg=29.366 SPS=1665
bl=2028 pos[1]=[2.8 0.1 -43.5] dr=1.94 t=21280.0ps kin=1.45 pot=21.49 Rg=29.346 SPS=1650
bl=2029 pos[1]=[6.3 0.8 -43.3] dr=2.04 t=21290.0ps kin=1.54 pot=21.52 Rg=29.349 SPS=1639
bl=2030 pos[1]=[6.6 -0.2 -42.4] dr=1.98 t=21300.0ps kin=1.53 pot=21.55 Rg=29.320 SPS=1612
bl=2031 pos[1]=[4.8 -1.0 -43.2] dr=1.96 t=21310.0ps kin=1.52 pot=21.51 Rg=29.308 SPS=1618
bl=2032 pos[1]=[1.9 -4.2 -43.2] dr=1.87 t=21320.0ps kin=1.47 pot=21.53 Rg=29.352 SPS=1646
bl=2033 pos[1]=[3.4 -8.0 -42.0] dr=1.88 t=21330.0ps kin=1.53 pot=21.58 Rg=29.376 SPS=1664
bl=2034 pos[1]=[3.6 -7.5 -40.6] dr=1.92 t=21340.0ps kin=1.51 pot=21.53 Rg=29.357 SPS=1598
bl=2035 pos[1]=[3.7 -9.8 -42.9] dr=1.91 t=21350.0ps kin=1.52 pot=21.55 Rg=29.321 SPS=1629
bl=2036 pos[1]=[5.5 -9.2 -43.9] dr=1.86 t=21360.0ps kin=1.51 pot=21.55 Rg=29.345 SPS=1653
bl=2037 pos[1]=[5.8 -6.0 -45.0] dr=1.95 t=21370.0ps kin=1.49 pot=21.56 Rg=29.355 SPS=1625
bl=2038 pos[1]=[5.9 -9.3 -46.7] dr=1.96 t=21380.0ps kin=1.52 pot=21.50 Rg=29.384 SPS=1614
bl=2039 pos[1]=[4.9 -9.8 -44.9] dr=1.86 t=21390.0ps kin=1.46 pot=21.53 Rg=29.435 SPS=1596
bl=2040 pos[1]=[5.4 -7.5 -45.8] dr=1.95 t=21400.0ps kin=1.51 pot=21.49 Rg=29.487 SPS=1635
bl=2041 pos[1]=[6.0 -6.9 -44.4] dr=1.87 t=21410.0ps kin=1.52 pot=21.51 Rg=29.500 SPS=1613
bl=2042 pos[1]=[7.3 -5.7 -44.9] dr=1.93 t=21420.0ps kin=1.54 pot=21.49 Rg=29.490 SPS=1619
bl=2043 pos[1]=[12.1 -5.9 -43.9] dr=1.91 t=21430.0ps kin=1.47 pot=21.51 Rg=29.576 SPS=1676
bl=2044 pos[1]=[12.9 -7.4 -40.5] dr=1.89 t=21440.0ps kin=1.50 pot=21.53 Rg=29.687 SPS=1605
bl=2045 pos[1]=[12.3 -8.9 -36.4] dr=1.91 t=21450.0ps kin=1.51 pot=21.52 Rg=29.722 SPS=1649
bl=2046 pos[1]=[11.7 -7.7 -34.4] dr=1.93 t=21460.0ps kin=1.46 pot=21.49 Rg=29.709 SPS=1647
bl=2047 pos[1]=[10.4 -7.1 -35.6] dr=1.90 t=21470.0ps kin=1.46 pot=21.52 Rg=29.591 SPS=1682
bl=2048 pos[1]=[10.9 -8.6 -31.5] dr=1.92 t=21480.0ps kin=1.47 pot=21.54 Rg=29.632 SPS=1656
bl=2049 pos[1]=[11.4 -6.8 -33.0] dr=1.89 t=21490.0ps kin=1.47 pot=21.54 Rg=29.636 SPS=1659
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [6.76111232 1.84327965 3.41401029] Rg = 29.63601
median bond size is 0.9706801251243913
three shortest/longest (<10)/ bonds are [0.88282826 0.88897222 0.8894813 ] [1.08990867 1.10780642 1.11176329]
95 percentile of distance to center is: 42.359740703350916
density of closest 95% monomers is: 0.004046083177269216
density of the core monomers is: 0.004068640246555001
min/median/mean/max coordinates are:
x: -25.86, 7.47, 6.76, 43.24
y: -36.39, 8.79, 1.84, 36.07
z: -36.35, 5.53, 3.41, 28.34
Statistics for velocities:
mean kinetic energy is: 1.474865471555133 should be: 1.5
fastest particles are (in kT): [7.0446965 7.33117405 7.496415 7.51825804 8.65110071]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.54154855733776
bl=2050 pos[1]=[11.9 -10.5 -33.9] dr=1.88 t=21500.0ps kin=1.48 pot=21.51 Rg=29.712 SPS=1646
bl=2051 pos[1]=[13.2 -10.8 -34.8] dr=1.90 t=21510.0ps kin=1.45 pot=21.51 Rg=29.642 SPS=1627
bl=2052 pos[1]=[12.5 -10.8 -35.0] dr=1.92 t=21520.0ps kin=1.52 pot=21.51 Rg=29.485 SPS=1606
bl=2053 pos[1]=[13.9 -10.2 -32.7] dr=1.92 t=21530.0ps kin=1.50 pot=21.49 Rg=29.420 SPS=1618
bl=2054 pos[1]=[12.4 -8.1 -34.4] dr=1.92 t=21540.0ps kin=1.49 pot=21.46 Rg=29.308 SPS=1681
bl=2055 pos[1]=[11.8 -10.8 -33.5] dr=1.93 t=21550.0ps kin=1.48 pot=21.50 Rg=29.166 SPS=1679
bl=2056 pos[1]=[10.1 -10.5 -36.1] dr=1.90 t=21560.0ps kin=1.51 pot=21.50 Rg=29.031 SPS=1678
bl=2057 pos[1]=[11.1 -8.3 -36.2] dr=1.97 t=21570.0ps kin=1.52 pot=21.52 Rg=28.998 SPS=1722
bl=2058 pos[1]=[11.0 -6.5 -37.6] dr=1.95 t=21580.0ps kin=1.50 pot=21.54 Rg=29.022 SPS=1644
bl=2059 pos[1]=[12.1 -5.9 -40.9] dr=1.98 t=21590.0ps kin=1.54 pot=21.54 Rg=29.014 SPS=1666
bl=2060 pos[1]=[11.2 -7.0 -43.7] dr=1.98 t=21600.0ps kin=1.52 pot=21.54 Rg=28.954 SPS=1619
bl=2061 pos[1]=[14.4 -6.4 -42.1] dr=1.91 t=21610.0ps kin=1.52 pot=21.51 Rg=28.898 SPS=1639
bl=2062 pos[1]=[13.0 -7.5 -39.8] dr=1.93 t=21620.0ps kin=1.51 pot=21.54 Rg=28.897 SPS=1649
bl=2063 pos[1]=[13.7 -6.7 -40.2] dr=1.93 t=21630.0ps kin=1.51 pot=21.46 Rg=28.897 SPS=1666
bl=2064 pos[1]=[12.0 -9.4 -42.2] dr=1.97 t=21640.0ps kin=1.51 pot=21.52 Rg=29.032 SPS=1689
bl=2065 pos[1]=[9.3 -8.4 -43.7] dr=1.92 t=21650.0ps kin=1.54 pot=21.48 Rg=29.107 SPS=1686
bl=2066 pos[1]=[7.9 -7.5 -44.8] dr=1.94 t=21660.0ps kin=1.48 pot=21.55 Rg=29.069 SPS=1584
bl=2067 pos[1]=[8.0 -8.0 -44.2] dr=1.88 t=21670.0ps kin=1.51 pot=21.51 Rg=29.160 SPS=1671
bl=2068 pos[1]=[10.4 -6.3 -43.7] dr=1.88 t=21680.0ps kin=1.43 pot=21.49 Rg=29.274 SPS=1651
bl=2069 pos[1]=[9.0 -6.4 -43.9] dr=1.94 t=21690.0ps kin=1.50 pot=21.52 Rg=29.333 SPS=1672
bl=2070 pos[1]=[8.7 -6.4 -41.6] dr=1.90 t=21700.0ps kin=1.51 pot=21.53 Rg=29.350 SPS=1642
bl=2071 pos[1]=[11.1 -8.4 -41.6] dr=1.93 t=21710.0ps kin=1.52 pot=21.53 Rg=29.328 SPS=1611
bl=2072 pos[1]=[11.8 -9.0 -41.2] dr=1.96 t=21720.0ps kin=1.51 pot=21.51 Rg=29.462 SPS=1666
bl=2073 pos[1]=[10.6 -10.1 -42.0] dr=1.90 t=21730.0ps kin=1.47 pot=21.48 Rg=29.556 SPS=1639
bl=2074 pos[1]=[11.3 -8.7 -42.5] dr=1.92 t=21740.0ps kin=1.45 pot=21.52 Rg=29.643 SPS=1617
bl=2075 pos[1]=[11.5 -3.8 -43.1] dr=1.91 t=21750.0ps kin=1.45 pot=21.53 Rg=29.668 SPS=1633
bl=2076 pos[1]=[12.4 -1.8 -40.2] dr=1.85 t=21760.0ps kin=1.42 pot=21.47 Rg=29.706 SPS=1632
bl=2077 pos[1]=[11.5 -2.8 -40.9] dr=1.90 t=21770.0ps kin=1.46 pot=21.51 Rg=29.749 SPS=1656
bl=2078 pos[1]=[9.2 -4.2 -43.6] dr=1.87 t=21780.0ps kin=1.52 pot=21.47 Rg=29.800 SPS=1635
bl=2079 pos[1]=[8.7 -3.8 -44.4] dr=1.93 t=21790.0ps kin=1.48 pot=21.51 Rg=29.781 SPS=1656
bl=2080 pos[1]=[8.9 -4.6 -45.0] dr=1.90 t=21800.0ps kin=1.56 pot=21.50 Rg=29.763 SPS=1648
bl=2081 pos[1]=[10.9 -5.7 -43.2] dr=1.92 t=21810.0ps kin=1.49 pot=21.49 Rg=29.725 SPS=1662
bl=2082 pos[1]=[8.4 -6.3 -43.5] dr=1.89 t=21820.0ps kin=1.49 pot=21.51 Rg=29.770 SPS=1674
bl=2083 pos[1]=[7.3 -6.1 -45.5] dr=1.95 t=21830.0ps kin=1.53 pot=21.51 Rg=29.743 SPS=1682
bl=2084 pos[1]=[6.5 -6.3 -47.2] dr=1.94 t=21840.0ps kin=1.49 pot=21.50 Rg=29.721 SPS=1681
bl=2085 pos[1]=[5.4 -6.4 -46.7] dr=1.91 t=21850.0ps kin=1.46 pot=21.57 Rg=29.683 SPS=1667
bl=2086 pos[1]=[5.2 -6.4 -47.7] dr=1.88 t=21860.0ps kin=1.56 pot=21.50 Rg=29.674 SPS=1609
bl=2087 pos[1]=[6.4 -5.7 -48.1] dr=1.89 t=21870.0ps kin=1.52 pot=21.49 Rg=29.680 SPS=1648
bl=2088 pos[1]=[10.1 -4.5 -46.7] dr=1.91 t=21880.0ps kin=1.48 pot=21.49 Rg=29.686 SPS=1652
bl=2089 pos[1]=[9.3 -5.6 -44.5] dr=1.88 t=21890.0ps kin=1.46 pot=21.56 Rg=29.692 SPS=1617
bl=2090 pos[1]=[9.6 -7.2 -42.6] dr=1.95 t=21900.0ps kin=1.54 pot=21.52 Rg=29.766 SPS=1707
bl=2091 pos[1]=[9.1 -4.8 -41.1] dr=1.91 t=21910.0ps kin=1.48 pot=21.56 Rg=29.865 SPS=1687
bl=2092 pos[1]=[7.8 -6.7 -41.4] dr=1.88 t=21920.0ps kin=1.53 pot=21.51 Rg=29.898 SPS=1679
bl=2093 pos[1]=[8.3 -8.5 -41.5] dr=2.01 t=21930.0ps kin=1.52 pot=21.53 Rg=29.994 SPS=1654
bl=2094 pos[1]=[11.0 -8.4 -43.0] dr=1.97 t=21940.0ps kin=1.46 pot=21.53 Rg=29.945 SPS=1688
bl=2095 pos[1]=[8.4 -8.3 -45.8] dr=1.96 t=21950.0ps kin=1.47 pot=21.49 Rg=29.897 SPS=1653
bl=2096 pos[1]=[8.7 -9.3 -47.1] dr=1.90 t=21960.0ps kin=1.47 pot=21.49 Rg=29.847 SPS=1655
bl=2097 pos[1]=[7.9 -8.8 -44.3] dr=1.92 t=21970.0ps kin=1.57 pot=21.46 Rg=29.852 SPS=1558
bl=2098 pos[1]=[8.8 -7.7 -45.0] dr=2.00 t=21980.0ps kin=1.50 pot=21.55 Rg=29.773 SPS=1663
bl=2099 pos[1]=[8.2 -10.0 -45.0] dr=2.01 t=21990.0ps kin=1.52 pot=21.49 Rg=29.620 SPS=1643
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.49840192 2.40632875 2.27772096] Rg = 29.619623
median bond size is 0.9692412911447638
three shortest/longest (<10)/ bonds are [0.87567948 0.88235356 0.88250113] [1.09130884 1.0920137 1.11081212]
95 percentile of distance to center is: 42.87838141807344
density of closest 95% monomers is: 0.0039010322085790607
density of the core monomers is: 0.007224489654914715
min/median/mean/max coordinates are:
x: -26.07, 4.08, 5.50, 40.56
y: -38.67, 7.46, 2.41, 36.20
z: -45.08, 3.16, 2.28, 34.62
Statistics for velocities:
mean kinetic energy is: 1.5163937968529317 should be: 1.5
fastest particles are (in kT): [6.36674931 6.92282487 7.68303544 7.86175951 7.96659544]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.494159349649706
bl=2100 pos[1]=[9.6 -5.4 -45.1] dr=1.93 t=22000.0ps kin=1.55 pot=21.46 Rg=29.576 SPS=1668
bl=2101 pos[1]=[8.1 -8.7 -46.2] dr=2.01 t=22010.0ps kin=1.50 pot=21.52 Rg=29.545 SPS=1684
bl=2102 pos[1]=[8.5 -10.6 -46.4] dr=1.85 t=22020.0ps kin=1.41 pot=21.55 Rg=29.517 SPS=1671
bl=2103 pos[1]=[8.4 -11.0 -46.1] dr=1.91 t=22030.0ps kin=1.49 pot=21.53 Rg=29.439 SPS=1644
bl=2104 pos[1]=[7.4 -11.0 -46.4] dr=1.87 t=22040.0ps kin=1.51 pot=21.52 Rg=29.417 SPS=1657
bl=2105 pos[1]=[7.0 -8.5 -45.0] dr=1.86 t=22050.0ps kin=1.51 pot=21.51 Rg=29.499 SPS=1658
bl=2106 pos[1]=[6.5 -9.6 -45.6] dr=1.98 t=22060.0ps kin=1.54 pot=21.50 Rg=29.355 SPS=1632
bl=2107 pos[1]=[5.0 -9.0 -44.8] dr=1.98 t=22070.0ps kin=1.52 pot=21.55 Rg=29.253 SPS=1670
bl=2108 pos[1]=[6.4 -10.2 -41.6] dr=1.92 t=22080.0ps kin=1.46 pot=21.51 Rg=29.266 SPS=1672
bl=2109 pos[1]=[7.4 -11.5 -41.8] dr=1.86 t=22090.0ps kin=1.48 pot=21.53 Rg=29.083 SPS=1663
bl=2110 pos[1]=[9.3 -10.9 -43.2] dr=1.87 t=22100.0ps kin=1.45 pot=21.50 Rg=28.947 SPS=1661
bl=2111 pos[1]=[10.3 -7.5 -45.6] dr=1.91 t=22110.0ps kin=1.55 pot=21.55 Rg=28.826 SPS=1663
bl=2112 pos[1]=[9.0 -7.8 -43.9] dr=1.93 t=22120.0ps kin=1.57 pot=21.52 Rg=28.810 SPS=1620
bl=2113 pos[1]=[8.9 -6.6 -43.8] dr=1.89 t=22130.0ps kin=1.48 pot=21.48 Rg=28.846 SPS=1662
bl=2114 pos[1]=[10.3 -7.8 -41.9] dr=1.81 t=22140.0ps kin=1.55 pot=21.55 Rg=28.885 SPS=1658
bl=2115 pos[1]=[7.9 -7.0 -42.9] dr=1.91 t=22150.0ps kin=1.52 pot=21.51 Rg=28.881 SPS=1660
bl=2116 pos[1]=[5.2 -9.3 -40.0] dr=1.95 t=22160.0ps kin=1.45 pot=21.53 Rg=28.946 SPS=1626
bl=2117 pos[1]=[7.1 -9.8 -39.6] dr=1.92 t=22170.0ps kin=1.50 pot=21.51 Rg=28.964 SPS=1659
bl=2118 pos[1]=[9.1 -8.9 -37.2] dr=1.91 t=22180.0ps kin=1.49 pot=21.57 Rg=28.947 SPS=1607
bl=2119 pos[1]=[8.3 -8.5 -34.7] dr=1.90 t=22190.0ps kin=1.56 pot=21.49 Rg=28.992 SPS=1621
bl=2120 pos[1]=[9.0 -8.4 -36.3] dr=1.90 t=22200.0ps kin=1.49 pot=21.52 Rg=28.968 SPS=1623
bl=2121 pos[1]=[8.2 -10.2 -38.8] dr=1.86 t=22210.0ps kin=1.50 pot=21.53 Rg=28.903 SPS=1635
bl=2122 pos[1]=[8.9 -8.9 -38.2] dr=1.91 t=22220.0ps kin=1.49 pot=21.49 Rg=28.913 SPS=1625
bl=2123 pos[1]=[5.0 -8.0 -34.8] dr=1.98 t=22230.0ps kin=1.51 pot=21.51 Rg=28.909 SPS=1612
bl=2124 pos[1]=[3.8 -10.8 -34.7] dr=1.92 t=22240.0ps kin=1.54 pot=21.54 Rg=28.979 SPS=1607
bl=2125 pos[1]=[3.6 -12.0 -36.8] dr=1.91 t=22250.0ps kin=1.51 pot=21.50 Rg=28.994 SPS=1526
bl=2126 pos[1]=[2.4 -10.6 -38.7] dr=1.94 t=22260.0ps kin=1.48 pot=21.49 Rg=28.965 SPS=1655
bl=2127 pos[1]=[1.3 -10.1 -38.2] dr=1.97 t=22270.0ps kin=1.47 pot=21.51 Rg=29.057 SPS=1689
bl=2128 pos[1]=[0.3 -9.1 -38.4] dr=1.97 t=22280.0ps kin=1.46 pot=21.54 Rg=29.127 SPS=1635
bl=2129 pos[1]=[1.6 -10.6 -36.6] dr=1.98 t=22290.0ps kin=1.50 pot=21.50 Rg=29.086 SPS=1692
bl=2130 pos[1]=[-1.2 -11.7 -37.1] dr=1.93 t=22300.0ps kin=1.50 pot=21.50 Rg=29.104 SPS=1622
bl=2131 pos[1]=[-0.5 -11.1 -38.1] dr=1.94 t=22310.0ps kin=1.50 pot=21.56 Rg=29.188 SPS=1657
bl=2132 pos[1]=[0.8 -10.8 -39.2] dr=1.98 t=22320.0ps kin=1.53 pot=21.47 Rg=29.169 SPS=1636
bl=2133 pos[1]=[3.5 -8.7 -39.1] dr=1.90 t=22330.0ps kin=1.50 pot=21.51 Rg=29.168 SPS=1604
bl=2134 pos[1]=[3.3 -6.9 -38.3] dr=1.90 t=22340.0ps kin=1.52 pot=21.55 Rg=29.235 SPS=1607
bl=2135 pos[1]=[3.2 -9.3 -42.0] dr=1.91 t=22350.0ps kin=1.55 pot=21.51 Rg=29.354 SPS=1653
bl=2136 pos[1]=[2.6 -10.5 -37.9] dr=1.91 t=22360.0ps kin=1.55 pot=21.49 Rg=29.328 SPS=1608
bl=2137 pos[1]=[3.0 -10.8 -37.4] dr=1.91 t=22370.0ps kin=1.49 pot=21.47 Rg=29.290 SPS=1603
bl=2138 pos[1]=[1.0 -13.1 -38.9] dr=1.97 t=22380.0ps kin=1.52 pot=21.50 Rg=29.310 SPS=1709
bl=2139 pos[1]=[-1.2 -11.5 -38.4] dr=1.95 t=22390.0ps kin=1.51 pot=21.50 Rg=29.333 SPS=1667
bl=2140 pos[1]=[-2.2 -8.6 -40.9] dr=1.89 t=22400.0ps kin=1.50 pot=21.55 Rg=29.404 SPS=1672
bl=2141 pos[1]=[-1.3 -8.7 -43.1] dr=1.94 t=22410.0ps kin=1.49 pot=21.51 Rg=29.473 SPS=1680
bl=2142 pos[1]=[-2.4 -7.4 -45.0] dr=1.97 t=22420.0ps kin=1.51 pot=21.56 Rg=29.600 SPS=1679
bl=2143 pos[1]=[-4.2 -8.6 -44.2] dr=1.96 t=22430.0ps kin=1.50 pot=21.51 Rg=29.580 SPS=1635
bl=2144 pos[1]=[-6.3 -12.9 -44.2] dr=1.89 t=22440.0ps kin=1.52 pot=21.52 Rg=29.526 SPS=1650
bl=2145 pos[1]=[-5.2 -15.3 -40.5] dr=1.91 t=22450.0ps kin=1.48 pot=21.52 Rg=29.538 SPS=1648
bl=2146 pos[1]=[-3.3 -14.9 -39.7] dr=1.97 t=22460.0ps kin=1.52 pot=21.47 Rg=29.486 SPS=1667
bl=2147 pos[1]=[-2.2 -12.1 -40.1] dr=1.93 t=22470.0ps kin=1.42 pot=21.53 Rg=29.471 SPS=1649
bl=2148 pos[1]=[-1.3 -11.3 -38.2] dr=1.84 t=22480.0ps kin=1.47 pot=21.46 Rg=29.478 SPS=1686
bl=2149 pos[1]=[0.6 -10.8 -39.4] dr=1.92 t=22490.0ps kin=1.50 pot=21.50 Rg=29.385 SPS=1609
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [4.05882531 3.68625138 3.12713026] Rg = 29.384838
median bond size is 0.9682539495070904
three shortest/longest (<10)/ bonds are [0.88356182 0.88487072 0.88610864] [1.08116678 1.08822144 1.08920171]
95 percentile of distance to center is: 41.80657341081899
density of closest 95% monomers is: 0.0042088259513833205
density of the core monomers is: 0.004656258246902463
min/median/mean/max coordinates are:
x: -27.24, 2.18, 4.06, 40.00
y: -37.69, 7.51, 3.69, 34.45
z: -41.58, 3.78, 3.13, 31.85
Statistics for velocities:
mean kinetic energy is: 1.5101784356333061 should be: 1.5
fastest particles are (in kT): [7.20093539 7.38883656 7.48461746 7.7016323 8.60648921]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.500698573469762
bl=2150 pos[1]=[1.0 -10.1 -37.1] dr=1.90 t=22500.0ps kin=1.51 pot=21.53 Rg=29.406 SPS=1620
bl=2151 pos[1]=[-0.4 -9.4 -36.4] dr=1.93 t=22510.0ps kin=1.50 pot=21.61 Rg=29.508 SPS=1630
bl=2152 pos[1]=[-0.4 -8.0 -37.9] dr=1.98 t=22520.0ps kin=1.45 pot=21.53 Rg=29.580 SPS=1652
bl=2153 pos[1]=[-1.7 -6.8 -40.2] dr=1.92 t=22530.0ps kin=1.49 pot=21.47 Rg=29.545 SPS=1638
bl=2154 pos[1]=[-2.0 -9.8 -40.7] dr=1.94 t=22540.0ps kin=1.50 pot=21.49 Rg=29.440 SPS=1636
bl=2155 pos[1]=[-3.6 -9.7 -40.0] dr=1.97 t=22550.0ps kin=1.41 pot=21.48 Rg=29.432 SPS=1489
bl=2156 pos[1]=[-4.2 -6.0 -36.5] dr=1.92 t=22560.0ps kin=1.45 pot=21.54 Rg=29.534 SPS=1646
bl=2157 pos[1]=[-4.6 -6.0 -35.3] dr=1.90 t=22570.0ps kin=1.48 pot=21.46 Rg=29.585 SPS=1616
bl=2158 pos[1]=[-3.6 -6.4 -38.1] dr=1.96 t=22580.0ps kin=1.52 pot=21.51 Rg=29.571 SPS=1643
bl=2159 pos[1]=[-2.7 -4.0 -37.4] dr=1.91 t=22590.0ps kin=1.49 pot=21.47 Rg=29.558 SPS=1625
bl=2160 pos[1]=[-4.3 -4.1 -38.6] dr=1.91 t=22600.0ps kin=1.50 pot=21.50 Rg=29.539 SPS=1610
bl=2161 pos[1]=[-2.6 -2.7 -41.8] dr=1.93 t=22610.0ps kin=1.49 pot=21.54 Rg=29.457 SPS=1609
bl=2162 pos[1]=[-4.5 -3.0 -41.5] dr=1.91 t=22620.0ps kin=1.55 pot=21.55 Rg=29.462 SPS=1603
bl=2163 pos[1]=[-2.4 -1.4 -41.6] dr=1.89 t=22630.0ps kin=1.47 pot=21.51 Rg=29.452 SPS=1615
bl=2164 pos[1]=[-0.3 -3.0 -43.0] dr=1.88 t=22640.0ps kin=1.49 pot=21.50 Rg=29.429 SPS=1649
bl=2165 pos[1]=[-1.9 -0.3 -42.3] dr=1.85 t=22650.0ps kin=1.50 pot=21.52 Rg=29.421 SPS=1632
bl=2166 pos[1]=[-1.6 -1.1 -42.9] dr=1.93 t=22660.0ps kin=1.53 pot=21.55 Rg=29.497 SPS=1692
bl=2167 pos[1]=[-2.2 -1.6 -41.8] dr=1.93 t=22670.0ps kin=1.47 pot=21.51 Rg=29.467 SPS=1657
bl=2168 pos[1]=[-1.2 -3.2 -39.5] dr=2.01 t=22680.0ps kin=1.51 pot=21.51 Rg=29.398 SPS=1660
bl=2169 pos[1]=[-2.2 -5.1 -39.0] dr=1.95 t=22690.0ps kin=1.55 pot=21.50 Rg=29.350 SPS=1612
bl=2170 pos[1]=[-4.6 -7.7 -41.0] dr=1.94 t=22700.0ps kin=1.53 pot=21.56 Rg=29.249 SPS=1644
bl=2171 pos[1]=[-3.0 -7.9 -45.1] dr=1.98 t=22710.0ps kin=1.57 pot=21.49 Rg=29.149 SPS=1605
bl=2172 pos[1]=[0.2 -9.7 -44.9] dr=1.96 t=22720.0ps kin=1.51 pot=21.54 Rg=29.134 SPS=1638
bl=2173 pos[1]=[-1.1 -8.4 -43.6] dr=1.82 t=22730.0ps kin=1.52 pot=21.53 Rg=29.191 SPS=1648
bl=2174 pos[1]=[-0.1 -9.6 -44.8] dr=1.98 t=22740.0ps kin=1.55 pot=21.56 Rg=29.320 SPS=1633
bl=2175 pos[1]=[0.1 -12.1 -46.8] dr=2.02 t=22750.0ps kin=1.52 pot=21.53 Rg=29.395 SPS=1635
bl=2176 pos[1]=[0.2 -12.2 -47.0] dr=1.93 t=22760.0ps kin=1.50 pot=21.52 Rg=29.372 SPS=1629
bl=2177 pos[1]=[-2.3 -11.9 -45.1] dr=1.95 t=22770.0ps kin=1.52 pot=21.52 Rg=29.456 SPS=1652
bl=2178 pos[1]=[-2.6 -10.7 -46.8] dr=1.95 t=22780.0ps kin=1.51 pot=21.50 Rg=29.505 SPS=1643
bl=2179 pos[1]=[-1.0 -8.0 -46.8] dr=1.96 t=22790.0ps kin=1.49 pot=21.49 Rg=29.578 SPS=1630
bl=2180 pos[1]=[1.0 -7.3 -48.6] dr=1.91 t=22800.0ps kin=1.45 pot=21.53 Rg=29.680 SPS=1628
bl=2181 pos[1]=[1.4 -4.0 -48.0] dr=1.87 t=22810.0ps kin=1.48 pot=21.52 Rg=29.714 SPS=1649
bl=2182 pos[1]=[-0.9 -4.6 -44.6] dr=1.92 t=22820.0ps kin=1.53 pot=21.47 Rg=29.750 SPS=1618
bl=2183 pos[1]=[-2.4 -4.9 -44.2] dr=1.97 t=22830.0ps kin=1.46 pot=21.52 Rg=29.794 SPS=1656
bl=2184 pos[1]=[-2.2 -3.6 -45.3] dr=1.93 t=22840.0ps kin=1.51 pot=21.46 Rg=29.788 SPS=1506
bl=2185 pos[1]=[-2.8 -0.8 -47.2] dr=1.99 t=22850.0ps kin=1.52 pot=21.54 Rg=29.859 SPS=1663
bl=2186 pos[1]=[-1.8 -0.5 -49.2] dr=1.88 t=22860.0ps kin=1.49 pot=21.51 Rg=29.955 SPS=1666
bl=2187 pos[1]=[-1.4 1.3 -49.3] dr=1.91 t=22870.0ps kin=1.47 pot=21.55 Rg=29.965 SPS=1637
bl=2188 pos[1]=[-0.7 2.6 -46.5] dr=1.92 t=22880.0ps kin=1.54 pot=21.48 Rg=29.913 SPS=1656
bl=2189 pos[1]=[-0.7 2.2 -46.8] dr=1.94 t=22890.0ps kin=1.50 pot=21.44 Rg=29.889 SPS=1657
bl=2190 pos[1]=[-0.4 3.5 -45.6] dr=1.93 t=22900.0ps kin=1.55 pot=21.51 Rg=29.976 SPS=1643
bl=2191 pos[1]=[-3.7 4.3 -44.6] dr=2.01 t=22910.0ps kin=1.52 pot=21.50 Rg=30.057 SPS=1600
bl=2192 pos[1]=[-6.0 3.8 -44.9] dr=1.88 t=22920.0ps kin=1.49 pot=21.52 Rg=30.046 SPS=1583
bl=2193 pos[1]=[-3.9 1.1 -44.4] dr=1.94 t=22930.0ps kin=1.49 pot=21.52 Rg=30.039 SPS=1591
bl=2194 pos[1]=[-1.8 1.2 -43.0] dr=1.88 t=22940.0ps kin=1.50 pot=21.54 Rg=30.052 SPS=1650
bl=2195 pos[1]=[1.2 2.8 -40.6] dr=1.97 t=22950.0ps kin=1.54 pot=21.45 Rg=30.051 SPS=1624
bl=2196 pos[1]=[-0.0 3.9 -42.2] dr=1.98 t=22960.0ps kin=1.54 pot=21.49 Rg=30.067 SPS=1636
bl=2197 pos[1]=[-1.8 2.9 -42.4] dr=1.99 t=22970.0ps kin=1.50 pot=21.52 Rg=30.061 SPS=1643
bl=2198 pos[1]=[-0.3 0.9 -40.5] dr=1.89 t=22980.0ps kin=1.51 pot=21.55 Rg=30.095 SPS=1629
bl=2199 pos[1]=[-1.3 -5.0 -39.7] dr=1.88 t=22990.0ps kin=1.50 pot=21.51 Rg=30.071 SPS=1671
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [4.82002307 3.91596682 3.36037688] Rg = 30.07137
median bond size is 0.9663294992731816
three shortest/longest (<10)/ bonds are [0.88354137 0.89098216 0.89205666] [1.09800232 1.10328036 1.11771988]
95 percentile of distance to center is: 44.096877049755236
density of closest 95% monomers is: 0.003586502883433894
density of the core monomers is: 0.004097770194125992
min/median/mean/max coordinates are:
x: -27.12, 1.85, 4.82, 46.99
y: -42.55, 7.10, 3.92, 38.49
z: -40.66, 5.30, 3.36, 33.11
Statistics for velocities:
mean kinetic energy is: 1.5041147554603214 should be: 1.5
fastest particles are (in kT): [7.80578044 9.07390842 9.11938303 9.16716614 9.72252731]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.511263596976402
bl=2200 pos[1]=[-3.2 -6.4 -41.4] dr=1.95 t=23000.0ps kin=1.51 pot=21.48 Rg=30.170 SPS=1654
bl=2201 pos[1]=[-3.6 -4.7 -39.2] dr=1.98 t=23010.0ps kin=1.52 pot=21.52 Rg=30.184 SPS=1701
bl=2202 pos[1]=[-3.3 -5.8 -40.0] dr=1.99 t=23020.0ps kin=1.48 pot=21.52 Rg=30.250 SPS=1685
bl=2203 pos[1]=[-0.5 -5.0 -38.6] dr=2.02 t=23030.0ps kin=1.50 pot=21.48 Rg=30.256 SPS=1662
bl=2204 pos[1]=[0.0 -5.0 -38.9] dr=1.96 t=23040.0ps kin=1.47 pot=21.49 Rg=30.231 SPS=1680
bl=2205 pos[1]=[1.2 -2.2 -37.2] dr=2.00 t=23050.0ps kin=1.47 pot=21.53 Rg=30.230 SPS=1680
bl=2206 pos[1]=[1.1 -5.1 -38.8] dr=1.90 t=23060.0ps kin=1.51 pot=21.53 Rg=30.183 SPS=1672
bl=2207 pos[1]=[0.6 -5.3 -38.1] dr=1.93 t=23070.0ps kin=1.42 pot=21.51 Rg=30.101 SPS=1689
bl=2208 pos[1]=[1.4 -2.6 -35.6] dr=1.91 t=23080.0ps kin=1.52 pot=21.48 Rg=30.181 SPS=1629
bl=2209 pos[1]=[3.3 0.0 -32.0] dr=1.94 t=23090.0ps kin=1.52 pot=21.53 Rg=30.229 SPS=1672
bl=2210 pos[1]=[4.3 0.4 -31.6] dr=1.98 t=23100.0ps kin=1.53 pot=21.45 Rg=30.351 SPS=1676
bl=2211 pos[1]=[6.7 0.3 -31.4] dr=1.92 t=23110.0ps kin=1.52 pot=21.49 Rg=30.274 SPS=1653
bl=2212 pos[1]=[5.2 0.4 -32.7] dr=1.86 t=23120.0ps kin=1.50 pot=21.56 Rg=30.195 SPS=1690
bl=2213 pos[1]=[6.0 -1.6 -34.5] dr=2.02 t=23130.0ps kin=1.50 pot=21.52 Rg=30.191 SPS=1560
bl=2214 pos[1]=[5.6 -3.7 -33.2] dr=1.94 t=23140.0ps kin=1.50 pot=21.49 Rg=30.231 SPS=1703
bl=2215 pos[1]=[6.5 -3.4 -29.7] dr=1.88 t=23150.0ps kin=1.49 pot=21.49 Rg=30.289 SPS=1655
bl=2216 pos[1]=[3.0 -1.9 -30.0] dr=1.91 t=23160.0ps kin=1.49 pot=21.49 Rg=30.350 SPS=1700
bl=2217 pos[1]=[3.6 0.6 -33.7] dr=1.97 t=23170.0ps kin=1.50 pot=21.52 Rg=30.254 SPS=1734
bl=2218 pos[1]=[3.3 2.3 -35.2] dr=1.98 t=23180.0ps kin=1.46 pot=21.50 Rg=30.186 SPS=1642
bl=2219 pos[1]=[4.5 3.5 -36.5] dr=1.95 t=23190.0ps kin=1.50 pot=21.49 Rg=30.050 SPS=1634
bl=2220 pos[1]=[6.6 4.0 -36.1] dr=1.95 t=23200.0ps kin=1.51 pot=21.52 Rg=29.850 SPS=1633
bl=2221 pos[1]=[5.0 2.6 -36.3] dr=1.94 t=23210.0ps kin=1.60 pot=21.49 Rg=29.700 SPS=1621
bl=2222 pos[1]=[6.0 -1.5 -34.7] dr=1.94 t=23220.0ps kin=1.49 pot=21.54 Rg=29.552 SPS=1656
bl=2223 pos[1]=[6.7 -5.5 -33.7] dr=1.92 t=23230.0ps kin=1.51 pot=21.56 Rg=29.436 SPS=1648
bl=2224 pos[1]=[7.4 -4.6 -32.8] dr=1.92 t=23240.0ps kin=1.51 pot=21.51 Rg=29.402 SPS=1703
bl=2225 pos[1]=[8.1 -3.6 -35.5] dr=1.92 t=23250.0ps kin=1.45 pot=21.51 Rg=29.374 SPS=1646
bl=2226 pos[1]=[8.0 -2.0 -37.5] dr=1.86 t=23260.0ps kin=1.50 pot=21.48 Rg=29.378 SPS=1621
bl=2227 pos[1]=[8.7 -2.1 -37.3] dr=1.85 t=23270.0ps kin=1.51 pot=21.49 Rg=29.383 SPS=1642
bl=2228 pos[1]=[8.6 0.4 -38.7] dr=1.91 t=23280.0ps kin=1.50 pot=21.51 Rg=29.322 SPS=1665
bl=2229 pos[1]=[6.9 3.2 -40.5] dr=1.93 t=23290.0ps kin=1.52 pot=21.54 Rg=29.326 SPS=1651
bl=2230 pos[1]=[8.7 5.8 -41.8] dr=1.96 t=23300.0ps kin=1.51 pot=21.45 Rg=29.319 SPS=1459
bl=2231 pos[1]=[10.5 7.8 -40.7] dr=1.85 t=23310.0ps kin=1.47 pot=21.52 Rg=29.361 SPS=1584
bl=2232 pos[1]=[11.6 8.4 -38.2] dr=1.93 t=23320.0ps kin=1.48 pot=21.50 Rg=29.369 SPS=1604
bl=2233 pos[1]=[10.8 10.3 -38.1] dr=1.90 t=23330.0ps kin=1.47 pot=21.54 Rg=29.389 SPS=1612
bl=2234 pos[1]=[9.1 9.5 -37.4] dr=1.88 t=23340.0ps kin=1.48 pot=21.55 Rg=29.314 SPS=1665
bl=2235 pos[1]=[7.8 8.6 -36.5] dr=1.96 t=23350.0ps kin=1.52 pot=21.49 Rg=29.238 SPS=1585
bl=2236 pos[1]=[5.0 9.0 -38.9] dr=1.96 t=23360.0ps kin=1.48 pot=21.51 Rg=29.201 SPS=1627
bl=2237 pos[1]=[5.1 7.3 -42.4] dr=1.94 t=23370.0ps kin=1.51 pot=21.52 Rg=29.159 SPS=1623
bl=2238 pos[1]=[6.1 5.9 -41.9] dr=1.97 t=23380.0ps kin=1.52 pot=21.57 Rg=29.127 SPS=1621
bl=2239 pos[1]=[6.6 5.4 -42.4] dr=2.00 t=23390.0ps kin=1.43 pot=21.55 Rg=29.078 SPS=1521
bl=2240 pos[1]=[7.1 6.2 -40.1] dr=1.96 t=23400.0ps kin=1.53 pot=21.51 Rg=28.923 SPS=1637
bl=2241 pos[1]=[6.8 6.0 -38.3] dr=1.93 t=23410.0ps kin=1.50 pot=21.54 Rg=28.728 SPS=1567
bl=2242 pos[1]=[9.3 6.1 -39.2] dr=1.97 t=23420.0ps kin=1.52 pot=21.52 Rg=28.695 SPS=1583
bl=2243 pos[1]=[7.4 9.6 -37.4] dr=1.92 t=23430.0ps kin=1.56 pot=21.49 Rg=28.748 SPS=1612
bl=2244 pos[1]=[8.5 9.5 -33.5] dr=1.93 t=23440.0ps kin=1.53 pot=21.47 Rg=28.814 SPS=1590
bl=2245 pos[1]=[8.6 10.3 -33.1] dr=1.92 t=23450.0ps kin=1.52 pot=21.53 Rg=28.791 SPS=1598
bl=2246 pos[1]=[8.6 8.6 -34.7] dr=1.93 t=23460.0ps kin=1.51 pot=21.57 Rg=28.682 SPS=1619
bl=2247 pos[1]=[6.6 8.6 -36.7] dr=1.96 t=23470.0ps kin=1.52 pot=21.51 Rg=28.656 SPS=1589
bl=2248 pos[1]=[6.2 7.5 -36.7] dr=1.94 t=23480.0ps kin=1.48 pot=21.52 Rg=28.688 SPS=1591
bl=2249 pos[1]=[4.3 6.0 -36.7] dr=1.94 t=23490.0ps kin=1.49 pot=21.53 Rg=28.741 SPS=1598
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [4.57181757 3.74019729 1.9713858 ] Rg = 28.740627
median bond size is 0.9666231106730139
three shortest/longest (<10)/ bonds are [0.88243106 0.885066 0.88808352] [1.08991092 1.09640384 1.10629305]
95 percentile of distance to center is: 41.049566617324174
density of closest 95% monomers is: 0.004445994860544168
density of the core monomers is: 0.0066190256369306096
min/median/mean/max coordinates are:
x: -27.83, 2.32, 4.57, 39.25
y: -33.15, 5.38, 3.74, 39.16
z: -36.68, 3.97, 1.97, 29.38
Statistics for velocities:
mean kinetic energy is: 1.4892714449049194 should be: 1.5
fastest particles are (in kT): [ 6.38704895 6.70351042 8.3927119 8.98136413 10.98647043]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.52584001659292
bl=2250 pos[1]=[5.8 8.2 -36.3] dr=1.90 t=23500.0ps kin=1.49 pot=21.51 Rg=28.803 SPS=1681
bl=2251 pos[1]=[6.3 7.8 -35.2] dr=1.98 t=23510.0ps kin=1.54 pot=21.50 Rg=28.990 SPS=1595
bl=2252 pos[1]=[7.0 8.1 -33.5] dr=1.92 t=23520.0ps kin=1.49 pot=21.51 Rg=29.106 SPS=1582
bl=2253 pos[1]=[5.2 9.4 -31.6] dr=1.95 t=23530.0ps kin=1.49 pot=21.49 Rg=29.190 SPS=1619
bl=2254 pos[1]=[4.5 7.2 -30.8] dr=1.97 t=23540.0ps kin=1.61 pot=21.50 Rg=29.306 SPS=1681
bl=2255 pos[1]=[1.4 6.3 -32.4] dr=1.91 t=23550.0ps kin=1.50 pot=21.55 Rg=29.388 SPS=1613
bl=2256 pos[1]=[2.4 4.7 -33.0] dr=1.97 t=23560.0ps kin=1.47 pot=21.52 Rg=29.603 SPS=1600
bl=2257 pos[1]=[0.5 2.7 -32.7] dr=1.98 t=23570.0ps kin=1.52 pot=21.48 Rg=29.674 SPS=1604
bl=2258 pos[1]=[3.1 2.1 -31.1] dr=1.89 t=23580.0ps kin=1.49 pot=21.51 Rg=29.689 SPS=1615
bl=2259 pos[1]=[5.2 3.5 -31.8] dr=1.95 t=23590.0ps kin=1.53 pot=21.49 Rg=29.796 SPS=1621
bl=2260 pos[1]=[7.4 2.9 -32.2] dr=1.95 t=23600.0ps kin=1.44 pot=21.50 Rg=29.881 SPS=1615
bl=2261 pos[1]=[9.7 1.6 -30.1] dr=1.90 t=23610.0ps kin=1.51 pot=21.47 Rg=29.858 SPS=1568
bl=2262 pos[1]=[10.4 3.9 -30.1] dr=1.87 t=23620.0ps kin=1.46 pot=21.50 Rg=29.837 SPS=1588
bl=2263 pos[1]=[8.2 7.4 -27.6] dr=1.95 t=23630.0ps kin=1.45 pot=21.51 Rg=29.833 SPS=1599
bl=2264 pos[1]=[7.7 7.2 -30.3] dr=1.92 t=23640.0ps kin=1.45 pot=21.52 Rg=29.826 SPS=1605
bl=2265 pos[1]=[4.0 6.2 -30.7] dr=1.92 t=23650.0ps kin=1.50 pot=21.53 Rg=29.874 SPS=1616
bl=2266 pos[1]=[5.0 6.8 -30.1] dr=1.90 t=23660.0ps kin=1.54 pot=21.53 Rg=29.837 SPS=1591
bl=2267 pos[1]=[2.3 8.2 -27.1] dr=1.93 t=23670.0ps kin=1.52 pot=21.47 Rg=29.782 SPS=1619
bl=2268 pos[1]=[2.5 6.0 -26.2] dr=1.94 t=23680.0ps kin=1.51 pot=21.51 Rg=29.718 SPS=1522
bl=2269 pos[1]=[0.9 5.5 -25.2] dr=1.95 t=23690.0ps kin=1.49 pot=21.47 Rg=29.685 SPS=1583
bl=2270 pos[1]=[2.0 5.6 -26.0] dr=1.88 t=23700.0ps kin=1.52 pot=21.53 Rg=29.703 SPS=1600
bl=2271 pos[1]=[1.6 3.2 -28.4] dr=1.96 t=23710.0ps kin=1.52 pot=21.53 Rg=29.765 SPS=1607
bl=2272 pos[1]=[0.2 3.1 -27.7] dr=1.91 t=23720.0ps kin=1.44 pot=21.53 Rg=29.827 SPS=1579
bl=2273 pos[1]=[2.7 5.8 -28.0] dr=1.88 t=23730.0ps kin=1.50 pot=21.56 Rg=29.826 SPS=1580
bl=2274 pos[1]=[1.6 7.3 -25.2] dr=1.87 t=23740.0ps kin=1.51 pot=21.55 Rg=29.832 SPS=1606
bl=2275 pos[1]=[3.5 5.7 -26.5] dr=1.84 t=23750.0ps kin=1.52 pot=21.55 Rg=29.866 SPS=1623
bl=2276 pos[1]=[2.8 4.2 -28.3] dr=1.91 t=23760.0ps kin=1.53 pot=21.48 Rg=29.927 SPS=1595
bl=2277 pos[1]=[2.0 1.7 -31.2] dr=1.90 t=23770.0ps kin=1.49 pot=21.48 Rg=30.035 SPS=1537
bl=2278 pos[1]=[-0.1 -0.1 -30.7] dr=1.82 t=23780.0ps kin=1.49 pot=21.51 Rg=29.995 SPS=1595
bl=2279 pos[1]=[-0.6 0.3 -29.4] dr=1.90 t=23790.0ps kin=1.49 pot=21.55 Rg=29.837 SPS=1626
bl=2280 pos[1]=[-1.2 -1.2 -31.5] dr=1.90 t=23800.0ps kin=1.50 pot=21.52 Rg=29.687 SPS=1665
bl=2281 pos[1]=[1.5 -1.3 -32.5] dr=1.82 t=23810.0ps kin=1.49 pot=21.54 Rg=29.645 SPS=1627
bl=2282 pos[1]=[1.0 -3.8 -33.8] dr=1.90 t=23820.0ps kin=1.56 pot=21.52 Rg=29.683 SPS=1598
bl=2283 pos[1]=[-1.9 -3.5 -32.7] dr=1.93 t=23830.0ps kin=1.48 pot=21.48 Rg=29.568 SPS=1602
bl=2284 pos[1]=[-3.5 -2.3 -34.1] dr=1.94 t=23840.0ps kin=1.46 pot=21.51 Rg=29.428 SPS=1600
bl=2285 pos[1]=[-4.1 -2.6 -33.7] dr=1.88 t=23850.0ps kin=1.54 pot=21.49 Rg=29.362 SPS=1583
bl=2286 pos[1]=[-5.3 -2.8 -33.7] dr=1.91 t=23860.0ps kin=1.51 pot=21.52 Rg=29.343 SPS=1618
bl=2287 pos[1]=[-3.7 -0.1 -34.3] dr=1.90 t=23870.0ps kin=1.51 pot=21.53 Rg=29.393 SPS=1614
bl=2288 pos[1]=[-4.0 0.5 -34.8] dr=1.93 t=23880.0ps kin=1.58 pot=21.52 Rg=29.398 SPS=1617
bl=2289 pos[1]=[-4.8 0.5 -35.6] dr=1.89 t=23890.0ps kin=1.56 pot=21.51 Rg=29.469 SPS=1620
bl=2290 pos[1]=[-7.3 2.8 -37.7] dr=1.90 t=23900.0ps kin=1.47 pot=21.54 Rg=29.456 SPS=1581
bl=2291 pos[1]=[-8.9 2.3 -38.4] dr=1.94 t=23910.0ps kin=1.49 pot=21.53 Rg=29.500 SPS=1610
bl=2292 pos[1]=[-10.0 -1.9 -35.8] dr=1.88 t=23920.0ps kin=1.44 pot=21.52 Rg=29.463 SPS=1576
bl=2293 pos[1]=[-7.5 -3.4 -33.4] dr=1.96 t=23930.0ps kin=1.52 pot=21.50 Rg=29.539 SPS=1594
bl=2294 pos[1]=[-3.9 -2.8 -32.6] dr=1.86 t=23940.0ps kin=1.50 pot=21.55 Rg=29.704 SPS=1586
bl=2295 pos[1]=[-3.9 -2.6 -33.1] dr=1.81 t=23950.0ps kin=1.50 pot=21.52 Rg=29.768 SPS=1598
bl=2296 pos[1]=[-4.3 -2.3 -33.1] dr=1.88 t=23960.0ps kin=1.45 pot=21.50 Rg=29.677 SPS=1602
bl=2297 pos[1]=[-0.5 -1.5 -30.7] dr=1.93 t=23970.0ps kin=1.47 pot=21.48 Rg=29.603 SPS=1492
bl=2298 pos[1]=[-1.5 -0.1 -27.7] dr=1.89 t=23980.0ps kin=1.45 pot=21.49 Rg=29.556 SPS=1648
bl=2299 pos[1]=[-2.3 -1.6 -27.9] dr=1.97 t=23990.0ps kin=1.51 pot=21.47 Rg=29.536 SPS=1553
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.34871011 4.17183842 1.72556621] Rg = 29.536438
median bond size is 0.9670513211266875
three shortest/longest (<10)/ bonds are [0.87458246 0.89412501 0.89450796] [1.07454726 1.10757254 1.1127021 ]
95 percentile of distance to center is: 45.96965666968534
density of closest 95% monomers is: 0.0031657812676160594
density of the core monomers is: 0.008721081576482595
min/median/mean/max coordinates are:
x: -28.39, 4.19, 5.35, 47.49
y: -34.11, 7.07, 4.17, 39.77
z: -30.73, 3.04, 1.73, 21.67
Statistics for velocities:
mean kinetic energy is: 1.5170972651200731 should be: 1.5
fastest particles are (in kT): [7.69260578 8.18692696 8.23154398 8.69894652 9.31028739]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.470792427175518
bl=2300 pos[1]=[-2.4 -0.7 -29.9] dr=1.91 t=24000.0ps kin=1.46 pot=21.51 Rg=29.531 SPS=1587
bl=2301 pos[1]=[-3.3 -1.2 -30.9] dr=1.95 t=24010.0ps kin=1.49 pot=21.47 Rg=29.424 SPS=1566
bl=2302 pos[1]=[-5.6 -0.7 -30.9] dr=1.92 t=24020.0ps kin=1.45 pot=21.50 Rg=29.397 SPS=1638
bl=2303 pos[1]=[-3.3 -1.2 -31.6] dr=1.94 t=24030.0ps kin=1.49 pot=21.49 Rg=29.312 SPS=1627
bl=2304 pos[1]=[-5.8 2.8 -32.8] dr=1.97 t=24040.0ps kin=1.51 pot=21.52 Rg=29.426 SPS=1606
bl=2305 pos[1]=[-5.3 2.4 -34.5] dr=1.94 t=24050.0ps kin=1.42 pot=21.55 Rg=29.406 SPS=1589
bl=2306 pos[1]=[-4.4 2.7 -36.0] dr=1.84 t=24060.0ps kin=1.53 pot=21.52 Rg=29.307 SPS=1590
bl=2307 pos[1]=[-4.0 3.6 -36.3] dr=1.95 t=24070.0ps kin=1.55 pot=21.55 Rg=29.294 SPS=1586
bl=2308 pos[1]=[-3.4 4.9 -35.1] dr=1.94 t=24080.0ps kin=1.51 pot=21.53 Rg=29.335 SPS=1588
bl=2309 pos[1]=[-2.7 3.3 -33.8] dr=1.91 t=24090.0ps kin=1.45 pot=21.51 Rg=29.341 SPS=1620
bl=2310 pos[1]=[-5.2 2.5 -31.8] dr=1.91 t=24100.0ps kin=1.47 pot=21.50 Rg=29.337 SPS=1602
bl=2311 pos[1]=[-7.0 7.8 -33.3] dr=1.89 t=24110.0ps kin=1.45 pot=21.53 Rg=29.443 SPS=1579
bl=2312 pos[1]=[-6.1 8.7 -32.1] dr=1.90 t=24120.0ps kin=1.43 pot=21.51 Rg=29.534 SPS=1601
bl=2313 pos[1]=[-5.9 8.9 -33.7] dr=1.90 t=24130.0ps kin=1.44 pot=21.52 Rg=29.538 SPS=1605
bl=2314 pos[1]=[-9.7 7.3 -32.0] dr=1.92 t=24140.0ps kin=1.45 pot=21.53 Rg=29.668 SPS=1579
bl=2315 pos[1]=[-7.6 5.2 -31.0] dr=1.93 t=24150.0ps kin=1.53 pot=21.51 Rg=29.711 SPS=1609
bl=2316 pos[1]=[-4.8 5.0 -31.9] dr=1.86 t=24160.0ps kin=1.44 pot=21.53 Rg=29.764 SPS=1605
bl=2317 pos[1]=[-3.4 4.1 -29.8] dr=1.92 t=24170.0ps kin=1.49 pot=21.52 Rg=29.776 SPS=1613
bl=2318 pos[1]=[-1.8 2.2 -29.6] dr=1.92 t=24180.0ps kin=1.51 pot=21.53 Rg=29.726 SPS=1600
bl=2319 pos[1]=[-3.2 0.9 -30.8] dr=1.94 t=24190.0ps kin=1.54 pot=21.51 Rg=29.695 SPS=1592
bl=2320 pos[1]=[-1.9 2.3 -32.1] dr=2.00 t=24200.0ps kin=1.54 pot=21.54 Rg=29.654 SPS=1598
bl=2321 pos[1]=[-0.4 1.2 -35.0] dr=1.99 t=24210.0ps kin=1.54 pot=21.57 Rg=29.546 SPS=1575
bl=2322 pos[1]=[-0.4 0.1 -35.0] dr=1.94 t=24220.0ps kin=1.55 pot=21.57 Rg=29.421 SPS=1572
bl=2323 pos[1]=[-0.2 0.6 -34.6] dr=1.97 t=24230.0ps kin=1.52 pot=21.55 Rg=29.283 SPS=1599
bl=2324 pos[1]=[-1.7 1.0 -32.1] dr=1.96 t=24240.0ps kin=1.53 pot=21.50 Rg=29.404 SPS=1585
bl=2325 pos[1]=[-2.1 1.6 -31.4] dr=1.94 t=24250.0ps kin=1.53 pot=21.47 Rg=29.521 SPS=1576
bl=2326 pos[1]=[-2.0 5.2 -30.5] dr=1.94 t=24260.0ps kin=1.52 pot=21.55 Rg=29.656 SPS=1651
bl=2327 pos[1]=[-2.0 5.5 -32.7] dr=1.89 t=24270.0ps kin=1.46 pot=21.47 Rg=29.731 SPS=1645
bl=2328 pos[1]=[-2.9 4.1 -33.8] dr=1.88 t=24280.0ps kin=1.50 pot=21.49 Rg=29.800 SPS=1622
bl=2329 pos[1]=[-0.9 2.2 -35.8] dr=1.96 t=24290.0ps kin=1.51 pot=21.47 Rg=29.815 SPS=1491
bl=2330 pos[1]=[-2.6 1.8 -36.1] dr=2.01 t=24300.0ps kin=1.49 pot=21.48 Rg=29.693 SPS=1611
bl=2331 pos[1]=[-0.4 1.5 -35.6] dr=1.94 t=24310.0ps kin=1.52 pot=21.52 Rg=29.637 SPS=1596
bl=2332 pos[1]=[-0.3 3.5 -35.6] dr=1.88 t=24320.0ps kin=1.52 pot=21.52 Rg=29.641 SPS=1579
bl=2333 pos[1]=[-2.4 4.3 -34.0] dr=1.98 t=24330.0ps kin=1.48 pot=21.53 Rg=29.646 SPS=1582
bl=2334 pos[1]=[-1.6 5.6 -36.3] dr=1.93 t=24340.0ps kin=1.43 pot=21.50 Rg=29.702 SPS=1568
bl=2335 pos[1]=[-1.7 5.7 -38.5] dr=1.90 t=24350.0ps kin=1.47 pot=21.48 Rg=29.730 SPS=1581
bl=2336 pos[1]=[-0.9 3.6 -39.4] dr=1.90 t=24360.0ps kin=1.51 pot=21.55 Rg=29.770 SPS=1597
bl=2337 pos[1]=[0.0 4.9 -39.4] dr=1.94 t=24370.0ps kin=1.52 pot=21.49 Rg=29.816 SPS=1604
bl=2338 pos[1]=[2.2 4.5 -36.9] dr=1.93 t=24380.0ps kin=1.48 pot=21.48 Rg=29.699 SPS=1584
bl=2339 pos[1]=[1.6 4.6 -36.7] dr=1.91 t=24390.0ps kin=1.53 pot=21.50 Rg=29.590 SPS=1594
bl=2340 pos[1]=[4.0 4.4 -36.1] dr=1.96 t=24400.0ps kin=1.47 pot=21.50 Rg=29.457 SPS=1584
bl=2341 pos[1]=[3.5 3.7 -35.2] dr=1.96 t=24410.0ps kin=1.47 pot=21.55 Rg=29.410 SPS=1580
bl=2342 pos[1]=[4.1 2.2 -35.7] dr=1.91 t=24420.0ps kin=1.51 pot=21.49 Rg=29.347 SPS=1595
bl=2343 pos[1]=[3.9 1.1 -36.1] dr=1.92 t=24430.0ps kin=1.46 pot=21.51 Rg=29.277 SPS=1582
bl=2344 pos[1]=[3.4 0.8 -34.7] dr=1.85 t=24440.0ps kin=1.52 pot=21.49 Rg=29.330 SPS=1606
bl=2345 pos[1]=[2.5 5.0 -34.8] dr=1.98 t=24450.0ps kin=1.48 pot=21.50 Rg=29.337 SPS=1603
bl=2346 pos[1]=[-1.0 4.8 -34.2] dr=1.90 t=24460.0ps kin=1.49 pot=21.46 Rg=29.359 SPS=1577
bl=2347 pos[1]=[-0.9 3.2 -37.3] dr=1.96 t=24470.0ps kin=1.55 pot=21.49 Rg=29.332 SPS=1575
bl=2348 pos[1]=[0.7 1.3 -37.5] dr=1.97 t=24480.0ps kin=1.52 pot=21.53 Rg=29.331 SPS=1598
bl=2349 pos[1]=[2.0 3.5 -35.6] dr=1.97 t=24490.0ps kin=1.46 pot=21.51 Rg=29.366 SPS=1592
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.05214253 3.72791996 1.13362815] Rg = 29.366344
median bond size is 0.9666881125176379
three shortest/longest (<10)/ bonds are [0.88587752 0.88933026 0.89010826] [1.09243289 1.10027788 1.12136729]
95 percentile of distance to center is: 45.53492645031301
density of closest 95% monomers is: 0.0032573225604161913
density of the core monomers is: 0.007816017264302264
min/median/mean/max coordinates are:
x: -26.07, 3.06, 5.05, 40.18
y: -39.13, 8.94, 3.73, 42.36
z: -37.07, 2.74, 1.13, 24.12
Statistics for velocities:
mean kinetic energy is: 1.460268484215581 should be: 1.5
fastest particles are (in kT): [6.05067863 6.10446404 6.24033813 6.73184324 6.90796039]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.50950636061947
bl=2350 pos[1]=[0.9 5.1 -38.8] dr=1.84 t=24500.0ps kin=1.52 pot=21.52 Rg=29.388 SPS=1570
bl=2351 pos[1]=[-1.7 3.8 -39.7] dr=1.89 t=24510.0ps kin=1.52 pot=21.52 Rg=29.475 SPS=1594
bl=2352 pos[1]=[-2.1 5.6 -38.7] dr=1.93 t=24520.0ps kin=1.52 pot=21.52 Rg=29.593 SPS=1595
bl=2353 pos[1]=[-2.7 8.7 -37.6] dr=2.00 t=24530.0ps kin=1.48 pot=21.55 Rg=29.536 SPS=1599
bl=2354 pos[1]=[-4.3 9.0 -37.6] dr=1.92 t=24540.0ps kin=1.50 pot=21.53 Rg=29.585 SPS=1601
bl=2355 pos[1]=[-2.0 7.8 -35.2] dr=1.97 t=24550.0ps kin=1.50 pot=21.51 Rg=29.571 SPS=1642
bl=2356 pos[1]=[-3.6 3.9 -32.5] dr=1.96 t=24560.0ps kin=1.53 pot=21.56 Rg=29.541 SPS=1588
bl=2357 pos[1]=[-6.9 3.8 -33.1] dr=2.02 t=24570.0ps kin=1.52 pot=21.51 Rg=29.505 SPS=1567
bl=2358 pos[1]=[-4.9 4.6 -36.0] dr=1.99 t=24580.0ps kin=1.48 pot=21.54 Rg=29.515 SPS=1596
bl=2359 pos[1]=[-5.8 4.4 -35.2] dr=1.90 t=24590.0ps kin=1.51 pot=21.54 Rg=29.549 SPS=1592
bl=2360 pos[1]=[-5.7 4.1 -35.1] dr=1.90 t=24600.0ps kin=1.47 pot=21.49 Rg=29.535 SPS=1566
bl=2361 pos[1]=[-3.4 2.5 -35.6] dr=1.99 t=24610.0ps kin=1.44 pot=21.52 Rg=29.619 SPS=1615
bl=2362 pos[1]=[1.4 4.0 -33.8] dr=1.95 t=24620.0ps kin=1.51 pot=21.53 Rg=29.623 SPS=1601
bl=2363 pos[1]=[1.2 5.4 -34.6] dr=1.92 t=24630.0ps kin=1.50 pot=21.48 Rg=29.548 SPS=1566
bl=2364 pos[1]=[-1.2 5.7 -34.6] dr=1.89 t=24640.0ps kin=1.53 pot=21.48 Rg=29.533 SPS=1601
bl=2365 pos[1]=[-0.6 5.8 -33.3] dr=1.96 t=24650.0ps kin=1.54 pot=21.48 Rg=29.566 SPS=1603
bl=2366 pos[1]=[-2.3 3.8 -31.7] dr=1.95 t=24660.0ps kin=1.52 pot=21.48 Rg=29.572 SPS=1582
bl=2367 pos[1]=[-1.7 4.2 -32.6] dr=1.92 t=24670.0ps kin=1.52 pot=21.52 Rg=29.644 SPS=1609
bl=2368 pos[1]=[-1.0 4.4 -32.7] dr=1.90 t=24680.0ps kin=1.53 pot=21.54 Rg=29.738 SPS=1601
bl=2369 pos[1]=[-1.2 3.4 -31.7] dr=1.93 t=24690.0ps kin=1.53 pot=21.53 Rg=29.770 SPS=1522
bl=2370 pos[1]=[-1.7 3.8 -32.5] dr=1.90 t=24700.0ps kin=1.53 pot=21.49 Rg=29.770 SPS=1587
bl=2371 pos[1]=[-0.8 3.7 -32.2] dr=1.92 t=24710.0ps kin=1.51 pot=21.49 Rg=29.795 SPS=1589
bl=2372 pos[1]=[-1.6 4.5 -30.0] dr=1.92 t=24720.0ps kin=1.52 pot=21.54 Rg=29.821 SPS=1650
bl=2373 pos[1]=[-0.7 6.8 -30.1] dr=1.92 t=24730.0ps kin=1.50 pot=21.50 Rg=29.944 SPS=1652
bl=2374 pos[1]=[0.6 6.5 -32.4] dr=1.88 t=24740.0ps kin=1.50 pot=21.55 Rg=30.092 SPS=1603
bl=2375 pos[1]=[0.5 9.8 -32.4] dr=1.88 t=24750.0ps kin=1.52 pot=21.57 Rg=30.151 SPS=1611
bl=2376 pos[1]=[2.9 10.5 -32.7] dr=1.88 t=24760.0ps kin=1.48 pot=21.50 Rg=30.248 SPS=1590
bl=2377 pos[1]=[3.4 10.2 -34.2] dr=1.87 t=24770.0ps kin=1.48 pot=21.50 Rg=30.198 SPS=1598
bl=2378 pos[1]=[3.0 7.7 -34.2] dr=1.94 t=24780.0ps kin=1.46 pot=21.49 Rg=30.103 SPS=1573
bl=2379 pos[1]=[3.4 4.9 -35.0] dr=1.93 t=24790.0ps kin=1.46 pot=21.55 Rg=30.057 SPS=1590
bl=2380 pos[1]=[7.7 7.0 -33.7] dr=1.93 t=24800.0ps kin=1.47 pot=21.54 Rg=30.112 SPS=1591
bl=2381 pos[1]=[7.9 5.3 -32.1] dr=1.89 t=24810.0ps kin=1.45 pot=21.49 Rg=30.109 SPS=1640
bl=2382 pos[1]=[7.8 6.6 -32.7] dr=1.90 t=24820.0ps kin=1.47 pot=21.49 Rg=30.197 SPS=1625
bl=2383 pos[1]=[8.6 6.2 -31.2] dr=1.88 t=24830.0ps kin=1.48 pot=21.51 Rg=30.223 SPS=1577
bl=2384 pos[1]=[8.9 7.1 -31.9] dr=1.90 t=24840.0ps kin=1.50 pot=21.53 Rg=30.220 SPS=1594
bl=2385 pos[1]=[9.9 6.9 -33.7] dr=1.90 t=24850.0ps kin=1.50 pot=21.54 Rg=30.177 SPS=1586
bl=2386 pos[1]=[9.3 6.1 -35.3] dr=1.87 t=24860.0ps kin=1.46 pot=21.51 Rg=30.266 SPS=1577
bl=2387 pos[1]=[5.8 4.7 -36.3] dr=1.94 t=24870.0ps kin=1.50 pot=21.51 Rg=30.318 SPS=1564
bl=2388 pos[1]=[6.0 2.9 -35.6] dr=1.89 t=24880.0ps kin=1.59 pot=21.50 Rg=30.296 SPS=1598
bl=2389 pos[1]=[5.9 2.3 -36.4] dr=1.95 t=24890.0ps kin=1.51 pot=21.53 Rg=30.309 SPS=1582
bl=2390 pos[1]=[5.1 3.8 -37.1] dr=1.99 t=24900.0ps kin=1.56 pot=21.50 Rg=30.300 SPS=1592
bl=2391 pos[1]=[2.3 4.2 -35.7] dr=1.99 t=24910.0ps kin=1.52 pot=21.49 Rg=30.320 SPS=1602
bl=2392 pos[1]=[1.4 3.3 -35.1] dr=1.96 t=24920.0ps kin=1.51 pot=21.51 Rg=30.335 SPS=1565
bl=2393 pos[1]=[2.6 3.7 -30.3] dr=2.02 t=24930.0ps kin=1.52 pot=21.54 Rg=30.264 SPS=1580
bl=2394 pos[1]=[2.7 3.5 -31.1] dr=1.98 t=24940.0ps kin=1.54 pot=21.52 Rg=30.292 SPS=1603
bl=2395 pos[1]=[4.2 2.0 -33.1] dr=1.98 t=24950.0ps kin=1.50 pot=21.50 Rg=30.322 SPS=1610
bl=2396 pos[1]=[4.3 2.4 -32.3] dr=1.90 t=24960.0ps kin=1.52 pot=21.54 Rg=30.353 SPS=1575
bl=2397 pos[1]=[3.4 0.1 -30.9] dr=1.84 t=24970.0ps kin=1.49 pot=21.56 Rg=30.441 SPS=1607
bl=2398 pos[1]=[2.5 0.2 -31.1] dr=1.90 t=24980.0ps kin=1.52 pot=21.54 Rg=30.638 SPS=1494
bl=2399 pos[1]=[0.9 1.2 -31.3] dr=2.04 t=24990.0ps kin=1.53 pot=21.56 Rg=30.793 SPS=1601
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [5.90401159 4.50537384 1.39584708] Rg = 30.793243
median bond size is 0.9690357639064572
three shortest/longest (<10)/ bonds are [0.88392772 0.8872127 0.88756251] [1.08446914 1.09357936 1.09824029]
95 percentile of distance to center is: 49.66683111452274
density of closest 95% monomers is: 0.002510124892530702
density of the core monomers is: 0.004857084487513801
min/median/mean/max coordinates are:
x: -30.72, 4.45, 5.90, 41.75
y: -43.31, 10.69, 4.51, 41.10
z: -32.25, 3.50, 1.40, 27.22
Statistics for velocities:
mean kinetic energy is: 1.5283221437233447 should be: 1.5
fastest particles are (in kT): [8.08695307 8.60124326 8.83386556 9.3097687 9.85326282]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.56182015117994
bl=2400 pos[1]=[1.4 1.5 -34.1] dr=1.93 t=25000.0ps kin=1.51 pot=21.49 Rg=30.881 SPS=1564
bl=2401 pos[1]=[1.5 0.9 -33.0] dr=1.93 t=25010.0ps kin=1.57 pot=21.50 Rg=30.781 SPS=1639
bl=2402 pos[1]=[0.9 -1.5 -33.3] dr=2.01 t=25020.0ps kin=1.50 pot=21.54 Rg=30.598 SPS=1578
bl=2403 pos[1]=[0.7 1.3 -32.0] dr=1.93 t=25030.0ps kin=1.54 pot=21.52 Rg=30.618 SPS=1582
bl=2404 pos[1]=[-0.2 2.3 -33.5] dr=1.94 t=25040.0ps kin=1.55 pot=21.51 Rg=30.719 SPS=1578
bl=2405 pos[1]=[-3.3 2.9 -33.8] dr=1.91 t=25050.0ps kin=1.49 pot=21.51 Rg=30.772 SPS=1557
bl=2406 pos[1]=[-4.3 3.0 -35.6] dr=1.92 t=25060.0ps kin=1.54 pot=21.55 Rg=30.717 SPS=1601
bl=2407 pos[1]=[-2.5 2.2 -37.4] dr=1.94 t=25070.0ps kin=1.49 pot=21.50 Rg=30.688 SPS=1582
bl=2408 pos[1]=[-1.9 0.2 -34.0] dr=1.95 t=25080.0ps kin=1.49 pot=21.53 Rg=30.904 SPS=1568
bl=2409 pos[1]=[-2.0 -0.3 -35.3] dr=1.93 t=25090.0ps kin=1.41 pot=21.52 Rg=31.084 SPS=1586
bl=2410 pos[1]=[-0.6 2.1 -36.0] dr=1.90 t=25100.0ps kin=1.49 pot=21.52 Rg=31.173 SPS=1566
bl=2411 pos[1]=[-0.9 4.4 -38.5] dr=1.92 t=25110.0ps kin=1.49 pot=21.49 Rg=31.136 SPS=1605
bl=2412 pos[1]=[-1.8 4.2 -37.2] dr=1.99 t=25120.0ps kin=1.57 pot=21.50 Rg=31.038 SPS=1621
bl=2413 pos[1]=[-1.4 1.3 -39.2] dr=1.94 t=25130.0ps kin=1.50 pot=21.51 Rg=30.975 SPS=1597
bl=2414 pos[1]=[-0.6 1.3 -37.5] dr=1.99 t=25140.0ps kin=1.51 pot=21.46 Rg=30.898 SPS=1640
bl=2415 pos[1]=[-0.4 1.8 -35.7] dr=1.97 t=25150.0ps kin=1.47 pot=21.50 Rg=30.893 SPS=1600
bl=2416 pos[1]=[0.9 4.9 -35.5] dr=1.98 t=25160.0ps kin=1.48 pot=21.51 Rg=30.912 SPS=1623
bl=2417 pos[1]=[1.8 3.6 -35.3] dr=1.96 t=25170.0ps kin=1.50 pot=21.49 Rg=30.932 SPS=1592
bl=2418 pos[1]=[0.7 -0.0 -36.4] dr=2.00 t=25180.0ps kin=1.50 pot=21.53 Rg=30.905 SPS=1630
bl=2419 pos[1]=[0.0 -2.2 -38.4] dr=2.00 t=25190.0ps kin=1.47 pot=21.53 Rg=30.924 SPS=1649
bl=2420 pos[1]=[-1.7 -2.8 -36.3] dr=1.97 t=25200.0ps kin=1.50 pot=21.50 Rg=30.983 SPS=1582
bl=2421 pos[1]=[-2.9 -3.0 -35.2] dr=1.91 t=25210.0ps kin=1.54 pot=21.50 Rg=31.057 SPS=1575
bl=2422 pos[1]=[-2.1 -3.4 -33.4] dr=1.95 t=25220.0ps kin=1.50 pot=21.55 Rg=31.130 SPS=1590
bl=2423 pos[1]=[-0.3 -4.0 -34.7] dr=2.01 t=25230.0ps kin=1.51 pot=21.52 Rg=31.197 SPS=1586
bl=2424 pos[1]=[-0.9 -2.5 -35.8] dr=1.90 t=25240.0ps kin=1.43 pot=21.49 Rg=31.222 SPS=1590
bl=2425 pos[1]=[-3.2 -0.7 -34.3] dr=1.87 t=25250.0ps kin=1.44 pot=21.49 Rg=31.298 SPS=1456
bl=2426 pos[1]=[-2.9 0.7 -34.1] dr=1.96 t=25260.0ps kin=1.53 pot=21.51 Rg=31.296 SPS=1565
bl=2427 pos[1]=[-3.0 1.9 -37.7] dr=2.00 t=25270.0ps kin=1.52 pot=21.52 Rg=31.242 SPS=1577
bl=2428 pos[1]=[-5.0 -3.0 -35.3] dr=1.99 t=25280.0ps kin=1.53 pot=21.56 Rg=31.133 SPS=1583
bl=2429 pos[1]=[-1.7 -6.8 -34.4] dr=1.93 t=25290.0ps kin=1.47 pot=21.53 Rg=31.050 SPS=1559
bl=2430 pos[1]=[1.0 -6.7 -34.2] dr=1.87 t=25300.0ps kin=1.49 pot=21.55 Rg=31.005 SPS=1575
bl=2431 pos[1]=[0.2 -4.5 -31.2] dr=1.85 t=25310.0ps kin=1.55 pot=21.52 Rg=30.996 SPS=1583
bl=2432 pos[1]=[0.2 -2.4 -31.2] dr=1.94 t=25320.0ps kin=1.55 pot=21.54 Rg=31.047 SPS=1595
bl=2433 pos[1]=[1.7 -5.0 -31.5] dr=1.95 t=25330.0ps kin=1.53 pot=21.53 Rg=31.140 SPS=1577
bl=2434 pos[1]=[3.3 -2.1 -32.4] dr=1.92 t=25340.0ps kin=1.44 pot=21.53 Rg=31.231 SPS=1588
bl=2435 pos[1]=[1.4 -3.4 -32.1] dr=1.87 t=25350.0ps kin=1.46 pot=21.54 Rg=31.296 SPS=1486
bl=2436 pos[1]=[2.3 -1.6 -33.1] dr=2.00 t=25360.0ps kin=1.45 pot=21.53 Rg=31.327 SPS=1600
bl=2437 pos[1]=[1.9 -3.2 -33.0] dr=1.88 t=25370.0ps kin=1.47 pot=21.51 Rg=31.355 SPS=1571
bl=2438 pos[1]=[0.4 -6.2 -31.4] dr=1.96 t=25380.0ps kin=1.49 pot=21.59 Rg=31.344 SPS=1570
bl=2439 pos[1]=[0.1 -5.9 -26.7] dr=2.02 t=25390.0ps kin=1.49 pot=21.52 Rg=31.353 SPS=1600
bl=2440 pos[1]=[-1.3 -3.0 -27.3] dr=2.01 t=25400.0ps kin=1.49 pot=21.52 Rg=31.414 SPS=1592
bl=2441 pos[1]=[-1.7 -5.5 -27.5] dr=1.93 t=25410.0ps kin=1.47 pot=21.51 Rg=31.440 SPS=1573
bl=2442 pos[1]=[1.4 -6.8 -27.9] dr=1.91 t=25420.0ps kin=1.47 pot=21.50 Rg=31.391 SPS=1603
bl=2443 pos[1]=[3.8 -5.8 -29.6] dr=1.95 t=25430.0ps kin=1.48 pot=21.43 Rg=31.335 SPS=1617
bl=2444 pos[1]=[3.2 -6.8 -33.9] dr=1.88 t=25440.0ps kin=1.42 pot=21.53 Rg=31.284 SPS=1585
bl=2445 pos[1]=[1.2 -8.0 -35.3] dr=1.90 t=25450.0ps kin=1.48 pot=21.52 Rg=31.307 SPS=1607
bl=2446 pos[1]=[0.7 -7.4 -35.9] dr=1.97 t=25460.0ps kin=1.49 pot=21.50 Rg=31.262 SPS=1609
bl=2447 pos[1]=[2.1 -4.4 -38.2] dr=1.88 t=25470.0ps kin=1.49 pot=21.53 Rg=31.271 SPS=1639
bl=2448 pos[1]=[2.1 -3.7 -38.4] dr=1.89 t=25480.0ps kin=1.50 pot=21.51 Rg=31.320 SPS=1597
bl=2449 pos[1]=[3.5 -6.3 -37.5] dr=1.95 t=25490.0ps kin=1.54 pot=21.51 Rg=31.328 SPS=1601
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [7.06237917 3.50346986 0.1318038 ] Rg = 31.328188
median bond size is 0.9678714501692743
three shortest/longest (<10)/ bonds are [0.89111091 0.8928025 0.89362026] [1.09218747 1.0966917 1.11048773]
95 percentile of distance to center is: 50.67359415285893
density of closest 95% monomers is: 0.002363467088357717
density of the core monomers is: 0.005485360295189631
min/median/mean/max coordinates are:
x: -31.54, 6.97, 7.06, 46.59
y: -46.66, 8.98, 3.50, 38.20
z: -37.45, 2.81, 0.13, 26.37
Statistics for velocities:
mean kinetic energy is: 1.536813339109603 should be: 1.5
fastest particles are (in kT): [6.93818874 7.03672886 7.25265469 7.25759912 8.08987621]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51404924870944
bl=2450 pos[1]=[4.0 -6.4 -33.4] dr=1.97 t=25500.0ps kin=1.55 pot=21.52 Rg=31.339 SPS=1599
bl=2451 pos[1]=[4.6 -6.0 -31.9] dr=1.94 t=25510.0ps kin=1.51 pot=21.55 Rg=31.455 SPS=1598
bl=2452 pos[1]=[6.3 -4.4 -33.3] dr=1.95 t=25520.0ps kin=1.51 pot=21.52 Rg=31.518 SPS=1612
bl=2453 pos[1]=[6.5 -0.0 -33.2] dr=1.93 t=25530.0ps kin=1.52 pot=21.54 Rg=31.558 SPS=1611
bl=2454 pos[1]=[4.1 -0.3 -32.8] dr=1.87 t=25540.0ps kin=1.50 pot=21.53 Rg=31.571 SPS=1566
bl=2455 pos[1]=[4.5 -1.7 -32.1] dr=1.90 t=25550.0ps kin=1.55 pot=21.51 Rg=31.567 SPS=1622
bl=2456 pos[1]=[4.6 -5.2 -32.8] dr=1.98 t=25560.0ps kin=1.48 pot=21.51 Rg=31.524 SPS=1610
bl=2457 pos[1]=[1.8 -6.1 -33.1] dr=1.99 t=25570.0ps kin=1.50 pot=21.54 Rg=31.433 SPS=1599
bl=2458 pos[1]=[1.8 -4.8 -36.6] dr=2.03 t=25580.0ps kin=1.50 pot=21.48 Rg=31.303 SPS=1601
bl=2459 pos[1]=[2.7 -3.1 -37.9] dr=1.91 t=25590.0ps kin=1.48 pot=21.52 Rg=31.212 SPS=1562
bl=2460 pos[1]=[2.2 -3.6 -37.7] dr=1.90 t=25600.0ps kin=1.52 pot=21.51 Rg=31.182 SPS=1546
bl=2461 pos[1]=[3.3 -6.5 -38.4] dr=1.91 t=25610.0ps kin=1.48 pot=21.54 Rg=31.192 SPS=1582
bl=2462 pos[1]=[3.7 -5.5 -38.1] dr=1.92 t=25620.0ps kin=1.50 pot=21.52 Rg=31.191 SPS=1566
bl=2463 pos[1]=[1.0 -5.7 -41.2] dr=1.94 t=25630.0ps kin=1.51 pot=21.53 Rg=31.121 SPS=1587
bl=2464 pos[1]=[-0.9 -6.0 -42.4] dr=1.96 t=25640.0ps kin=1.47 pot=21.56 Rg=31.100 SPS=1549
bl=2465 pos[1]=[-0.6 -4.4 -42.4] dr=1.96 t=25650.0ps kin=1.46 pot=21.54 Rg=31.186 SPS=1625
bl=2466 pos[1]=[0.0 -4.0 -40.4] dr=1.97 t=25660.0ps kin=1.55 pot=21.51 Rg=31.240 SPS=1583
bl=2467 pos[1]=[-0.4 -1.6 -40.9] dr=1.88 t=25670.0ps kin=1.49 pot=21.56 Rg=31.189 SPS=1581
bl=2468 pos[1]=[-3.0 0.9 -39.1] dr=1.91 t=25680.0ps kin=1.46 pot=21.53 Rg=31.126 SPS=1570
bl=2469 pos[1]=[-6.0 -1.2 -39.1] dr=1.88 t=25690.0ps kin=1.53 pot=21.50 Rg=31.151 SPS=1605
bl=2470 pos[1]=[-6.4 -2.3 -40.7] dr=1.91 t=25700.0ps kin=1.43 pot=21.52 Rg=31.202 SPS=1590
bl=2471 pos[1]=[-5.2 -7.1 -42.3] dr=1.92 t=25710.0ps kin=1.46 pot=21.53 Rg=31.199 SPS=1596
bl=2472 pos[1]=[-0.3 -6.9 -42.7] dr=1.93 t=25720.0ps kin=1.53 pot=21.49 Rg=31.197 SPS=1590
bl=2473 pos[1]=[-0.6 -5.8 -38.3] dr=1.96 t=25730.0ps kin=1.50 pot=21.52 Rg=31.238 SPS=1613
bl=2474 pos[1]=[-2.4 -4.2 -37.0] dr=1.91 t=25740.0ps kin=1.51 pot=21.53 Rg=31.208 SPS=1586
bl=2475 pos[1]=[-1.5 -5.4 -36.8] dr=1.90 t=25750.0ps kin=1.49 pot=21.49 Rg=31.165 SPS=1591
bl=2476 pos[1]=[-0.7 -0.3 -37.2] dr=1.96 t=25760.0ps kin=1.52 pot=21.52 Rg=31.179 SPS=1595
bl=2477 pos[1]=[1.2 2.2 -39.8] dr=1.95 t=25770.0ps kin=1.46 pot=21.54 Rg=31.228 SPS=1600
bl=2478 pos[1]=[1.8 1.0 -43.6] dr=1.92 t=25780.0ps kin=1.50 pot=21.50 Rg=31.241 SPS=1589
bl=2479 pos[1]=[1.8 -0.2 -43.7] dr=1.95 t=25790.0ps kin=1.48 pot=21.49 Rg=31.253 SPS=1592
bl=2480 pos[1]=[1.2 -1.2 -44.8] dr=1.92 t=25800.0ps kin=1.52 pot=21.49 Rg=31.235 SPS=1590
bl=2481 pos[1]=[0.5 -1.6 -46.1] dr=1.95 t=25810.0ps kin=1.54 pot=21.52 Rg=31.176 SPS=1593
bl=2482 pos[1]=[1.2 -5.8 -43.2] dr=1.90 t=25820.0ps kin=1.50 pot=21.51 Rg=31.035 SPS=1606
bl=2483 pos[1]=[1.3 -6.2 -43.2] dr=1.83 t=25830.0ps kin=1.50 pot=21.55 Rg=31.052 SPS=1565
bl=2484 pos[1]=[-1.1 -4.2 -42.9] dr=1.94 t=25840.0ps kin=1.45 pot=21.56 Rg=31.037 SPS=1594
bl=2485 pos[1]=[-3.6 -6.3 -40.5] dr=1.87 t=25850.0ps kin=1.54 pot=21.51 Rg=31.067 SPS=1584
bl=2486 pos[1]=[-1.2 -8.2 -37.2] dr=1.89 t=25860.0ps kin=1.48 pot=21.52 Rg=30.991 SPS=1592
bl=2487 pos[1]=[1.5 -8.1 -39.6] dr=1.88 t=25870.0ps kin=1.49 pot=21.49 Rg=30.778 SPS=1597
bl=2488 pos[1]=[0.7 -5.9 -41.3] dr=1.86 t=25880.0ps kin=1.52 pot=21.50 Rg=30.652 SPS=1589
bl=2489 pos[1]=[2.3 -3.6 -41.8] dr=1.93 t=25890.0ps kin=1.58 pot=21.52 Rg=30.609 SPS=1596
bl=2490 pos[1]=[1.8 -4.2 -41.8] dr=1.89 t=25900.0ps kin=1.47 pot=21.54 Rg=30.605 SPS=1609
bl=2491 pos[1]=[1.4 -3.2 -39.1] dr=1.87 t=25910.0ps kin=1.48 pot=21.53 Rg=30.539 SPS=1587
bl=2492 pos[1]=[3.7 -3.4 -36.7] dr=1.93 t=25920.0ps kin=1.53 pot=21.51 Rg=30.373 SPS=1577
bl=2493 pos[1]=[4.4 -2.6 -36.2] dr=1.88 t=25930.0ps kin=1.50 pot=21.54 Rg=30.423 SPS=1641
bl=2494 pos[1]=[4.7 -1.8 -36.1] dr=1.97 t=25940.0ps kin=1.51 pot=21.52 Rg=30.480 SPS=1612
bl=2495 pos[1]=[6.7 -0.9 -35.7] dr=1.93 t=25950.0ps kin=1.51 pot=21.51 Rg=30.402 SPS=1583
bl=2496 pos[1]=[6.8 -0.5 -37.4] dr=1.98 t=25960.0ps kin=1.50 pot=21.53 Rg=30.367 SPS=1597
bl=2497 pos[1]=[4.9 -1.7 -37.6] dr=1.94 t=25970.0ps kin=1.54 pot=21.51 Rg=30.326 SPS=1599
bl=2498 pos[1]=[4.0 -1.7 -38.7] dr=1.95 t=25980.0ps kin=1.49 pot=21.55 Rg=30.331 SPS=1539
bl=2499 pos[1]=[2.9 -2.6 -37.3] dr=1.91 t=25990.0ps kin=1.48 pot=21.53 Rg=30.337 SPS=1575
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [7.65877752 3.58368142 0.48651003] Rg = 30.33716
median bond size is 0.9654988074453346
three shortest/longest (<10)/ bonds are [0.87779236 0.88100989 0.88828382] [1.08500421 1.12120443 1.13037739]
95 percentile of distance to center is: 48.791145474601606
density of closest 95% monomers is: 0.0026477174817047095
density of the core monomers is: 0.003787709063737508
min/median/mean/max coordinates are:
x: -21.79, 6.86, 7.66, 47.10
y: -41.74, 9.71, 3.58, 38.55
z: -37.31, 3.03, 0.49, 23.66
Statistics for velocities:
mean kinetic energy is: 1.4856854176104537 should be: 1.5
fastest particles are (in kT): [6.15920576 6.26577966 6.32228744 7.07717576 7.33210094]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.527362474649706
bl=2500 pos[1]=[3.8 -1.6 -37.4] dr=1.94 t=26000.0ps kin=1.50 pot=21.54 Rg=30.356 SPS=1569
bl=2501 pos[1]=[7.4 -1.4 -38.0] dr=1.92 t=26010.0ps kin=1.52 pot=21.53 Rg=30.344 SPS=1581
bl=2502 pos[1]=[11.3 -1.0 -36.6] dr=1.96 t=26020.0ps kin=1.49 pot=21.49 Rg=30.322 SPS=1590
bl=2503 pos[1]=[11.0 -5.7 -34.7] dr=1.97 t=26030.0ps kin=1.51 pot=21.51 Rg=30.332 SPS=1595
bl=2504 pos[1]=[9.6 -8.9 -34.0] dr=1.95 t=26040.0ps kin=1.48 pot=21.52 Rg=30.365 SPS=1600
bl=2505 pos[1]=[9.2 -10.8 -33.6] dr=2.03 t=26050.0ps kin=1.54 pot=21.54 Rg=30.388 SPS=1519
bl=2506 pos[1]=[7.3 -10.5 -37.0] dr=1.94 t=26060.0ps kin=1.43 pot=21.50 Rg=30.421 SPS=1600
bl=2507 pos[1]=[6.1 -11.2 -36.5] dr=1.76 t=26070.0ps kin=1.46 pot=21.51 Rg=30.425 SPS=1575
bl=2508 pos[1]=[5.8 -9.9 -35.2] dr=1.89 t=26080.0ps kin=1.50 pot=21.49 Rg=30.459 SPS=1595
bl=2509 pos[1]=[6.5 -8.5 -35.3] dr=1.98 t=26090.0ps kin=1.54 pot=21.51 Rg=30.550 SPS=1585
bl=2510 pos[1]=[6.5 -10.2 -34.5] dr=1.93 t=26100.0ps kin=1.49 pot=21.55 Rg=30.687 SPS=1616
bl=2511 pos[1]=[7.3 -9.6 -34.0] dr=1.90 t=26110.0ps kin=1.47 pot=21.53 Rg=30.807 SPS=1656
bl=2512 pos[1]=[6.6 -6.1 -36.8] dr=1.85 t=26120.0ps kin=1.50 pot=21.50 Rg=30.842 SPS=1609
bl=2513 pos[1]=[7.1 -7.1 -38.1] dr=1.92 t=26130.0ps kin=1.54 pot=21.50 Rg=30.985 SPS=1589
bl=2514 pos[1]=[5.1 -9.0 -37.5] dr=1.93 t=26140.0ps kin=1.52 pot=21.49 Rg=31.040 SPS=1595
bl=2515 pos[1]=[2.4 -8.9 -38.9] dr=1.99 t=26150.0ps kin=1.46 pot=21.48 Rg=31.117 SPS=1613
bl=2516 pos[1]=[-0.3 -6.7 -38.4] dr=1.88 t=26160.0ps kin=1.48 pot=21.53 Rg=31.138 SPS=1594
bl=2517 pos[1]=[0.8 -8.7 -39.1] dr=1.92 t=26170.0ps kin=1.46 pot=21.48 Rg=31.200 SPS=1574
bl=2518 pos[1]=[0.0 -10.3 -38.6] dr=1.94 t=26180.0ps kin=1.50 pot=21.48 Rg=31.198 SPS=1603
bl=2519 pos[1]=[2.0 -9.8 -36.9] dr=1.92 t=26190.0ps kin=1.46 pot=21.50 Rg=31.185 SPS=1582
bl=2520 pos[1]=[2.8 -9.0 -36.3] dr=1.88 t=26200.0ps kin=1.50 pot=21.50 Rg=31.062 SPS=1603
bl=2521 pos[1]=[0.7 -9.2 -37.4] dr=1.94 t=26210.0ps kin=1.51 pot=21.47 Rg=31.029 SPS=1620
bl=2522 pos[1]=[-0.9 -6.4 -37.2] dr=1.94 t=26220.0ps kin=1.48 pot=21.54 Rg=31.082 SPS=1609
bl=2523 pos[1]=[0.0 -8.0 -36.4] dr=1.93 t=26230.0ps kin=1.51 pot=21.46 Rg=31.081 SPS=1614
bl=2524 pos[1]=[1.9 -8.1 -37.1] dr=1.95 t=26240.0ps kin=1.53 pot=21.54 Rg=31.163 SPS=1588
bl=2525 pos[1]=[3.5 -8.2 -36.9] dr=1.92 t=26250.0ps kin=1.44 pot=21.50 Rg=31.283 SPS=1399
bl=2526 pos[1]=[6.0 -7.1 -35.0] dr=1.91 t=26260.0ps kin=1.48 pot=21.51 Rg=31.378 SPS=1637
bl=2527 pos[1]=[6.5 -8.7 -33.9] dr=1.87 t=26270.0ps kin=1.52 pot=21.49 Rg=31.443 SPS=1599
bl=2528 pos[1]=[6.0 -11.1 -35.6] dr=1.88 t=26280.0ps kin=1.48 pot=21.50 Rg=31.442 SPS=1576
bl=2529 pos[1]=[6.1 -12.2 -36.0] dr=1.85 t=26290.0ps kin=1.46 pot=21.52 Rg=31.479 SPS=1584
bl=2530 pos[1]=[7.3 -10.4 -35.3] dr=1.94 t=26300.0ps kin=1.48 pot=21.50 Rg=31.401 SPS=1557
bl=2531 pos[1]=[5.7 -11.8 -34.9] dr=1.91 t=26310.0ps kin=1.53 pot=21.51 Rg=31.267 SPS=1576
bl=2532 pos[1]=[3.6 -9.6 -34.5] dr=1.96 t=26320.0ps kin=1.53 pot=21.51 Rg=31.177 SPS=1598
bl=2533 pos[1]=[2.6 -8.3 -33.4] dr=1.94 t=26330.0ps kin=1.52 pot=21.52 Rg=31.110 SPS=1603
bl=2534 pos[1]=[2.1 -8.8 -34.9] dr=1.89 t=26340.0ps kin=1.49 pot=21.57 Rg=31.027 SPS=1603
bl=2535 pos[1]=[0.8 -7.9 -38.3] dr=1.96 t=26350.0ps kin=1.51 pot=21.53 Rg=30.956 SPS=1609
bl=2536 pos[1]=[-0.0 -12.4 -40.1] dr=1.87 t=26360.0ps kin=1.52 pot=21.53 Rg=30.980 SPS=1611
bl=2537 pos[1]=[2.6 -14.0 -37.9] dr=1.94 t=26370.0ps kin=1.51 pot=21.50 Rg=30.992 SPS=1577
bl=2538 pos[1]=[4.5 -13.0 -36.0] dr=1.89 t=26380.0ps kin=1.48 pot=21.51 Rg=31.043 SPS=1594
bl=2539 pos[1]=[6.2 -10.2 -32.4] dr=1.93 t=26390.0ps kin=1.47 pot=21.50 Rg=30.966 SPS=1616
bl=2540 pos[1]=[6.8 -10.1 -32.3] dr=1.92 t=26400.0ps kin=1.44 pot=21.51 Rg=30.899 SPS=1613
bl=2541 pos[1]=[7.9 -11.6 -31.0] dr=1.94 t=26410.0ps kin=1.54 pot=21.56 Rg=30.902 SPS=1608
bl=2542 pos[1]=[6.8 -12.4 -30.6] dr=1.92 t=26420.0ps kin=1.52 pot=21.56 Rg=30.908 SPS=1630
bl=2543 pos[1]=[6.1 -12.3 -29.9] dr=1.94 t=26430.0ps kin=1.56 pot=21.52 Rg=30.845 SPS=1627
bl=2544 pos[1]=[4.3 -9.9 -25.6] dr=1.94 t=26440.0ps kin=1.48 pot=21.52 Rg=30.797 SPS=1627
bl=2545 pos[1]=[3.3 -6.3 -25.1] dr=1.87 t=26450.0ps kin=1.48 pot=21.49 Rg=30.777 SPS=1624
bl=2546 pos[1]=[3.1 -6.0 -28.4] dr=1.96 t=26460.0ps kin=1.50 pot=21.54 Rg=30.807 SPS=1597
bl=2547 pos[1]=[4.4 -8.2 -29.6] dr=1.87 t=26470.0ps kin=1.46 pot=21.44 Rg=30.816 SPS=1615
bl=2548 pos[1]=[5.8 -8.2 -30.1] dr=1.94 t=26480.0ps kin=1.47 pot=21.50 Rg=30.960 SPS=1597
bl=2549 pos[1]=[4.7 -9.9 -31.7] dr=1.97 t=26490.0ps kin=1.48 pot=21.49 Rg=31.081 SPS=1608
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.77217643 3.96825014 -0.55094237] Rg = 31.080858
median bond size is 0.9689322703715585
three shortest/longest (<10)/ bonds are [0.87199635 0.87772809 0.8842476 ] [1.06648276 1.06836939 1.08603908]
95 percentile of distance to center is: 48.43756088342465
density of closest 95% monomers is: 0.002706125217262867
density of the core monomers is: 0.00415514403182709
min/median/mean/max coordinates are:
x: -22.53, 8.06, 9.77, 49.86
y: -38.22, 8.04, 3.97, 41.14
z: -33.22, 1.64, -0.55, 24.58
Statistics for velocities:
mean kinetic energy is: 1.4805937320761409 should be: 1.5
fastest particles are (in kT): [7.16177109 7.34602494 7.5377538 7.83562954 8.38013367]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.492438122234514
bl=2550 pos[1]=[5.8 -8.8 -30.0] dr=1.86 t=26500.0ps kin=1.51 pot=21.50 Rg=31.109 SPS=1620
bl=2551 pos[1]=[4.7 -9.8 -31.6] dr=1.85 t=26510.0ps kin=1.49 pot=21.50 Rg=31.089 SPS=1599
bl=2552 pos[1]=[5.9 -9.7 -33.1] dr=1.95 t=26520.0ps kin=1.47 pot=21.51 Rg=31.098 SPS=1623
bl=2553 pos[1]=[5.0 -11.0 -33.7] dr=1.99 t=26530.0ps kin=1.51 pot=21.52 Rg=31.178 SPS=1525
bl=2554 pos[1]=[4.7 -11.3 -34.0] dr=1.90 t=26540.0ps kin=1.47 pot=21.53 Rg=31.332 SPS=1599
bl=2555 pos[1]=[5.0 -7.5 -32.9] dr=1.86 t=26550.0ps kin=1.54 pot=21.50 Rg=31.368 SPS=1618
bl=2556 pos[1]=[4.9 -9.8 -33.4] dr=2.03 t=26560.0ps kin=1.48 pot=21.55 Rg=31.399 SPS=1641
bl=2557 pos[1]=[4.0 -8.5 -33.5] dr=1.96 t=26570.0ps kin=1.53 pot=21.51 Rg=31.492 SPS=1694
bl=2558 pos[1]=[6.6 -11.4 -33.8] dr=1.97 t=26580.0ps kin=1.51 pot=21.48 Rg=31.498 SPS=1632
bl=2559 pos[1]=[9.3 -11.4 -31.2] dr=1.92 t=26590.0ps kin=1.52 pot=21.48 Rg=31.411 SPS=1637
bl=2560 pos[1]=[10.8 -12.2 -30.9] dr=1.95 t=26600.0ps kin=1.47 pot=21.48 Rg=31.364 SPS=1625
bl=2561 pos[1]=[11.0 -14.1 -32.8] dr=1.88 t=26610.0ps kin=1.44 pot=21.54 Rg=31.375 SPS=1592
bl=2562 pos[1]=[12.2 -13.4 -32.4] dr=1.94 t=26620.0ps kin=1.46 pot=21.51 Rg=31.497 SPS=1596
bl=2563 pos[1]=[13.0 -15.3 -33.2] dr=1.87 t=26630.0ps kin=1.45 pot=21.50 Rg=31.627 SPS=1595
bl=2564 pos[1]=[14.9 -14.5 -35.1] dr=1.85 t=26640.0ps kin=1.47 pot=21.55 Rg=31.641 SPS=1626
bl=2565 pos[1]=[14.5 -14.4 -33.9] dr=1.95 t=26650.0ps kin=1.48 pot=21.50 Rg=31.662 SPS=1636
bl=2566 pos[1]=[15.8 -15.7 -35.4] dr=1.96 t=26660.0ps kin=1.49 pot=21.50 Rg=31.706 SPS=1632
bl=2567 pos[1]=[15.9 -14.4 -33.1] dr=1.88 t=26670.0ps kin=1.53 pot=21.47 Rg=31.733 SPS=1615
bl=2568 pos[1]=[13.9 -12.0 -31.6] dr=1.98 t=26680.0ps kin=1.47 pot=21.51 Rg=31.713 SPS=1622
bl=2569 pos[1]=[12.1 -12.1 -32.5] dr=1.92 t=26690.0ps kin=1.45 pot=21.52 Rg=31.698 SPS=1639
bl=2570 pos[1]=[12.6 -13.5 -34.9] dr=1.95 t=26700.0ps kin=1.49 pot=21.53 Rg=31.780 SPS=1633
bl=2571 pos[1]=[14.2 -11.7 -35.8] dr=1.95 t=26710.0ps kin=1.52 pot=21.53 Rg=31.867 SPS=1595
bl=2572 pos[1]=[10.9 -13.1 -37.7] dr=1.92 t=26720.0ps kin=1.50 pot=21.55 Rg=31.934 SPS=1599
bl=2573 pos[1]=[11.9 -11.3 -35.6] dr=1.89 t=26730.0ps kin=1.52 pot=21.53 Rg=31.883 SPS=1604
bl=2574 pos[1]=[8.5 -10.0 -33.0] dr=1.98 t=26740.0ps kin=1.58 pot=21.52 Rg=31.842 SPS=1624
bl=2575 pos[1]=[7.7 -10.0 -31.3] dr=2.02 t=26750.0ps kin=1.58 pot=21.51 Rg=31.799 SPS=1617
bl=2576 pos[1]=[8.4 -9.6 -32.4] dr=1.97 t=26760.0ps kin=1.47 pot=21.54 Rg=31.730 SPS=1586
bl=2577 pos[1]=[8.0 -9.3 -34.9] dr=1.93 t=26770.0ps kin=1.51 pot=21.54 Rg=31.731 SPS=1625
bl=2578 pos[1]=[8.8 -8.1 -32.6] dr=1.92 t=26780.0ps kin=1.58 pot=21.53 Rg=31.705 SPS=1629
bl=2579 pos[1]=[10.4 -7.4 -34.4] dr=1.99 t=26790.0ps kin=1.55 pot=21.55 Rg=31.574 SPS=1613
bl=2580 pos[1]=[9.7 -3.0 -34.1] dr=1.95 t=26800.0ps kin=1.53 pot=21.53 Rg=31.652 SPS=1616
bl=2581 pos[1]=[8.9 -3.6 -36.5] dr=1.96 t=26810.0ps kin=1.48 pot=21.51 Rg=31.794 SPS=1609
bl=2582 pos[1]=[10.3 -3.4 -36.1] dr=1.91 t=26820.0ps kin=1.57 pot=21.52 Rg=31.885 SPS=1616
bl=2583 pos[1]=[12.3 -6.2 -37.4] dr=1.96 t=26830.0ps kin=1.54 pot=21.50 Rg=32.003 SPS=1577
bl=2584 pos[1]=[9.2 -6.4 -33.6] dr=1.93 t=26840.0ps kin=1.39 pot=21.54 Rg=31.910 SPS=1627
bl=2585 pos[1]=[11.3 -4.2 -35.3] dr=1.87 t=26850.0ps kin=1.42 pot=21.51 Rg=31.901 SPS=1606
bl=2586 pos[1]=[12.6 -4.9 -36.6] dr=1.90 t=26860.0ps kin=1.57 pot=21.51 Rg=31.991 SPS=1641
bl=2587 pos[1]=[12.1 -6.5 -35.4] dr=1.91 t=26870.0ps kin=1.53 pot=21.53 Rg=31.923 SPS=1641
bl=2588 pos[1]=[11.2 -4.5 -35.7] dr=1.97 t=26880.0ps kin=1.54 pot=21.51 Rg=31.883 SPS=1629
bl=2589 pos[1]=[11.1 -0.1 -36.2] dr=1.92 t=26890.0ps kin=1.47 pot=21.51 Rg=31.930 SPS=1630
bl=2590 pos[1]=[11.3 0.2 -37.7] dr=1.95 t=26900.0ps kin=1.52 pot=21.51 Rg=31.916 SPS=1633
bl=2591 pos[1]=[10.4 -0.2 -36.9] dr=1.86 t=26910.0ps kin=1.46 pot=21.51 Rg=31.909 SPS=1591
bl=2592 pos[1]=[15.2 1.4 -34.4] dr=1.90 t=26920.0ps kin=1.52 pot=21.47 Rg=31.948 SPS=1617
bl=2593 pos[1]=[13.0 0.0 -33.5] dr=1.94 t=26930.0ps kin=1.50 pot=21.53 Rg=31.967 SPS=1606
bl=2594 pos[1]=[11.6 -2.4 -34.6] dr=1.96 t=26940.0ps kin=1.50 pot=21.50 Rg=32.022 SPS=1593
bl=2595 pos[1]=[10.4 -4.5 -35.5] dr=1.93 t=26950.0ps kin=1.46 pot=21.51 Rg=32.197 SPS=1615
bl=2596 pos[1]=[9.8 -4.3 -37.5] dr=1.86 t=26960.0ps kin=1.45 pot=21.53 Rg=32.273 SPS=1628
bl=2597 pos[1]=[7.8 -7.7 -38.8] dr=1.94 t=26970.0ps kin=1.53 pot=21.52 Rg=32.259 SPS=1608
bl=2598 pos[1]=[6.4 -7.8 -37.3] dr=1.92 t=26980.0ps kin=1.46 pot=21.54 Rg=32.219 SPS=1596
bl=2599 pos[1]=[7.3 -13.0 -36.0] dr=1.95 t=26990.0ps kin=1.50 pot=21.56 Rg=32.173 SPS=1605
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.67059011 3.29227778 -0.03490765] Rg = 32.17258
median bond size is 0.9687927155435958
three shortest/longest (<10)/ bonds are [0.87482641 0.8943376 0.89876376] [1.08583389 1.08715408 1.14337825]
95 percentile of distance to center is: 49.96414666031763
density of closest 95% monomers is: 0.002465580928540937
density of the core monomers is: 0.007132124973245828
min/median/mean/max coordinates are:
x: -30.22, 8.18, 8.67, 50.53
y: -37.16, 5.07, 3.29, 41.73
z: -36.30, 2.18, -0.03, 27.97
Statistics for velocities:
mean kinetic energy is: 1.5001609316819102 should be: 1.5
fastest particles are (in kT): [7.09932613 7.25655939 7.3493127 7.61026824 7.81063205]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.55554883388643
bl=2600 pos[1]=[9.7 -12.5 -37.6] dr=2.05 t=27000.0ps kin=1.54 pot=21.53 Rg=32.146 SPS=1611
bl=2601 pos[1]=[11.2 -12.7 -36.0] dr=1.89 t=27010.0ps kin=1.57 pot=21.48 Rg=32.125 SPS=1593
bl=2602 pos[1]=[12.0 -13.0 -34.1] dr=1.92 t=27020.0ps kin=1.52 pot=21.53 Rg=32.171 SPS=1603
bl=2603 pos[1]=[14.2 -11.5 -34.1] dr=1.94 t=27030.0ps kin=1.55 pot=21.54 Rg=32.195 SPS=1611
bl=2604 pos[1]=[15.8 -9.9 -33.7] dr=1.96 t=27040.0ps kin=1.53 pot=21.49 Rg=32.235 SPS=1674
bl=2605 pos[1]=[16.6 -9.3 -34.2] dr=1.92 t=27050.0ps kin=1.51 pot=21.50 Rg=32.293 SPS=1650
bl=2606 pos[1]=[16.6 -6.1 -34.9] dr=1.95 t=27060.0ps kin=1.50 pot=21.49 Rg=32.292 SPS=1523
bl=2607 pos[1]=[16.3 -7.9 -32.8] dr=1.92 t=27070.0ps kin=1.55 pot=21.49 Rg=32.393 SPS=1581
bl=2608 pos[1]=[16.9 -6.7 -29.5] dr=1.92 t=27080.0ps kin=1.53 pot=21.49 Rg=32.419 SPS=1614
bl=2609 pos[1]=[18.5 -5.6 -27.9] dr=1.98 t=27090.0ps kin=1.53 pot=21.50 Rg=32.459 SPS=1597
bl=2610 pos[1]=[17.8 -3.9 -26.7] dr=1.97 t=27100.0ps kin=1.44 pot=21.46 Rg=32.506 SPS=1622
bl=2611 pos[1]=[14.3 -4.7 -25.0] dr=1.91 t=27110.0ps kin=1.49 pot=21.49 Rg=32.483 SPS=1610
bl=2612 pos[1]=[13.6 -6.6 -26.6] dr=1.94 t=27120.0ps kin=1.49 pot=21.52 Rg=32.542 SPS=1591
bl=2613 pos[1]=[12.5 -4.9 -26.1] dr=1.89 t=27130.0ps kin=1.49 pot=21.45 Rg=32.595 SPS=1612
bl=2614 pos[1]=[14.9 -6.5 -24.9] dr=1.93 t=27140.0ps kin=1.46 pot=21.51 Rg=32.665 SPS=1621
bl=2615 pos[1]=[14.3 -3.9 -26.3] dr=1.90 t=27150.0ps kin=1.53 pot=21.50 Rg=32.638 SPS=1534
bl=2616 pos[1]=[14.9 -3.5 -26.3] dr=1.95 t=27160.0ps kin=1.49 pot=21.54 Rg=32.623 SPS=1589
bl=2617 pos[1]=[16.0 -1.5 -28.1] dr=1.97 t=27170.0ps kin=1.54 pot=21.50 Rg=32.663 SPS=1419
bl=2618 pos[1]=[16.4 -2.7 -29.5] dr=1.91 t=27180.0ps kin=1.52 pot=21.56 Rg=32.668 SPS=1632
bl=2619 pos[1]=[15.6 -0.8 -25.8] dr=1.96 t=27190.0ps kin=1.54 pot=21.46 Rg=32.768 SPS=1628
bl=2620 pos[1]=[14.8 -2.5 -25.3] dr=1.96 t=27200.0ps kin=1.45 pot=21.51 Rg=32.850 SPS=1601
bl=2621 pos[1]=[14.9 -2.3 -28.2] dr=1.95 t=27210.0ps kin=1.50 pot=21.49 Rg=32.989 SPS=1596
bl=2622 pos[1]=[15.3 -2.5 -26.7] dr=1.96 t=27220.0ps kin=1.54 pot=21.46 Rg=33.113 SPS=1578
bl=2623 pos[1]=[15.5 -3.6 -23.0] dr=1.94 t=27230.0ps kin=1.49 pot=21.51 Rg=33.099 SPS=1596
bl=2624 pos[1]=[14.7 -3.2 -23.8] dr=1.92 t=27240.0ps kin=1.46 pot=21.46 Rg=33.117 SPS=1631
bl=2625 pos[1]=[13.3 -1.4 -23.5] dr=1.89 t=27250.0ps kin=1.53 pot=21.50 Rg=33.199 SPS=1589
bl=2626 pos[1]=[13.5 -0.0 -26.0] dr=1.96 t=27260.0ps kin=1.51 pot=21.50 Rg=33.381 SPS=1587
bl=2627 pos[1]=[14.7 0.4 -24.8] dr=1.87 t=27270.0ps kin=1.50 pot=21.50 Rg=33.469 SPS=1599
bl=2628 pos[1]=[13.2 -0.6 -24.3] dr=1.94 t=27280.0ps kin=1.52 pot=21.50 Rg=33.432 SPS=1603
bl=2629 pos[1]=[11.7 -5.0 -23.9] dr=1.93 t=27290.0ps kin=1.46 pot=21.49 Rg=33.414 SPS=1594
bl=2630 pos[1]=[9.9 -4.8 -22.0] dr=1.89 t=27300.0ps kin=1.49 pot=21.56 Rg=33.352 SPS=1591
bl=2631 pos[1]=[9.5 -2.7 -23.9] dr=1.85 t=27310.0ps kin=1.48 pot=21.54 Rg=33.334 SPS=1577
bl=2632 pos[1]=[9.8 -1.6 -26.0] dr=1.85 t=27320.0ps kin=1.46 pot=21.51 Rg=33.422 SPS=1545
bl=2633 pos[1]=[10.4 -2.6 -27.7] dr=1.90 t=27330.0ps kin=1.54 pot=21.52 Rg=33.511 SPS=1604
bl=2634 pos[1]=[12.6 -1.6 -25.9] dr=1.96 t=27340.0ps kin=1.53 pot=21.47 Rg=33.605 SPS=1600
bl=2635 pos[1]=[12.7 -3.4 -24.1] dr=1.94 t=27350.0ps kin=1.48 pot=21.49 Rg=33.730 SPS=1618
bl=2636 pos[1]=[15.7 -1.4 -25.7] dr=1.95 t=27360.0ps kin=1.50 pot=21.50 Rg=33.810 SPS=1627
bl=2637 pos[1]=[14.9 -1.8 -26.4] dr=1.86 t=27370.0ps kin=1.44 pot=21.51 Rg=33.852 SPS=1613
bl=2638 pos[1]=[15.6 -4.0 -28.2] dr=1.87 t=27380.0ps kin=1.46 pot=21.52 Rg=33.828 SPS=1610
bl=2639 pos[1]=[16.0 -4.4 -27.3] dr=1.89 t=27390.0ps kin=1.49 pot=21.54 Rg=33.826 SPS=1601
bl=2640 pos[1]=[16.0 -3.1 -28.6] dr=1.88 t=27400.0ps kin=1.49 pot=21.50 Rg=33.825 SPS=1563
bl=2641 pos[1]=[20.1 -1.4 -29.7] dr=1.96 t=27410.0ps kin=1.52 pot=21.45 Rg=33.794 SPS=1598
bl=2642 pos[1]=[19.9 0.6 -33.1] dr=1.95 t=27420.0ps kin=1.51 pot=21.50 Rg=33.888 SPS=1597
bl=2643 pos[1]=[19.3 -0.9 -34.1] dr=1.85 t=27430.0ps kin=1.47 pot=21.51 Rg=33.925 SPS=1579
bl=2644 pos[1]=[20.6 -0.5 -34.8] dr=1.91 t=27440.0ps kin=1.50 pot=21.50 Rg=33.819 SPS=1595
bl=2645 pos[1]=[20.5 -1.7 -34.8] dr=2.02 t=27450.0ps kin=1.58 pot=21.51 Rg=33.735 SPS=1598
bl=2646 pos[1]=[20.6 -1.6 -35.6] dr=1.95 t=27460.0ps kin=1.52 pot=21.46 Rg=33.683 SPS=1595
bl=2647 pos[1]=[19.6 -1.3 -35.3] dr=1.92 t=27470.0ps kin=1.50 pot=21.50 Rg=33.693 SPS=1579
bl=2648 pos[1]=[18.3 -3.3 -34.8] dr=1.95 t=27480.0ps kin=1.51 pot=21.51 Rg=33.740 SPS=1583
bl=2649 pos[1]=[19.6 -1.1 -36.0] dr=1.96 t=27490.0ps kin=1.52 pot=21.53 Rg=33.889 SPS=1589
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.33237679 2.8312731 -0.21188859] Rg = 33.88894
median bond size is 0.9676517343516006
three shortest/longest (<10)/ bonds are [0.87664779 0.8826493 0.88535119] [1.11358322 1.11612223 1.11861141]
95 percentile of distance to center is: 52.25283496236683
density of closest 95% monomers is: 0.0021555847958277846
density of the core monomers is: 0.008027490053295748
min/median/mean/max coordinates are:
x: -27.28, 7.11, 8.33, 56.64
y: -41.50, 2.39, 2.83, 46.59
z: -36.14, 2.78, -0.21, 21.69
Statistics for velocities:
mean kinetic energy is: 1.5228648626024677 should be: 1.5
fastest particles are (in kT): [ 7.6775355 8.18953126 8.59080628 8.89159605 10.07139389]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.52508814988938
bl=2650 pos[1]=[19.8 -1.0 -35.4] dr=1.90 t=27500.0ps kin=1.52 pot=21.50 Rg=33.955 SPS=1637
bl=2651 pos[1]=[18.0 -0.0 -34.2] dr=1.94 t=27510.0ps kin=1.50 pot=21.50 Rg=34.037 SPS=1651
bl=2652 pos[1]=[15.4 0.3 -35.2] dr=1.90 t=27520.0ps kin=1.52 pot=21.50 Rg=34.150 SPS=1625
bl=2653 pos[1]=[13.5 1.9 -35.3] dr=1.92 t=27530.0ps kin=1.46 pot=21.49 Rg=34.284 SPS=1601
bl=2654 pos[1]=[13.4 3.6 -34.0] dr=1.93 t=27540.0ps kin=1.53 pot=21.44 Rg=34.316 SPS=1621
bl=2655 pos[1]=[14.9 4.8 -32.0] dr=1.89 t=27550.0ps kin=1.49 pot=21.47 Rg=34.319 SPS=1631
bl=2656 pos[1]=[18.7 6.7 -32.9] dr=1.88 t=27560.0ps kin=1.46 pot=21.50 Rg=34.269 SPS=1610
bl=2657 pos[1]=[18.8 6.2 -31.9] dr=1.94 t=27570.0ps kin=1.46 pot=21.50 Rg=34.261 SPS=1623
bl=2658 pos[1]=[16.6 9.2 -32.1] dr=1.92 t=27580.0ps kin=1.47 pot=21.54 Rg=34.306 SPS=1613
bl=2659 pos[1]=[14.2 10.6 -33.9] dr=1.95 t=27590.0ps kin=1.48 pot=21.54 Rg=34.272 SPS=1620
bl=2660 pos[1]=[17.2 9.0 -35.7] dr=1.88 t=27600.0ps kin=1.46 pot=21.48 Rg=34.335 SPS=1634
bl=2661 pos[1]=[15.3 11.1 -34.6] dr=1.92 t=27610.0ps kin=1.50 pot=21.48 Rg=34.336 SPS=1606
bl=2662 pos[1]=[12.3 11.9 -35.4] dr=1.90 t=27620.0ps kin=1.47 pot=21.50 Rg=34.352 SPS=1558
bl=2663 pos[1]=[11.1 11.2 -34.4] dr=1.85 t=27630.0ps kin=1.49 pot=21.48 Rg=34.369 SPS=1592
bl=2664 pos[1]=[11.3 12.3 -33.6] dr=1.94 t=27640.0ps kin=1.46 pot=21.45 Rg=34.355 SPS=1603
bl=2665 pos[1]=[12.0 14.2 -34.0] dr=1.94 t=27650.0ps kin=1.46 pot=21.53 Rg=34.394 SPS=1640
bl=2666 pos[1]=[14.7 14.5 -32.1] dr=1.96 t=27660.0ps kin=1.50 pot=21.48 Rg=34.419 SPS=1630
bl=2667 pos[1]=[12.3 12.4 -34.5] dr=1.99 t=27670.0ps kin=1.49 pot=21.48 Rg=34.320 SPS=1625
bl=2668 pos[1]=[11.3 9.9 -33.2] dr=1.91 t=27680.0ps kin=1.48 pot=21.49 Rg=34.258 SPS=1617
bl=2669 pos[1]=[14.3 9.3 -33.5] dr=1.97 t=27690.0ps kin=1.49 pot=21.53 Rg=34.171 SPS=1594
bl=2670 pos[1]=[14.0 10.7 -35.2] dr=1.92 t=27700.0ps kin=1.49 pot=21.48 Rg=34.108 SPS=1603
bl=2671 pos[1]=[13.1 9.1 -34.7] dr=1.90 t=27710.0ps kin=1.46 pot=21.50 Rg=34.120 SPS=1588
bl=2672 pos[1]=[14.7 8.2 -33.9] dr=1.92 t=27720.0ps kin=1.49 pot=21.53 Rg=34.082 SPS=1599
bl=2673 pos[1]=[16.6 9.2 -31.3] dr=1.96 t=27730.0ps kin=1.46 pot=21.54 Rg=34.002 SPS=1595
bl=2674 pos[1]=[17.4 9.2 -34.0] dr=1.96 t=27740.0ps kin=1.46 pot=21.49 Rg=33.843 SPS=1560
bl=2675 pos[1]=[17.2 8.4 -35.6] dr=1.86 t=27750.0ps kin=1.49 pot=21.46 Rg=33.750 SPS=1620
bl=2676 pos[1]=[17.1 9.4 -36.7] dr=1.93 t=27760.0ps kin=1.56 pot=21.54 Rg=33.760 SPS=1587
bl=2677 pos[1]=[13.4 9.1 -35.3] dr=1.93 t=27770.0ps kin=1.48 pot=21.55 Rg=33.808 SPS=1581
bl=2678 pos[1]=[15.1 8.7 -34.6] dr=1.92 t=27780.0ps kin=1.53 pot=21.53 Rg=33.829 SPS=1563
bl=2679 pos[1]=[15.2 9.6 -34.9] dr=1.92 t=27790.0ps kin=1.47 pot=21.50 Rg=33.881 SPS=1605
bl=2680 pos[1]=[15.3 9.7 -35.2] dr=1.89 t=27800.0ps kin=1.55 pot=21.51 Rg=33.959 SPS=1608
bl=2681 pos[1]=[15.4 11.5 -36.1] dr=1.88 t=27810.0ps kin=1.52 pot=21.52 Rg=33.994 SPS=1619
bl=2682 pos[1]=[14.4 10.4 -34.5] dr=1.93 t=27820.0ps kin=1.46 pot=21.47 Rg=33.905 SPS=1617
bl=2683 pos[1]=[12.5 11.0 -35.2] dr=1.97 t=27830.0ps kin=1.49 pot=21.49 Rg=33.825 SPS=1615
bl=2684 pos[1]=[12.0 9.2 -31.8] dr=1.87 t=27840.0ps kin=1.51 pot=21.47 Rg=33.781 SPS=1631
bl=2685 pos[1]=[12.4 8.3 -31.3] dr=1.91 t=27850.0ps kin=1.50 pot=21.51 Rg=33.729 SPS=1592
bl=2686 pos[1]=[12.4 7.5 -30.4] dr=1.86 t=27860.0ps kin=1.47 pot=21.53 Rg=33.620 SPS=1617
bl=2687 pos[1]=[14.4 9.7 -29.0] dr=1.85 t=27870.0ps kin=1.47 pot=21.52 Rg=33.592 SPS=1619
bl=2688 pos[1]=[15.4 7.7 -31.0] dr=1.84 t=27880.0ps kin=1.49 pot=21.52 Rg=33.561 SPS=1581
bl=2689 pos[1]=[15.1 5.1 -34.2] dr=1.85 t=27890.0ps kin=1.46 pot=21.53 Rg=33.602 SPS=1617
bl=2690 pos[1]=[15.5 3.3 -34.2] dr=1.92 t=27900.0ps kin=1.55 pot=21.51 Rg=33.714 SPS=1618
bl=2691 pos[1]=[12.5 1.3 -34.5] dr=1.92 t=27910.0ps kin=1.50 pot=21.53 Rg=33.779 SPS=1599
bl=2692 pos[1]=[13.1 -0.1 -36.0] dr=1.94 t=27920.0ps kin=1.50 pot=21.54 Rg=33.782 SPS=1578
bl=2693 pos[1]=[11.6 -0.9 -36.6] dr=1.97 t=27930.0ps kin=1.51 pot=21.51 Rg=33.720 SPS=1594
bl=2694 pos[1]=[10.5 -2.5 -33.4] dr=1.89 t=27940.0ps kin=1.58 pot=21.50 Rg=33.862 SPS=1590
bl=2695 pos[1]=[10.4 -2.3 -36.4] dr=1.90 t=27950.0ps kin=1.50 pot=21.52 Rg=33.971 SPS=1572
bl=2696 pos[1]=[10.8 -1.1 -37.8] dr=1.84 t=27960.0ps kin=1.47 pot=21.53 Rg=34.062 SPS=1629
bl=2697 pos[1]=[12.9 -0.5 -36.8] dr=1.90 t=27970.0ps kin=1.50 pot=21.56 Rg=34.163 SPS=1647
bl=2698 pos[1]=[14.4 0.7 -35.1] dr=1.91 t=27980.0ps kin=1.49 pot=21.55 Rg=34.142 SPS=1622
bl=2699 pos[1]=[13.7 0.1 -34.0] dr=1.96 t=27990.0ps kin=1.51 pot=21.51 Rg=34.136 SPS=1601
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 7.50336966 1.57018281 -1.98515826] Rg = 34.136013
median bond size is 0.9682329753811142
three shortest/longest (<10)/ bonds are [0.87752802 0.87965212 0.88103284] [1.09556727 1.0984047 1.10262579]
95 percentile of distance to center is: 56.13915577978951
density of closest 95% monomers is: 0.001738189224253661
density of the core monomers is: 0.005722141899004946
min/median/mean/max coordinates are:
x: -30.14, 4.99, 7.50, 59.07
y: -40.26, 1.80, 1.57, 47.57
z: -34.96, 1.21, -1.99, 20.95
Statistics for velocities:
mean kinetic energy is: 1.516376517839717 should be: 1.5
fastest particles are (in kT): [ 6.33184181 6.52513646 7.26548103 9.36852606 11.21063916]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.512444690265486
bl=2700 pos[1]=[11.6 -1.4 -34.7] dr=2.02 t=28000.0ps kin=1.56 pot=21.50 Rg=34.126 SPS=1564
bl=2701 pos[1]=[12.0 -3.9 -35.2] dr=1.95 t=28010.0ps kin=1.50 pot=21.51 Rg=34.112 SPS=1609
bl=2702 pos[1]=[10.0 0.1 -34.0] dr=1.91 t=28020.0ps kin=1.52 pot=21.52 Rg=34.163 SPS=1577
bl=2703 pos[1]=[10.3 -1.9 -34.2] dr=1.91 t=28030.0ps kin=1.46 pot=21.55 Rg=34.224 SPS=1578
bl=2704 pos[1]=[9.3 0.9 -32.6] dr=1.93 t=28040.0ps kin=1.52 pot=21.50 Rg=34.208 SPS=1589
bl=2705 pos[1]=[5.7 2.0 -33.2] dr=2.05 t=28050.0ps kin=1.50 pot=21.52 Rg=34.137 SPS=1591
bl=2706 pos[1]=[3.6 -0.1 -35.8] dr=1.92 t=28060.0ps kin=1.51 pot=21.54 Rg=34.003 SPS=1618
bl=2707 pos[1]=[3.0 -0.7 -33.7] dr=1.92 t=28070.0ps kin=1.50 pot=21.53 Rg=33.913 SPS=1595
bl=2708 pos[1]=[4.3 0.4 -36.3] dr=1.94 t=28080.0ps kin=1.52 pot=21.51 Rg=33.925 SPS=1612
bl=2709 pos[1]=[7.4 2.4 -37.0] dr=1.93 t=28090.0ps kin=1.48 pot=21.49 Rg=33.921 SPS=1610
bl=2710 pos[1]=[11.0 3.7 -36.3] dr=1.89 t=28100.0ps kin=1.51 pot=21.52 Rg=33.922 SPS=1611
bl=2711 pos[1]=[12.0 3.4 -34.2] dr=1.95 t=28110.0ps kin=1.47 pot=21.53 Rg=33.949 SPS=1604
bl=2712 pos[1]=[12.2 1.4 -36.3] dr=1.95 t=28120.0ps kin=1.50 pot=21.47 Rg=34.006 SPS=1544
bl=2713 pos[1]=[9.6 2.9 -34.9] dr=1.92 t=28130.0ps kin=1.52 pot=21.49 Rg=34.017 SPS=1590
bl=2714 pos[1]=[10.2 3.4 -34.1] dr=1.87 t=28140.0ps kin=1.45 pot=21.49 Rg=34.043 SPS=1606
bl=2715 pos[1]=[11.1 2.0 -35.8] dr=1.92 t=28150.0ps kin=1.55 pot=21.51 Rg=33.956 SPS=1586
bl=2716 pos[1]=[13.1 3.0 -37.0] dr=1.93 t=28160.0ps kin=1.52 pot=21.51 Rg=33.876 SPS=1589
bl=2717 pos[1]=[11.1 2.2 -36.7] dr=1.94 t=28170.0ps kin=1.53 pot=21.58 Rg=33.873 SPS=1581
bl=2718 pos[1]=[13.0 1.1 -36.7] dr=1.98 t=28180.0ps kin=1.53 pot=21.59 Rg=34.014 SPS=1565
bl=2719 pos[1]=[12.5 3.1 -38.9] dr=1.96 t=28190.0ps kin=1.57 pot=21.52 Rg=34.022 SPS=1528
bl=2720 pos[1]=[10.7 2.5 -39.0] dr=1.96 t=28200.0ps kin=1.51 pot=21.52 Rg=33.986 SPS=1589
bl=2721 pos[1]=[10.3 2.7 -39.6] dr=1.88 t=28210.0ps kin=1.48 pot=21.49 Rg=33.933 SPS=1608
bl=2722 pos[1]=[9.9 -0.8 -35.4] dr=1.92 t=28220.0ps kin=1.54 pot=21.45 Rg=33.831 SPS=1606
bl=2723 pos[1]=[7.0 -5.7 -35.0] dr=1.94 t=28230.0ps kin=1.46 pot=21.56 Rg=33.773 SPS=1566
bl=2724 pos[1]=[7.3 -2.6 -33.7] dr=1.90 t=28240.0ps kin=1.44 pot=21.58 Rg=33.842 SPS=1605
bl=2725 pos[1]=[4.5 -1.2 -35.2] dr=1.97 t=28250.0ps kin=1.53 pot=21.53 Rg=33.868 SPS=1647
bl=2726 pos[1]=[4.4 -2.1 -36.5] dr=2.01 t=28260.0ps kin=1.54 pot=21.50 Rg=33.840 SPS=1616
bl=2727 pos[1]=[4.5 0.7 -39.6] dr=1.89 t=28270.0ps kin=1.44 pot=21.52 Rg=33.824 SPS=1597
bl=2728 pos[1]=[4.6 4.8 -36.8] dr=1.96 t=28280.0ps kin=1.53 pot=21.48 Rg=33.949 SPS=1604
bl=2729 pos[1]=[4.6 5.6 -37.1] dr=1.97 t=28290.0ps kin=1.53 pot=21.51 Rg=34.054 SPS=1588
bl=2730 pos[1]=[6.9 2.7 -38.5] dr=2.02 t=28300.0ps kin=1.54 pot=21.51 Rg=34.066 SPS=1578
bl=2731 pos[1]=[7.5 1.7 -38.8] dr=1.92 t=28310.0ps kin=1.50 pot=21.51 Rg=34.079 SPS=1618
bl=2732 pos[1]=[9.3 4.5 -39.2] dr=2.00 t=28320.0ps kin=1.48 pot=21.52 Rg=34.093 SPS=1644
bl=2733 pos[1]=[9.6 3.7 -36.9] dr=1.93 t=28330.0ps kin=1.49 pot=21.49 Rg=34.069 SPS=1634
bl=2734 pos[1]=[10.8 5.1 -35.9] dr=1.94 t=28340.0ps kin=1.47 pot=21.56 Rg=33.976 SPS=1639
bl=2735 pos[1]=[12.0 5.6 -35.1] dr=1.90 t=28350.0ps kin=1.50 pot=21.49 Rg=33.901 SPS=1616
bl=2736 pos[1]=[11.6 5.8 -33.5] dr=1.96 t=28360.0ps kin=1.50 pot=21.52 Rg=33.776 SPS=1648
bl=2737 pos[1]=[11.1 3.7 -35.4] dr=2.04 t=28370.0ps kin=1.53 pot=21.53 Rg=33.737 SPS=1615
bl=2738 pos[1]=[7.7 1.7 -34.6] dr=1.99 t=28380.0ps kin=1.53 pot=21.54 Rg=33.614 SPS=1617
bl=2739 pos[1]=[3.6 1.8 -34.8] dr=1.92 t=28390.0ps kin=1.52 pot=21.51 Rg=33.547 SPS=1624
bl=2740 pos[1]=[3.7 2.4 -33.6] dr=1.99 t=28400.0ps kin=1.53 pot=21.52 Rg=33.629 SPS=1593
bl=2741 pos[1]=[3.9 2.5 -34.4] dr=1.95 t=28410.0ps kin=1.52 pot=21.50 Rg=33.725 SPS=1614
bl=2742 pos[1]=[5.3 1.5 -36.4] dr=1.92 t=28420.0ps kin=1.56 pot=21.50 Rg=33.771 SPS=1607
bl=2743 pos[1]=[4.7 0.9 -36.4] dr=1.88 t=28430.0ps kin=1.49 pot=21.53 Rg=33.856 SPS=1644
bl=2744 pos[1]=[4.7 1.6 -37.3] dr=1.91 t=28440.0ps kin=1.44 pot=21.48 Rg=33.773 SPS=1642
bl=2745 pos[1]=[4.3 2.3 -37.7] dr=1.86 t=28450.0ps kin=1.47 pot=21.50 Rg=33.790 SPS=1613
bl=2746 pos[1]=[3.7 1.9 -36.7] dr=1.90 t=28460.0ps kin=1.46 pot=21.51 Rg=33.892 SPS=1611
bl=2747 pos[1]=[2.8 3.4 -35.7] dr=1.87 t=28470.0ps kin=1.47 pot=21.48 Rg=34.033 SPS=1620
bl=2748 pos[1]=[-1.2 1.3 -36.4] dr=1.88 t=28480.0ps kin=1.46 pot=21.49 Rg=34.133 SPS=1610
bl=2749 pos[1]=[-2.5 1.3 -37.0] dr=1.87 t=28490.0ps kin=1.47 pot=21.49 Rg=34.152 SPS=1558
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.38117064 0.41797437 -2.19882157] Rg = 34.151855
median bond size is 0.9677277889449309
three shortest/longest (<10)/ bonds are [0.87872145 0.88642373 0.88881945] [1.08539273 1.08809823 1.09405233]
95 percentile of distance to center is: 54.175939163331414
density of closest 95% monomers is: 0.001934084031702947
density of the core monomers is: 0.01897431911558727
min/median/mean/max coordinates are:
x: -31.41, 7.21, 8.38, 58.51
y: -39.07, 2.08, 0.42, 41.78
z: -36.96, 1.00, -2.20, 19.43
Statistics for velocities:
mean kinetic energy is: 1.4737824023921557 should be: 1.5
fastest particles are (in kT): [6.23047255 6.27884953 7.16710839 8.0929683 8.46730107]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.494901133849556
bl=2750 pos[1]=[-0.4 3.9 -37.5] dr=1.94 t=28500.0ps kin=1.56 pot=21.53 Rg=34.137 SPS=1603
bl=2751 pos[1]=[0.9 6.2 -36.5] dr=1.99 t=28510.0ps kin=1.52 pot=21.51 Rg=34.217 SPS=1601
bl=2752 pos[1]=[3.2 6.6 -37.9] dr=1.97 t=28520.0ps kin=1.54 pot=21.52 Rg=34.304 SPS=1592
bl=2753 pos[1]=[3.7 5.9 -36.2] dr=1.97 t=28530.0ps kin=1.46 pot=21.55 Rg=34.332 SPS=1580
bl=2754 pos[1]=[3.5 6.5 -36.3] dr=1.94 t=28540.0ps kin=1.52 pot=21.50 Rg=34.389 SPS=1575
bl=2755 pos[1]=[4.2 7.1 -36.9] dr=1.98 t=28550.0ps kin=1.50 pot=21.51 Rg=34.480 SPS=1590
bl=2756 pos[1]=[3.4 4.8 -34.5] dr=1.92 t=28560.0ps kin=1.51 pot=21.53 Rg=34.420 SPS=1611
bl=2757 pos[1]=[2.9 6.3 -35.3] dr=1.93 t=28570.0ps kin=1.45 pot=21.54 Rg=34.411 SPS=1630
bl=2758 pos[1]=[2.3 4.7 -34.2] dr=1.96 t=28580.0ps kin=1.54 pot=21.49 Rg=34.504 SPS=1614
bl=2759 pos[1]=[3.9 5.9 -35.7] dr=1.98 t=28590.0ps kin=1.58 pot=21.50 Rg=34.551 SPS=1605
bl=2760 pos[1]=[5.2 5.0 -35.8] dr=1.90 t=28600.0ps kin=1.55 pot=21.52 Rg=34.582 SPS=1613
bl=2761 pos[1]=[3.2 4.4 -38.7] dr=1.87 t=28610.0ps kin=1.51 pot=21.57 Rg=34.619 SPS=1585
bl=2762 pos[1]=[2.8 5.2 -38.0] dr=1.90 t=28620.0ps kin=1.52 pot=21.52 Rg=34.698 SPS=1597
bl=2763 pos[1]=[2.6 5.9 -36.7] dr=1.87 t=28630.0ps kin=1.49 pot=21.50 Rg=34.662 SPS=1595
bl=2764 pos[1]=[0.1 1.3 -38.7] dr=2.01 t=28640.0ps kin=1.57 pot=21.53 Rg=34.679 SPS=1581
bl=2765 pos[1]=[0.1 -0.7 -40.7] dr=1.98 t=28650.0ps kin=1.57 pot=21.51 Rg=34.695 SPS=1588
bl=2766 pos[1]=[2.9 -0.5 -39.9] dr=1.94 t=28660.0ps kin=1.49 pot=21.52 Rg=34.736 SPS=1610
bl=2767 pos[1]=[2.6 -1.3 -39.6] dr=1.91 t=28670.0ps kin=1.50 pot=21.52 Rg=34.702 SPS=1598
bl=2768 pos[1]=[0.9 0.7 -39.7] dr=1.92 t=28680.0ps kin=1.46 pot=21.55 Rg=34.683 SPS=1603
bl=2769 pos[1]=[1.2 1.1 -38.6] dr=1.95 t=28690.0ps kin=1.50 pot=21.50 Rg=34.714 SPS=1587
bl=2770 pos[1]=[1.5 0.7 -36.9] dr=1.90 t=28700.0ps kin=1.52 pot=21.55 Rg=34.713 SPS=1601
bl=2771 pos[1]=[2.5 -1.8 -38.5] dr=1.84 t=28710.0ps kin=1.46 pot=21.53 Rg=34.772 SPS=1583
bl=2772 pos[1]=[2.6 -2.5 -38.1] dr=1.81 t=28720.0ps kin=1.45 pot=21.49 Rg=34.831 SPS=1636
bl=2773 pos[1]=[2.7 -2.7 -37.7] dr=1.91 t=28730.0ps kin=1.50 pot=21.47 Rg=34.879 SPS=1600
bl=2774 pos[1]=[1.2 -0.1 -35.6] dr=1.95 t=28740.0ps kin=1.52 pot=21.47 Rg=34.910 SPS=1608
bl=2775 pos[1]=[-0.1 1.4 -35.8] dr=1.96 t=28750.0ps kin=1.55 pot=21.52 Rg=34.875 SPS=1577
bl=2776 pos[1]=[-0.9 -0.6 -40.5] dr=1.95 t=28760.0ps kin=1.50 pot=21.52 Rg=34.839 SPS=1589
bl=2777 pos[1]=[-0.4 -1.2 -40.7] dr=1.91 t=28770.0ps kin=1.53 pot=21.52 Rg=34.824 SPS=1599
bl=2778 pos[1]=[1.7 0.3 -40.0] dr=1.98 t=28780.0ps kin=1.48 pot=21.49 Rg=34.767 SPS=1588
bl=2779 pos[1]=[1.5 0.7 -40.7] dr=1.87 t=28790.0ps kin=1.45 pot=21.48 Rg=34.766 SPS=1518
bl=2780 pos[1]=[-1.2 3.0 -39.7] dr=1.97 t=28800.0ps kin=1.53 pot=21.56 Rg=34.749 SPS=1597
bl=2781 pos[1]=[-5.9 1.0 -39.4] dr=1.94 t=28810.0ps kin=1.55 pot=21.52 Rg=34.832 SPS=1580
bl=2782 pos[1]=[-4.5 1.1 -39.7] dr=1.98 t=28820.0ps kin=1.49 pot=21.53 Rg=34.880 SPS=1570
bl=2783 pos[1]=[-6.2 1.1 -37.5] dr=1.90 t=28830.0ps kin=1.49 pot=21.50 Rg=34.850 SPS=1584
bl=2784 pos[1]=[-5.3 -1.2 -36.4] dr=1.97 t=28840.0ps kin=1.49 pot=21.46 Rg=34.726 SPS=1593
bl=2785 pos[1]=[-2.8 1.8 -36.2] dr=2.03 t=28850.0ps kin=1.53 pot=21.54 Rg=34.589 SPS=1611
bl=2786 pos[1]=[-1.7 1.6 -36.1] dr=1.98 t=28860.0ps kin=1.53 pot=21.46 Rg=34.581 SPS=1618
bl=2787 pos[1]=[-0.6 3.1 -37.2] dr=2.02 t=28870.0ps kin=1.53 pot=21.49 Rg=34.530 SPS=1595
bl=2788 pos[1]=[-0.5 3.2 -36.6] dr=1.89 t=28880.0ps kin=1.53 pot=21.49 Rg=34.512 SPS=1579
bl=2789 pos[1]=[-2.4 3.8 -35.1] dr=1.92 t=28890.0ps kin=1.52 pot=21.48 Rg=34.586 SPS=1613
bl=2790 pos[1]=[-2.8 3.4 -32.9] dr=1.94 t=28900.0ps kin=1.54 pot=21.51 Rg=34.571 SPS=1645
bl=2791 pos[1]=[-4.1 2.2 -31.5] dr=1.99 t=28910.0ps kin=1.49 pot=21.46 Rg=34.523 SPS=1576
bl=2792 pos[1]=[-4.9 2.4 -33.5] dr=1.93 t=28920.0ps kin=1.51 pot=21.50 Rg=34.543 SPS=1584
bl=2793 pos[1]=[-4.0 1.8 -37.7] dr=1.95 t=28930.0ps kin=1.54 pot=21.46 Rg=34.481 SPS=1590
bl=2794 pos[1]=[-5.1 2.4 -33.7] dr=1.96 t=28940.0ps kin=1.48 pot=21.52 Rg=34.417 SPS=1568
bl=2795 pos[1]=[-7.6 3.4 -33.3] dr=1.95 t=28950.0ps kin=1.49 pot=21.53 Rg=34.411 SPS=1586
bl=2796 pos[1]=[-6.4 1.8 -34.1] dr=1.98 t=28960.0ps kin=1.47 pot=21.53 Rg=34.401 SPS=1593
bl=2797 pos[1]=[-6.8 4.4 -34.1] dr=1.99 t=28970.0ps kin=1.50 pot=21.47 Rg=34.243 SPS=1572
bl=2798 pos[1]=[-4.1 4.8 -34.1] dr=1.92 t=28980.0ps kin=1.49 pot=21.49 Rg=34.167 SPS=1582
bl=2799 pos[1]=[-5.5 3.6 -33.9] dr=1.98 t=28990.0ps kin=1.51 pot=21.49 Rg=34.233 SPS=1607
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.07381286 -0.69187233 -1.78300853] Rg = 34.233303
median bond size is 0.9682176775153672
three shortest/longest (<10)/ bonds are [0.88246781 0.88418114 0.88750996] [1.08480662 1.08751541 1.08782272]
95 percentile of distance to center is: 55.739384464670586
density of closest 95% monomers is: 0.001775857771476536
density of the core monomers is: 0.015789377565377207
min/median/mean/max coordinates are:
x: -34.29, 7.46, 9.07, 60.42
y: -42.12, -0.11, -0.69, 46.42
z: -34.27, 0.78, -1.78, 19.87
Statistics for velocities:
mean kinetic energy is: 1.5142811754661656 should be: 1.5
fastest particles are (in kT): [7.10857781 7.34672046 7.54551349 8.23158073 8.76973167]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.48879833840339
bl=2800 pos[1]=[-4.0 -0.0 -34.4] dr=1.95 t=29000.0ps kin=1.49 pot=21.52 Rg=34.287 SPS=1568
bl=2801 pos[1]=[-0.5 -0.0 -33.7] dr=1.94 t=29010.0ps kin=1.45 pot=21.49 Rg=34.306 SPS=1589
bl=2802 pos[1]=[-2.5 -1.7 -37.0] dr=1.93 t=29020.0ps kin=1.49 pot=21.48 Rg=34.229 SPS=1607
bl=2803 pos[1]=[-1.5 3.0 -37.2] dr=1.94 t=29030.0ps kin=1.51 pot=21.48 Rg=34.247 SPS=1578
bl=2804 pos[1]=[2.5 5.7 -37.8] dr=1.99 t=29040.0ps kin=1.47 pot=21.51 Rg=34.272 SPS=1598
bl=2805 pos[1]=[3.4 3.6 -37.3] dr=1.92 t=29050.0ps kin=1.50 pot=21.49 Rg=34.300 SPS=1602
bl=2806 pos[1]=[5.7 1.8 -37.0] dr=1.85 t=29060.0ps kin=1.46 pot=21.50 Rg=34.344 SPS=1625
bl=2807 pos[1]=[6.3 0.8 -37.9] dr=1.90 t=29070.0ps kin=1.54 pot=21.49 Rg=34.430 SPS=1604
bl=2808 pos[1]=[5.8 -1.7 -37.0] dr=1.91 t=29080.0ps kin=1.48 pot=21.56 Rg=34.443 SPS=1579
bl=2809 pos[1]=[4.2 0.3 -36.5] dr=1.95 t=29090.0ps kin=1.49 pot=21.53 Rg=34.537 SPS=1584
bl=2810 pos[1]=[2.9 -1.2 -34.3] dr=1.98 t=29100.0ps kin=1.55 pot=21.54 Rg=34.583 SPS=1602
bl=2811 pos[1]=[2.9 -3.2 -31.1] dr=1.95 t=29110.0ps kin=1.55 pot=21.53 Rg=34.603 SPS=1595
bl=2812 pos[1]=[2.5 -4.6 -29.7] dr=1.91 t=29120.0ps kin=1.49 pot=21.52 Rg=34.654 SPS=1543
bl=2813 pos[1]=[1.4 -4.3 -28.3] dr=1.88 t=29130.0ps kin=1.48 pot=21.52 Rg=34.630 SPS=1617
bl=2814 pos[1]=[0.2 -3.8 -26.8] dr=1.91 t=29140.0ps kin=1.49 pot=21.51 Rg=34.515 SPS=1612
bl=2815 pos[1]=[0.1 -5.1 -26.7] dr=1.87 t=29150.0ps kin=1.49 pot=21.52 Rg=34.359 SPS=1583
bl=2816 pos[1]=[1.3 -3.8 -26.9] dr=1.88 t=29160.0ps kin=1.55 pot=21.52 Rg=34.303 SPS=1590
bl=2817 pos[1]=[2.2 -5.2 -27.1] dr=1.85 t=29170.0ps kin=1.49 pot=21.55 Rg=34.266 SPS=1693
bl=2818 pos[1]=[-1.3 -4.0 -28.7] dr=1.92 t=29180.0ps kin=1.53 pot=21.55 Rg=34.348 SPS=1695
bl=2819 pos[1]=[0.0 -4.6 -28.6] dr=1.99 t=29190.0ps kin=1.54 pot=21.51 Rg=34.367 SPS=1643
bl=2820 pos[1]=[-0.9 -5.7 -32.0] dr=2.00 t=29200.0ps kin=1.53 pot=21.51 Rg=34.347 SPS=1652
bl=2821 pos[1]=[-1.6 -4.0 -32.5] dr=1.94 t=29210.0ps kin=1.42 pot=21.53 Rg=34.187 SPS=1619
bl=2822 pos[1]=[-2.5 -3.3 -33.5] dr=1.93 t=29220.0ps kin=1.47 pot=21.52 Rg=34.070 SPS=1654
bl=2823 pos[1]=[-2.4 -2.8 -34.1] dr=1.91 t=29230.0ps kin=1.49 pot=21.50 Rg=34.005 SPS=1623
bl=2824 pos[1]=[-3.7 -3.5 -33.2] dr=1.97 t=29240.0ps kin=1.52 pot=21.55 Rg=33.921 SPS=1628
bl=2825 pos[1]=[-7.0 -3.4 -30.7] dr=2.00 t=29250.0ps kin=1.58 pot=21.50 Rg=33.862 SPS=1648
bl=2826 pos[1]=[-7.9 1.1 -29.5] dr=1.86 t=29260.0ps kin=1.48 pot=21.52 Rg=33.787 SPS=1658
bl=2827 pos[1]=[-6.6 0.7 -31.7] dr=1.88 t=29270.0ps kin=1.48 pot=21.53 Rg=33.718 SPS=1644
bl=2828 pos[1]=[-5.3 -0.4 -29.3] dr=1.92 t=29280.0ps kin=1.52 pot=21.53 Rg=33.627 SPS=1650
bl=2829 pos[1]=[-2.9 0.2 -27.4] dr=1.89 t=29290.0ps kin=1.52 pot=21.52 Rg=33.559 SPS=1646
bl=2830 pos[1]=[-2.5 -0.5 -25.1] dr=1.87 t=29300.0ps kin=1.49 pot=21.56 Rg=33.550 SPS=1634
bl=2831 pos[1]=[-1.8 -2.2 -24.3] dr=1.88 t=29310.0ps kin=1.47 pot=21.50 Rg=33.601 SPS=1658
bl=2832 pos[1]=[-3.8 -3.0 -24.9] dr=2.00 t=29320.0ps kin=1.47 pot=21.52 Rg=33.681 SPS=1661
bl=2833 pos[1]=[-4.9 -2.4 -27.9] dr=1.95 t=29330.0ps kin=1.53 pot=21.49 Rg=33.703 SPS=1652
bl=2834 pos[1]=[-3.3 -3.0 -30.0] dr=1.93 t=29340.0ps kin=1.41 pot=21.52 Rg=33.703 SPS=1627
bl=2835 pos[1]=[-3.5 -4.2 -30.6] dr=1.96 t=29350.0ps kin=1.45 pot=21.51 Rg=33.780 SPS=1609
bl=2836 pos[1]=[-2.9 -3.2 -29.7] dr=1.97 t=29360.0ps kin=1.52 pot=21.49 Rg=33.809 SPS=1636
bl=2837 pos[1]=[-4.3 -0.4 -26.5] dr=1.91 t=29370.0ps kin=1.51 pot=21.51 Rg=33.779 SPS=1641
bl=2838 pos[1]=[-6.7 -0.8 -25.2] dr=1.88 t=29380.0ps kin=1.48 pot=21.51 Rg=33.763 SPS=1591
bl=2839 pos[1]=[-6.7 -4.2 -25.4] dr=1.91 t=29390.0ps kin=1.47 pot=21.50 Rg=33.818 SPS=1604
bl=2840 pos[1]=[-2.3 -4.9 -28.4] dr=1.97 t=29400.0ps kin=1.54 pot=21.43 Rg=33.811 SPS=1634
bl=2841 pos[1]=[-1.3 -2.8 -31.1] dr=1.97 t=29410.0ps kin=1.45 pot=21.46 Rg=33.853 SPS=1554
bl=2842 pos[1]=[0.3 -3.1 -30.0] dr=1.98 t=29420.0ps kin=1.50 pot=21.50 Rg=33.959 SPS=1617
bl=2843 pos[1]=[-1.3 -5.3 -31.3] dr=1.96 t=29430.0ps kin=1.47 pot=21.51 Rg=34.012 SPS=1625
bl=2844 pos[1]=[-4.2 -2.7 -35.3] dr=1.93 t=29440.0ps kin=1.54 pot=21.48 Rg=33.959 SPS=1627
bl=2845 pos[1]=[-6.2 0.4 -34.5] dr=1.98 t=29450.0ps kin=1.53 pot=21.47 Rg=33.852 SPS=1589
bl=2846 pos[1]=[-7.9 0.1 -34.2] dr=1.91 t=29460.0ps kin=1.56 pot=21.48 Rg=33.798 SPS=1583
bl=2847 pos[1]=[-6.4 0.5 -32.8] dr=1.92 t=29470.0ps kin=1.52 pot=21.52 Rg=33.818 SPS=1618
bl=2848 pos[1]=[-4.0 -2.4 -32.0] dr=1.93 t=29480.0ps kin=1.44 pot=21.52 Rg=33.793 SPS=1614
bl=2849 pos[1]=[-4.1 -1.9 -30.6] dr=1.88 t=29490.0ps kin=1.43 pot=21.48 Rg=33.764 SPS=1627
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 7.81397008 0.25818457 -1.59494593] Rg = 33.764027
median bond size is 0.9658996067460622
three shortest/longest (<10)/ bonds are [0.87838062 0.8834905 0.88444586] [1.07191162 1.07426059 1.07476961]
95 percentile of distance to center is: 52.47554658945556
density of closest 95% monomers is: 0.0021282555408867797
density of the core monomers is: 0.016225879457377704
min/median/mean/max coordinates are:
x: -29.87, 5.08, 7.81, 56.75
y: -37.98, -1.71, 0.26, 39.92
z: -32.39, 0.28, -1.59, 19.32
Statistics for velocities:
mean kinetic energy is: 1.4270676019934871 should be: 1.5
fastest particles are (in kT): [5.95725284 6.41576312 6.46466722 6.8432858 6.95385524]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.481125553097346
bl=2850 pos[1]=[-3.6 -2.7 -29.7] dr=1.93 t=29500.0ps kin=1.48 pot=21.51 Rg=33.806 SPS=1565
bl=2851 pos[1]=[-3.7 -0.1 -31.5] dr=1.97 t=29510.0ps kin=1.54 pot=21.46 Rg=33.890 SPS=1596
bl=2852 pos[1]=[-2.8 0.6 -31.1] dr=1.94 t=29520.0ps kin=1.54 pot=21.47 Rg=33.994 SPS=1604
bl=2853 pos[1]=[-3.8 -1.6 -31.7] dr=1.92 t=29530.0ps kin=1.50 pot=21.48 Rg=34.110 SPS=1583
bl=2854 pos[1]=[-0.8 -2.0 -30.2] dr=2.03 t=29540.0ps kin=1.53 pot=21.47 Rg=34.167 SPS=1585
bl=2855 pos[1]=[1.3 0.6 -31.1] dr=1.96 t=29550.0ps kin=1.52 pot=21.52 Rg=34.154 SPS=1622
bl=2856 pos[1]=[2.1 0.6 -31.3] dr=1.92 t=29560.0ps kin=1.45 pot=21.55 Rg=34.151 SPS=1609
bl=2857 pos[1]=[3.1 2.8 -30.6] dr=1.92 t=29570.0ps kin=1.50 pot=21.52 Rg=34.196 SPS=1601
bl=2858 pos[1]=[1.0 3.7 -30.9] dr=1.94 t=29580.0ps kin=1.48 pot=21.52 Rg=34.307 SPS=1581
bl=2859 pos[1]=[1.1 3.3 -33.8] dr=1.87 t=29590.0ps kin=1.50 pot=21.55 Rg=34.330 SPS=1597
bl=2860 pos[1]=[0.2 4.3 -37.4] dr=1.99 t=29600.0ps kin=1.53 pot=21.54 Rg=34.284 SPS=1614
bl=2861 pos[1]=[-0.9 6.4 -37.8] dr=1.96 t=29610.0ps kin=1.51 pot=21.54 Rg=34.195 SPS=1609
bl=2862 pos[1]=[-4.1 6.9 -37.8] dr=1.86 t=29620.0ps kin=1.51 pot=21.53 Rg=34.107 SPS=1585
bl=2863 pos[1]=[-7.0 5.2 -36.6] dr=1.89 t=29630.0ps kin=1.52 pot=21.52 Rg=34.015 SPS=1577
bl=2864 pos[1]=[-9.8 5.4 -36.6] dr=1.93 t=29640.0ps kin=1.50 pot=21.53 Rg=33.986 SPS=1559
bl=2865 pos[1]=[-7.9 5.1 -39.3] dr=1.90 t=29650.0ps kin=1.50 pot=21.49 Rg=33.988 SPS=1599
bl=2866 pos[1]=[-6.5 6.6 -37.4] dr=1.89 t=29660.0ps kin=1.51 pot=21.50 Rg=34.010 SPS=1586
bl=2867 pos[1]=[-8.0 6.8 -37.8] dr=1.95 t=29670.0ps kin=1.47 pot=21.53 Rg=34.158 SPS=1599
bl=2868 pos[1]=[-7.2 4.4 -39.2] dr=1.92 t=29680.0ps kin=1.52 pot=21.48 Rg=34.293 SPS=1606
bl=2869 pos[1]=[-4.8 3.5 -40.1] dr=2.02 t=29690.0ps kin=1.56 pot=21.47 Rg=34.179 SPS=1584
bl=2870 pos[1]=[0.6 2.5 -38.6] dr=1.99 t=29700.0ps kin=1.54 pot=21.47 Rg=34.088 SPS=1575
bl=2871 pos[1]=[-1.2 3.4 -35.6] dr=1.88 t=29710.0ps kin=1.47 pot=21.47 Rg=34.078 SPS=1615
bl=2872 pos[1]=[-0.2 5.8 -35.6] dr=1.87 t=29720.0ps kin=1.55 pot=21.50 Rg=34.168 SPS=1623
bl=2873 pos[1]=[-4.6 6.5 -34.6] dr=1.93 t=29730.0ps kin=1.54 pot=21.48 Rg=34.132 SPS=1605
bl=2874 pos[1]=[-5.3 5.3 -36.2] dr=1.95 t=29740.0ps kin=1.49 pot=21.55 Rg=34.115 SPS=1604
bl=2875 pos[1]=[-3.5 6.7 -37.0] dr=1.88 t=29750.0ps kin=1.46 pot=21.52 Rg=34.027 SPS=1617
bl=2876 pos[1]=[1.4 8.7 -36.4] dr=1.90 t=29760.0ps kin=1.47 pot=21.51 Rg=33.994 SPS=1603
bl=2877 pos[1]=[0.5 6.9 -36.9] dr=1.89 t=29770.0ps kin=1.47 pot=21.47 Rg=34.011 SPS=1576
bl=2878 pos[1]=[1.0 9.2 -36.4] dr=1.89 t=29780.0ps kin=1.45 pot=21.50 Rg=33.992 SPS=1603
bl=2879 pos[1]=[2.6 10.1 -37.6] dr=1.91 t=29790.0ps kin=1.48 pot=21.47 Rg=34.028 SPS=1588
bl=2880 pos[1]=[2.4 10.7 -38.7] dr=1.84 t=29800.0ps kin=1.44 pot=21.50 Rg=34.019 SPS=1568
bl=2881 pos[1]=[0.4 9.0 -39.3] dr=1.97 t=29810.0ps kin=1.50 pot=21.47 Rg=34.035 SPS=1605
bl=2882 pos[1]=[-0.4 6.8 -38.2] dr=1.88 t=29820.0ps kin=1.48 pot=21.47 Rg=34.108 SPS=1616
bl=2883 pos[1]=[0.5 4.3 -39.5] dr=1.92 t=29830.0ps kin=1.51 pot=21.50 Rg=34.211 SPS=1647
bl=2884 pos[1]=[-0.6 4.0 -39.8] dr=1.96 t=29840.0ps kin=1.51 pot=21.50 Rg=34.269 SPS=1602
bl=2885 pos[1]=[0.4 3.5 -40.7] dr=1.90 t=29850.0ps kin=1.50 pot=21.52 Rg=34.249 SPS=1589
bl=2886 pos[1]=[2.6 4.3 -41.6] dr=1.92 t=29860.0ps kin=1.53 pot=21.53 Rg=34.254 SPS=1608
bl=2887 pos[1]=[4.9 6.6 -40.9] dr=1.86 t=29870.0ps kin=1.43 pot=21.57 Rg=34.208 SPS=1590
bl=2888 pos[1]=[3.4 10.8 -40.8] dr=1.89 t=29880.0ps kin=1.54 pot=21.53 Rg=34.177 SPS=1601
bl=2889 pos[1]=[4.0 11.1 -42.5] dr=1.84 t=29890.0ps kin=1.50 pot=21.52 Rg=34.134 SPS=1582
bl=2890 pos[1]=[2.7 10.5 -43.3] dr=1.91 t=29900.0ps kin=1.52 pot=21.49 Rg=34.184 SPS=1565
bl=2891 pos[1]=[2.6 9.4 -44.2] dr=1.97 t=29910.0ps kin=1.50 pot=21.53 Rg=34.175 SPS=1600
bl=2892 pos[1]=[1.0 10.3 -43.5] dr=1.90 t=29920.0ps kin=1.47 pot=21.52 Rg=34.059 SPS=1577
bl=2893 pos[1]=[0.9 12.4 -43.0] dr=1.91 t=29930.0ps kin=1.53 pot=21.52 Rg=33.936 SPS=1500
bl=2894 pos[1]=[-1.4 12.9 -41.1] dr=1.95 t=29940.0ps kin=1.50 pot=21.56 Rg=33.933 SPS=1578
bl=2895 pos[1]=[-0.5 14.4 -40.6] dr=2.00 t=29950.0ps kin=1.50 pot=21.51 Rg=33.963 SPS=1590
bl=2896 pos[1]=[0.0 13.6 -40.0] dr=1.92 t=29960.0ps kin=1.52 pot=21.48 Rg=34.080 SPS=1601
bl=2897 pos[1]=[-0.3 13.2 -41.8] dr=1.92 t=29970.0ps kin=1.47 pot=21.51 Rg=34.176 SPS=1616
bl=2898 pos[1]=[-1.8 15.3 -40.2] dr=1.92 t=29980.0ps kin=1.54 pot=21.47 Rg=34.262 SPS=1595
bl=2899 pos[1]=[-1.3 15.5 -41.5] dr=1.93 t=29990.0ps kin=1.53 pot=21.51 Rg=34.412 SPS=1623
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.1198177 0.0250914 -2.37532373] Rg = 34.4123
median bond size is 0.9684815047932953
three shortest/longest (<10)/ bonds are [0.88439734 0.8855611 0.88610774] [1.07469345 1.07538236 1.09582307]
95 percentile of distance to center is: 55.83972699315093
density of closest 95% monomers is: 0.0017663014546570983
density of the core monomers is: 0.009981357330422594
min/median/mean/max coordinates are:
x: -32.42, 4.24, 8.12, 56.35
y: -40.05, -1.66, 0.03, 45.07
z: -42.07, -0.96, -2.38, 26.35
Statistics for velocities:
mean kinetic energy is: 1.534769019140139 should be: 1.5
fastest particles are (in kT): [ 7.95622496 8.1976039 8.59858281 9.26479368 10.07845702]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51197657402286
bl=2900 pos[1]=[-1.4 14.7 -44.0] dr=1.91 t=30000.0ps kin=1.49 pot=21.48 Rg=34.536 SPS=1599
bl=2901 pos[1]=[-1.5 12.2 -45.7] dr=1.96 t=30010.0ps kin=1.47 pot=21.49 Rg=34.660 SPS=1615
bl=2902 pos[1]=[-1.5 14.3 -42.8] dr=1.93 t=30020.0ps kin=1.50 pot=21.50 Rg=34.781 SPS=1602
bl=2903 pos[1]=[-1.8 13.8 -40.1] dr=1.98 t=30030.0ps kin=1.51 pot=21.47 Rg=34.822 SPS=1595
bl=2904 pos[1]=[-3.0 14.6 -41.9] dr=1.93 t=30040.0ps kin=1.42 pot=21.51 Rg=34.833 SPS=1585
bl=2905 pos[1]=[-5.3 14.1 -42.9] dr=1.97 t=30050.0ps kin=1.49 pot=21.52 Rg=34.874 SPS=1595
bl=2906 pos[1]=[-4.1 14.6 -41.3] dr=1.95 t=30060.0ps kin=1.52 pot=21.53 Rg=34.912 SPS=1580
bl=2907 pos[1]=[-4.4 12.3 -41.2] dr=1.99 t=30070.0ps kin=1.48 pot=21.56 Rg=34.948 SPS=1592
bl=2908 pos[1]=[-4.4 12.5 -39.7] dr=1.96 t=30080.0ps kin=1.51 pot=21.49 Rg=35.031 SPS=1572
bl=2909 pos[1]=[-1.3 12.3 -38.1] dr=1.91 t=30090.0ps kin=1.50 pot=21.51 Rg=35.114 SPS=1586
bl=2910 pos[1]=[0.4 14.5 -38.8] dr=1.93 t=30100.0ps kin=1.53 pot=21.51 Rg=35.143 SPS=1659
bl=2911 pos[1]=[1.7 16.0 -39.7] dr=1.87 t=30110.0ps kin=1.48 pot=21.49 Rg=35.173 SPS=1601
bl=2912 pos[1]=[-0.0 17.4 -38.8] dr=1.91 t=30120.0ps kin=1.51 pot=21.50 Rg=35.360 SPS=1599
bl=2913 pos[1]=[-0.7 17.6 -39.7] dr=1.91 t=30130.0ps kin=1.53 pot=21.50 Rg=35.510 SPS=1599
bl=2914 pos[1]=[-2.5 18.8 -39.8] dr=1.98 t=30140.0ps kin=1.53 pot=21.51 Rg=35.596 SPS=1589
bl=2915 pos[1]=[-2.1 18.4 -37.2] dr=1.94 t=30150.0ps kin=1.52 pot=21.48 Rg=35.604 SPS=1618
bl=2916 pos[1]=[-2.6 14.9 -39.0] dr=1.91 t=30160.0ps kin=1.51 pot=21.46 Rg=35.601 SPS=1499
bl=2917 pos[1]=[0.2 14.8 -39.9] dr=1.89 t=30170.0ps kin=1.50 pot=21.48 Rg=35.577 SPS=1606
bl=2918 pos[1]=[2.3 13.1 -39.0] dr=1.86 t=30180.0ps kin=1.43 pot=21.57 Rg=35.495 SPS=1591
bl=2919 pos[1]=[4.6 14.5 -38.0] dr=1.87 t=30190.0ps kin=1.47 pot=21.53 Rg=35.454 SPS=1578
bl=2920 pos[1]=[5.8 15.3 -34.4] dr=1.89 t=30200.0ps kin=1.54 pot=21.49 Rg=35.450 SPS=1595
bl=2921 pos[1]=[4.7 17.2 -36.2] dr=1.94 t=30210.0ps kin=1.46 pot=21.52 Rg=35.390 SPS=1590
bl=2922 pos[1]=[4.6 15.7 -39.5] dr=1.93 t=30220.0ps kin=1.46 pot=21.53 Rg=35.386 SPS=1585
bl=2923 pos[1]=[8.0 13.3 -40.5] dr=1.94 t=30230.0ps kin=1.50 pot=21.46 Rg=35.395 SPS=1582
bl=2924 pos[1]=[7.3 13.9 -41.7] dr=1.90 t=30240.0ps kin=1.45 pot=21.52 Rg=35.382 SPS=1592
bl=2925 pos[1]=[5.7 14.5 -44.1] dr=1.92 t=30250.0ps kin=1.52 pot=21.50 Rg=35.404 SPS=1568
bl=2926 pos[1]=[4.6 13.2 -45.3] dr=1.87 t=30260.0ps kin=1.47 pot=21.54 Rg=35.352 SPS=1550
bl=2927 pos[1]=[1.0 10.2 -43.1] dr=1.90 t=30270.0ps kin=1.50 pot=21.51 Rg=35.252 SPS=1562
bl=2928 pos[1]=[-0.3 11.2 -44.0] dr=1.87 t=30280.0ps kin=1.50 pot=21.51 Rg=35.255 SPS=1567
bl=2929 pos[1]=[-2.0 12.1 -45.6] dr=1.88 t=30290.0ps kin=1.46 pot=21.50 Rg=35.353 SPS=1624
bl=2930 pos[1]=[-3.1 12.6 -45.3] dr=1.84 t=30300.0ps kin=1.47 pot=21.49 Rg=35.335 SPS=1598
bl=2931 pos[1]=[-2.1 11.0 -43.8] dr=1.84 t=30310.0ps kin=1.53 pot=21.50 Rg=35.338 SPS=1615
bl=2932 pos[1]=[-4.3 15.7 -40.8] dr=1.94 t=30320.0ps kin=1.48 pot=21.47 Rg=35.250 SPS=1593
bl=2933 pos[1]=[-3.7 18.0 -38.7] dr=1.96 t=30330.0ps kin=1.49 pot=21.54 Rg=35.229 SPS=1601
bl=2934 pos[1]=[-5.2 18.4 -39.3] dr=1.94 t=30340.0ps kin=1.50 pot=21.48 Rg=35.179 SPS=1577
bl=2935 pos[1]=[-8.5 16.2 -40.5] dr=1.92 t=30350.0ps kin=1.47 pot=21.51 Rg=35.090 SPS=1628
bl=2936 pos[1]=[-6.4 18.9 -42.1] dr=1.94 t=30360.0ps kin=1.51 pot=21.50 Rg=35.056 SPS=1607
bl=2937 pos[1]=[-4.2 16.3 -39.7] dr=1.93 t=30370.0ps kin=1.50 pot=21.49 Rg=34.991 SPS=1589
bl=2938 pos[1]=[-0.8 16.5 -39.7] dr=1.95 t=30380.0ps kin=1.49 pot=21.51 Rg=34.994 SPS=1615
bl=2939 pos[1]=[2.0 15.6 -39.5] dr=1.96 t=30390.0ps kin=1.49 pot=21.50 Rg=35.060 SPS=1617
bl=2940 pos[1]=[2.8 16.5 -39.7] dr=1.91 t=30400.0ps kin=1.47 pot=21.53 Rg=35.027 SPS=1617
bl=2941 pos[1]=[2.7 18.2 -42.0] dr=1.93 t=30410.0ps kin=1.51 pot=21.51 Rg=35.009 SPS=1631
bl=2942 pos[1]=[1.8 16.3 -41.1] dr=1.87 t=30420.0ps kin=1.51 pot=21.49 Rg=35.033 SPS=1612
bl=2943 pos[1]=[0.2 15.1 -40.9] dr=1.90 t=30430.0ps kin=1.51 pot=21.53 Rg=34.973 SPS=1627
bl=2944 pos[1]=[-1.5 14.4 -42.6] dr=1.95 t=30440.0ps kin=1.52 pot=21.53 Rg=34.920 SPS=1616
bl=2945 pos[1]=[-2.7 10.3 -39.8] dr=1.89 t=30450.0ps kin=1.48 pot=21.52 Rg=34.853 SPS=1588
bl=2946 pos[1]=[-3.7 11.0 -37.7] dr=1.95 t=30460.0ps kin=1.53 pot=21.52 Rg=34.799 SPS=1551
bl=2947 pos[1]=[-2.5 13.3 -39.7] dr=1.87 t=30470.0ps kin=1.54 pot=21.47 Rg=34.812 SPS=1630
bl=2948 pos[1]=[-5.4 14.0 -38.7] dr=1.99 t=30480.0ps kin=1.49 pot=21.51 Rg=35.016 SPS=1620
bl=2949 pos[1]=[-7.2 15.6 -41.9] dr=1.90 t=30490.0ps kin=1.51 pot=21.54 Rg=35.087 SPS=1619
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.75544342 -0.87282251 -1.545775 ] Rg = 35.086838
median bond size is 0.9698912128482162
three shortest/longest (<10)/ bonds are [0.88200919 0.88346098 0.88450131] [1.10151442 1.1034616 1.13450514]
95 percentile of distance to center is: 57.62431139708896
density of closest 95% monomers is: 0.001607227813984739
density of the core monomers is: 0.01129429760012804
min/median/mean/max coordinates are:
x: -30.70, 6.41, 8.76, 61.21
y: -39.26, -3.90, -0.87, 46.45
z: -42.25, 0.13, -1.55, 23.62
Statistics for velocities:
mean kinetic energy is: 1.5110801208845472 should be: 1.5
fastest particles are (in kT): [ 7.58670951 7.62435773 7.80496797 8.45713911 10.65803649]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.541681070243364
bl=2950 pos[1]=[-4.3 21.2 -43.1] dr=1.92 t=30500.0ps kin=1.52 pot=21.52 Rg=35.123 SPS=1575
bl=2951 pos[1]=[-5.1 21.2 -42.9] dr=1.89 t=30510.0ps kin=1.43 pot=21.50 Rg=35.168 SPS=1607
bl=2952 pos[1]=[-5.3 20.3 -41.5] dr=1.85 t=30520.0ps kin=1.45 pot=21.48 Rg=35.197 SPS=1605
bl=2953 pos[1]=[-5.9 18.6 -41.6] dr=1.95 t=30530.0ps kin=1.49 pot=21.52 Rg=35.232 SPS=1603
bl=2954 pos[1]=[-2.6 19.3 -40.9] dr=1.91 t=30540.0ps kin=1.52 pot=21.48 Rg=35.234 SPS=1604
bl=2955 pos[1]=[-3.4 19.3 -38.5] dr=1.92 t=30550.0ps kin=1.52 pot=21.51 Rg=35.196 SPS=1603
bl=2956 pos[1]=[-0.7 16.5 -37.5] dr=1.90 t=30560.0ps kin=1.46 pot=21.51 Rg=35.102 SPS=1611
bl=2957 pos[1]=[-2.6 15.8 -37.6] dr=1.85 t=30570.0ps kin=1.42 pot=21.54 Rg=35.066 SPS=1579
bl=2958 pos[1]=[-1.5 16.0 -36.0] dr=1.93 t=30580.0ps kin=1.51 pot=21.56 Rg=35.155 SPS=1668
bl=2959 pos[1]=[-2.2 15.6 -32.7] dr=1.93 t=30590.0ps kin=1.53 pot=21.52 Rg=35.291 SPS=1608
bl=2960 pos[1]=[-3.1 15.1 -32.6] dr=1.97 t=30600.0ps kin=1.48 pot=21.49 Rg=35.325 SPS=1623
bl=2961 pos[1]=[-2.7 15.8 -31.5] dr=1.94 t=30610.0ps kin=1.49 pot=21.52 Rg=35.289 SPS=1576
bl=2962 pos[1]=[-4.2 16.0 -30.1] dr=1.93 t=30620.0ps kin=1.52 pot=21.51 Rg=35.221 SPS=1590
bl=2963 pos[1]=[-2.7 14.8 -31.8] dr=1.96 t=30630.0ps kin=1.50 pot=21.51 Rg=35.265 SPS=1558
bl=2964 pos[1]=[-4.4 16.8 -30.6] dr=1.94 t=30640.0ps kin=1.54 pot=21.50 Rg=35.305 SPS=1608
bl=2965 pos[1]=[-7.3 16.3 -26.9] dr=1.93 t=30650.0ps kin=1.50 pot=21.51 Rg=35.299 SPS=1620
bl=2966 pos[1]=[-6.2 17.3 -26.8] dr=1.92 t=30660.0ps kin=1.53 pot=21.56 Rg=35.278 SPS=1591
bl=2967 pos[1]=[-7.9 17.0 -25.6] dr=1.90 t=30670.0ps kin=1.51 pot=21.50 Rg=35.281 SPS=1609
bl=2968 pos[1]=[-10.9 15.5 -25.6] dr=1.85 t=30680.0ps kin=1.48 pot=21.53 Rg=35.219 SPS=1562
bl=2969 pos[1]=[-8.6 17.2 -25.7] dr=1.95 t=30690.0ps kin=1.59 pot=21.51 Rg=35.193 SPS=1603
bl=2970 pos[1]=[-6.4 16.2 -28.7] dr=1.97 t=30700.0ps kin=1.49 pot=21.52 Rg=35.247 SPS=1583
bl=2971 pos[1]=[-8.7 19.1 -28.9] dr=1.99 t=30710.0ps kin=1.48 pot=21.50 Rg=35.213 SPS=1588
bl=2972 pos[1]=[-10.9 19.6 -28.2] dr=1.90 t=30720.0ps kin=1.48 pot=21.50 Rg=35.195 SPS=1593
bl=2973 pos[1]=[-11.8 18.2 -30.5] dr=1.91 t=30730.0ps kin=1.48 pot=21.50 Rg=35.196 SPS=1607
bl=2974 pos[1]=[-9.4 16.4 -31.2] dr=1.93 t=30740.0ps kin=1.46 pot=21.45 Rg=35.291 SPS=1635
bl=2975 pos[1]=[-7.5 18.3 -31.6] dr=1.95 t=30750.0ps kin=1.48 pot=21.51 Rg=35.340 SPS=1601
bl=2976 pos[1]=[-9.7 17.6 -29.7] dr=1.90 t=30760.0ps kin=1.47 pot=21.51 Rg=35.262 SPS=1656
bl=2977 pos[1]=[-13.7 15.1 -30.7] dr=1.91 t=30770.0ps kin=1.47 pot=21.49 Rg=35.217 SPS=1596
bl=2978 pos[1]=[-12.2 14.3 -30.4] dr=1.88 t=30780.0ps kin=1.44 pot=21.49 Rg=35.194 SPS=1589
bl=2979 pos[1]=[-9.5 16.2 -30.9] dr=1.94 t=30790.0ps kin=1.45 pot=21.52 Rg=35.196 SPS=1605
bl=2980 pos[1]=[-7.2 18.5 -31.8] dr=1.86 t=30800.0ps kin=1.49 pot=21.51 Rg=35.211 SPS=1598
bl=2981 pos[1]=[-6.4 17.7 -31.4] dr=1.92 t=30810.0ps kin=1.48 pot=21.52 Rg=35.121 SPS=1596
bl=2982 pos[1]=[-9.4 20.1 -32.3] dr=1.89 t=30820.0ps kin=1.48 pot=21.53 Rg=35.098 SPS=1603
bl=2983 pos[1]=[-9.2 24.7 -30.7] dr=1.97 t=30830.0ps kin=1.53 pot=21.51 Rg=35.108 SPS=1577
bl=2984 pos[1]=[-6.3 23.2 -30.2] dr=1.97 t=30840.0ps kin=1.49 pot=21.52 Rg=35.065 SPS=1577
bl=2985 pos[1]=[-3.9 21.8 -32.3] dr=1.96 t=30850.0ps kin=1.52 pot=21.52 Rg=34.910 SPS=1592
bl=2986 pos[1]=[-4.9 22.5 -31.1] dr=1.86 t=30860.0ps kin=1.51 pot=21.52 Rg=34.886 SPS=1606
bl=2987 pos[1]=[-6.2 23.5 -28.5] dr=1.90 t=30870.0ps kin=1.51 pot=21.52 Rg=34.774 SPS=1582
bl=2988 pos[1]=[-5.8 23.6 -29.5] dr=1.86 t=30880.0ps kin=1.46 pot=21.53 Rg=34.670 SPS=1605
bl=2989 pos[1]=[-3.3 22.0 -32.6] dr=1.90 t=30890.0ps kin=1.46 pot=21.52 Rg=34.554 SPS=1606
bl=2990 pos[1]=[-4.4 21.2 -32.7] dr=1.94 t=30900.0ps kin=1.49 pot=21.51 Rg=34.454 SPS=1581
bl=2991 pos[1]=[-4.5 21.2 -31.6] dr=1.93 t=30910.0ps kin=1.49 pot=21.47 Rg=34.357 SPS=1526
bl=2992 pos[1]=[-6.3 21.8 -33.5] dr=2.01 t=30920.0ps kin=1.53 pot=21.50 Rg=34.409 SPS=1596
bl=2993 pos[1]=[-6.5 23.5 -31.6] dr=2.01 t=30930.0ps kin=1.49 pot=21.57 Rg=34.583 SPS=1612
bl=2994 pos[1]=[-8.0 24.1 -31.9] dr=1.98 t=30940.0ps kin=1.49 pot=21.51 Rg=34.716 SPS=1623
bl=2995 pos[1]=[-7.8 21.9 -34.3] dr=1.95 t=30950.0ps kin=1.46 pot=21.56 Rg=34.696 SPS=1644
bl=2996 pos[1]=[-8.5 20.5 -31.7] dr=1.89 t=30960.0ps kin=1.50 pot=21.53 Rg=34.555 SPS=1617
bl=2997 pos[1]=[-10.7 20.3 -31.9] dr=1.88 t=30970.0ps kin=1.51 pot=21.51 Rg=34.568 SPS=1626
bl=2998 pos[1]=[-10.6 23.8 -32.4] dr=1.84 t=30980.0ps kin=1.48 pot=21.52 Rg=34.533 SPS=1614
bl=2999 pos[1]=[-11.6 25.6 -33.4] dr=1.87 t=30990.0ps kin=1.48 pot=21.56 Rg=34.579 SPS=1608
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.25623387 -0.99790497 -2.13693796] Rg = 34.5793
median bond size is 0.9660593090052557
three shortest/longest (<10)/ bonds are [0.88465863 0.88799465 0.88986383] [1.08520563 1.08827136 1.11243968]
95 percentile of distance to center is: 56.8206808346946
density of closest 95% monomers is: 0.001676391252132816
density of the core monomers is: 0.021956132144159278
min/median/mean/max coordinates are:
x: -28.51, 4.73, 9.26, 63.08
y: -39.89, -1.87, -1.00, 41.33
z: -33.46, -0.45, -2.14, 18.54
Statistics for velocities:
mean kinetic energy is: 1.4861130847399417 should be: 1.5
fastest particles are (in kT): [7.49445651 7.76329223 7.98747458 8.80541051 9.44733492]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.564916920169615
bl=3000 pos[1]=[-13.1 23.8 -33.2] dr=1.90 t=31000.0ps kin=1.49 pot=21.49 Rg=34.715 SPS=1596
bl=3001 pos[1]=[-9.5 25.2 -34.2] dr=1.90 t=31010.0ps kin=1.50 pot=21.53 Rg=34.773 SPS=1583
bl=3002 pos[1]=[-7.3 25.3 -34.8] dr=1.88 t=31020.0ps kin=1.44 pot=21.48 Rg=34.810 SPS=1628
bl=3003 pos[1]=[-5.7 26.2 -33.7] dr=1.92 t=31030.0ps kin=1.47 pot=21.55 Rg=34.917 SPS=1588
bl=3004 pos[1]=[-5.4 25.5 -33.7] dr=1.93 t=31040.0ps kin=1.46 pot=21.52 Rg=34.879 SPS=1629
bl=3005 pos[1]=[-5.1 22.9 -31.9] dr=1.96 t=31050.0ps kin=1.49 pot=21.46 Rg=34.906 SPS=1601
bl=3006 pos[1]=[-7.3 22.1 -30.5] dr=1.89 t=31060.0ps kin=1.46 pot=21.49 Rg=34.897 SPS=1584
bl=3007 pos[1]=[-8.7 22.0 -29.6] dr=1.90 t=31070.0ps kin=1.48 pot=21.53 Rg=34.872 SPS=1583
bl=3008 pos[1]=[-7.5 23.1 -27.9] dr=1.88 t=31080.0ps kin=1.46 pot=21.51 Rg=34.761 SPS=1599
bl=3009 pos[1]=[-6.6 21.7 -27.9] dr=1.86 t=31090.0ps kin=1.50 pot=21.52 Rg=34.702 SPS=1605
bl=3010 pos[1]=[-6.7 20.5 -27.8] dr=1.90 t=31100.0ps kin=1.46 pot=21.47 Rg=34.684 SPS=1607
bl=3011 pos[1]=[-6.6 19.9 -28.9] dr=1.88 t=31110.0ps kin=1.46 pot=21.47 Rg=34.618 SPS=1604
bl=3012 pos[1]=[-8.4 16.9 -31.6] dr=1.87 t=31120.0ps kin=1.46 pot=21.48 Rg=34.610 SPS=1598
bl=3013 pos[1]=[-11.3 18.0 -31.3] dr=1.95 t=31130.0ps kin=1.54 pot=21.47 Rg=34.677 SPS=1575
bl=3014 pos[1]=[-12.7 19.3 -32.0] dr=1.99 t=31140.0ps kin=1.53 pot=21.49 Rg=34.648 SPS=1504
bl=3015 pos[1]=[-13.3 21.0 -31.6] dr=1.92 t=31150.0ps kin=1.50 pot=21.54 Rg=34.662 SPS=1609
bl=3016 pos[1]=[-12.2 21.5 -32.6] dr=1.96 t=31160.0ps kin=1.54 pot=21.52 Rg=34.754 SPS=1568
bl=3017 pos[1]=[-12.1 23.1 -32.6] dr=1.86 t=31170.0ps kin=1.46 pot=21.54 Rg=34.895 SPS=1622
bl=3018 pos[1]=[-10.3 23.7 -34.3] dr=1.97 t=31180.0ps kin=1.50 pot=21.52 Rg=34.945 SPS=1608
bl=3019 pos[1]=[-10.7 22.8 -33.5] dr=1.93 t=31190.0ps kin=1.56 pot=21.49 Rg=34.946 SPS=1530
bl=3020 pos[1]=[-11.3 22.8 -34.9] dr=1.90 t=31200.0ps kin=1.50 pot=21.52 Rg=34.894 SPS=1558
bl=3021 pos[1]=[-10.9 22.1 -32.7] dr=1.93 t=31210.0ps kin=1.49 pot=21.50 Rg=34.867 SPS=1603
bl=3022 pos[1]=[-11.4 24.9 -32.2] dr=1.97 t=31220.0ps kin=1.53 pot=21.52 Rg=34.800 SPS=1614
bl=3023 pos[1]=[-10.9 23.9 -32.6] dr=1.96 t=31230.0ps kin=1.50 pot=21.51 Rg=34.843 SPS=1621
bl=3024 pos[1]=[-12.0 24.2 -31.0] dr=1.91 t=31240.0ps kin=1.50 pot=21.52 Rg=34.920 SPS=1576
bl=3025 pos[1]=[-10.2 24.8 -31.7] dr=1.93 t=31250.0ps kin=1.53 pot=21.47 Rg=34.974 SPS=1589
bl=3026 pos[1]=[-7.8 24.3 -32.7] dr=1.96 t=31260.0ps kin=1.51 pot=21.53 Rg=34.933 SPS=1564
bl=3027 pos[1]=[-6.8 24.6 -34.4] dr=1.92 t=31270.0ps kin=1.54 pot=21.50 Rg=34.888 SPS=1567
bl=3028 pos[1]=[-7.7 24.5 -38.6] dr=1.86 t=31280.0ps kin=1.49 pot=21.51 Rg=34.824 SPS=1574
bl=3029 pos[1]=[-8.4 26.9 -41.1] dr=1.93 t=31290.0ps kin=1.54 pot=21.53 Rg=34.800 SPS=1595
bl=3030 pos[1]=[-6.5 26.2 -41.6] dr=1.83 t=31300.0ps kin=1.51 pot=21.53 Rg=34.868 SPS=1585
bl=3031 pos[1]=[-3.4 25.0 -39.6] dr=1.95 t=31310.0ps kin=1.56 pot=21.55 Rg=34.881 SPS=1571
bl=3032 pos[1]=[-3.0 26.3 -37.0] dr=1.89 t=31320.0ps kin=1.54 pot=21.50 Rg=34.832 SPS=1594
bl=3033 pos[1]=[-2.6 25.0 -36.2] dr=1.88 t=31330.0ps kin=1.47 pot=21.54 Rg=34.817 SPS=1599
bl=3034 pos[1]=[-1.6 25.7 -38.2] dr=1.91 t=31340.0ps kin=1.47 pot=21.55 Rg=34.872 SPS=1592
bl=3035 pos[1]=[-0.8 25.0 -37.7] dr=1.89 t=31350.0ps kin=1.48 pot=21.53 Rg=34.956 SPS=1586
bl=3036 pos[1]=[-2.7 22.7 -37.1] dr=1.91 t=31360.0ps kin=1.46 pot=21.53 Rg=35.044 SPS=1510
bl=3037 pos[1]=[-3.5 19.6 -36.5] dr=1.93 t=31370.0ps kin=1.49 pot=21.47 Rg=34.973 SPS=1560
bl=3038 pos[1]=[-1.0 21.1 -35.1] dr=1.94 t=31380.0ps kin=1.47 pot=21.49 Rg=34.999 SPS=1565
bl=3039 pos[1]=[-1.5 25.8 -33.8] dr=1.83 t=31390.0ps kin=1.46 pot=21.51 Rg=34.960 SPS=1563
bl=3040 pos[1]=[-5.2 28.6 -36.0] dr=1.97 t=31400.0ps kin=1.48 pot=21.48 Rg=34.894 SPS=1567
bl=3041 pos[1]=[-6.6 30.5 -36.5] dr=1.89 t=31410.0ps kin=1.51 pot=21.50 Rg=34.886 SPS=1588
bl=3042 pos[1]=[-3.5 29.2 -38.0] dr=1.92 t=31420.0ps kin=1.51 pot=21.49 Rg=34.974 SPS=1589
bl=3043 pos[1]=[-2.9 27.0 -35.1] dr=1.99 t=31430.0ps kin=1.49 pot=21.49 Rg=35.069 SPS=1548
bl=3044 pos[1]=[0.4 25.1 -37.1] dr=1.96 t=31440.0ps kin=1.45 pot=21.52 Rg=35.154 SPS=1607
bl=3045 pos[1]=[-0.2 25.1 -36.4] dr=1.91 t=31450.0ps kin=1.50 pot=21.48 Rg=35.147 SPS=1615
bl=3046 pos[1]=[-0.2 21.3 -36.2] dr=1.88 t=31460.0ps kin=1.50 pot=21.49 Rg=35.093 SPS=1609
bl=3047 pos[1]=[-1.0 21.5 -36.8] dr=1.88 t=31470.0ps kin=1.49 pot=21.52 Rg=35.038 SPS=1572
bl=3048 pos[1]=[-0.3 22.1 -36.4] dr=1.92 t=31480.0ps kin=1.49 pot=21.52 Rg=34.992 SPS=1650
bl=3049 pos[1]=[-2.6 21.2 -34.9] dr=1.94 t=31490.0ps kin=1.47 pot=21.51 Rg=35.010 SPS=1561
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.69317133 0.28606224 -2.87016895] Rg = 35.010353
median bond size is 0.96711766885231
three shortest/longest (<10)/ bonds are [0.88450474 0.88806896 0.88909263] [1.08442896 1.09254935 1.12304674]
95 percentile of distance to center is: 56.21415123438257
density of closest 95% monomers is: 0.0017312417320209004
density of the core monomers is: 0.004249658969302425
min/median/mean/max coordinates are:
x: -35.18, 4.70, 9.69, 61.99
y: -37.16, 0.60, 0.29, 37.02
z: -36.73, -0.33, -2.87, 19.42
Statistics for velocities:
mean kinetic energy is: 1.4725362692490849 should be: 1.5
fastest particles are (in kT): [6.03027717 6.04687528 6.13867374 6.50434446 6.91194155]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.506763919616517
bl=3050 pos[1]=[-3.6 21.1 -34.1] dr=1.90 t=31500.0ps kin=1.44 pot=21.48 Rg=35.010 SPS=1594
bl=3051 pos[1]=[-5.5 22.3 -33.5] dr=1.90 t=31510.0ps kin=1.46 pot=21.48 Rg=35.032 SPS=1584
bl=3052 pos[1]=[-6.5 23.5 -32.7] dr=1.92 t=31520.0ps kin=1.53 pot=21.48 Rg=35.043 SPS=1591
bl=3053 pos[1]=[-5.9 24.6 -32.3] dr=1.91 t=31530.0ps kin=1.46 pot=21.52 Rg=35.002 SPS=1596
bl=3054 pos[1]=[-4.5 25.7 -33.0] dr=1.96 t=31540.0ps kin=1.47 pot=21.52 Rg=34.843 SPS=1563
bl=3055 pos[1]=[-2.3 26.4 -33.4] dr=1.93 t=31550.0ps kin=1.48 pot=21.50 Rg=34.716 SPS=1592
bl=3056 pos[1]=[-0.1 27.0 -34.3] dr=1.93 t=31560.0ps kin=1.52 pot=21.51 Rg=34.562 SPS=1563
bl=3057 pos[1]=[-0.8 26.8 -38.4] dr=2.01 t=31570.0ps kin=1.54 pot=21.48 Rg=34.471 SPS=1584
bl=3058 pos[1]=[0.7 22.6 -38.0] dr=1.89 t=31580.0ps kin=1.53 pot=21.50 Rg=34.408 SPS=1577
bl=3059 pos[1]=[1.7 21.6 -37.2] dr=1.91 t=31590.0ps kin=1.48 pot=21.51 Rg=34.355 SPS=1557
bl=3060 pos[1]=[1.6 23.1 -38.7] dr=1.93 t=31600.0ps kin=1.53 pot=21.50 Rg=34.256 SPS=1554
bl=3061 pos[1]=[3.6 23.3 -38.8] dr=1.86 t=31610.0ps kin=1.49 pot=21.53 Rg=34.249 SPS=1582
bl=3062 pos[1]=[4.4 22.1 -37.7] dr=1.84 t=31620.0ps kin=1.51 pot=21.53 Rg=34.218 SPS=1568
bl=3063 pos[1]=[6.9 23.0 -35.4] dr=1.88 t=31630.0ps kin=1.54 pot=21.53 Rg=34.128 SPS=1562
bl=3064 pos[1]=[6.6 22.9 -31.5] dr=1.94 t=31640.0ps kin=1.48 pot=21.52 Rg=34.100 SPS=1560
bl=3065 pos[1]=[8.3 22.3 -30.5] dr=1.90 t=31650.0ps kin=1.48 pot=21.56 Rg=34.146 SPS=1586
bl=3066 pos[1]=[6.0 23.7 -30.7] dr=1.92 t=31660.0ps kin=1.50 pot=21.50 Rg=34.203 SPS=1583
bl=3067 pos[1]=[3.2 23.4 -30.6] dr=1.90 t=31670.0ps kin=1.47 pot=21.52 Rg=34.233 SPS=1567
bl=3068 pos[1]=[1.7 23.3 -29.0] dr=1.93 t=31680.0ps kin=1.50 pot=21.58 Rg=34.121 SPS=1614
bl=3069 pos[1]=[1.9 23.8 -28.0] dr=1.95 t=31690.0ps kin=1.51 pot=21.54 Rg=33.856 SPS=1577
bl=3070 pos[1]=[4.9 24.4 -27.4] dr=1.89 t=31700.0ps kin=1.50 pot=21.53 Rg=33.706 SPS=1619
bl=3071 pos[1]=[5.4 25.2 -24.0] dr=1.87 t=31710.0ps kin=1.50 pot=21.49 Rg=33.757 SPS=1600
bl=3072 pos[1]=[4.4 22.8 -22.5] dr=1.88 t=31720.0ps kin=1.51 pot=21.52 Rg=33.788 SPS=1568
bl=3073 pos[1]=[1.5 22.1 -24.4] dr=1.96 t=31730.0ps kin=1.50 pot=21.56 Rg=33.863 SPS=1567
bl=3074 pos[1]=[3.4 23.8 -25.2] dr=1.99 t=31740.0ps kin=1.51 pot=21.49 Rg=33.942 SPS=1571
bl=3075 pos[1]=[0.0 26.6 -24.5] dr=1.95 t=31750.0ps kin=1.50 pot=21.50 Rg=33.947 SPS=1558
bl=3076 pos[1]=[-2.6 27.8 -26.0] dr=1.91 t=31760.0ps kin=1.47 pot=21.45 Rg=33.946 SPS=1582
bl=3077 pos[1]=[0.7 25.9 -28.5] dr=1.92 t=31770.0ps kin=1.49 pot=21.49 Rg=33.897 SPS=1592
bl=3078 pos[1]=[1.9 26.2 -25.9] dr=1.94 t=31780.0ps kin=1.56 pot=21.50 Rg=33.871 SPS=1607
bl=3079 pos[1]=[3.0 29.3 -25.3] dr=1.97 t=31790.0ps kin=1.55 pot=21.55 Rg=33.914 SPS=1545
bl=3080 pos[1]=[5.1 29.4 -25.8] dr=1.94 t=31800.0ps kin=1.55 pot=21.52 Rg=33.959 SPS=1586
bl=3081 pos[1]=[5.6 25.3 -27.1] dr=1.93 t=31810.0ps kin=1.48 pot=21.53 Rg=34.016 SPS=1581
bl=3082 pos[1]=[5.5 26.3 -26.3] dr=1.94 t=31820.0ps kin=1.47 pot=21.47 Rg=34.037 SPS=1569
bl=3083 pos[1]=[6.3 27.2 -25.5] dr=1.87 t=31830.0ps kin=1.48 pot=21.51 Rg=34.084 SPS=1549
bl=3084 pos[1]=[4.9 26.8 -24.5] dr=1.89 t=31840.0ps kin=1.54 pot=21.54 Rg=34.067 SPS=1578
bl=3085 pos[1]=[4.1 24.7 -26.0] dr=1.92 t=31850.0ps kin=1.51 pot=21.54 Rg=34.135 SPS=1549
bl=3086 pos[1]=[7.2 25.5 -26.2] dr=1.84 t=31860.0ps kin=1.47 pot=21.49 Rg=34.056 SPS=1565
bl=3087 pos[1]=[8.2 29.2 -27.6] dr=1.85 t=31870.0ps kin=1.50 pot=21.46 Rg=34.129 SPS=1584
bl=3088 pos[1]=[4.3 31.6 -25.9] dr=1.94 t=31880.0ps kin=1.56 pot=21.52 Rg=34.217 SPS=1556
bl=3089 pos[1]=[3.2 28.2 -25.7] dr=1.99 t=31890.0ps kin=1.56 pot=21.50 Rg=34.283 SPS=1593
bl=3090 pos[1]=[5.4 27.8 -26.7] dr=1.99 t=31900.0ps kin=1.50 pot=21.54 Rg=34.213 SPS=1578
bl=3091 pos[1]=[3.9 29.1 -27.5] dr=1.92 t=31910.0ps kin=1.50 pot=21.55 Rg=34.167 SPS=1581
bl=3092 pos[1]=[5.0 32.1 -27.8] dr=1.90 t=31920.0ps kin=1.49 pot=21.51 Rg=34.088 SPS=1567
bl=3093 pos[1]=[6.1 32.3 -26.7] dr=1.89 t=31930.0ps kin=1.51 pot=21.52 Rg=34.098 SPS=1596
bl=3094 pos[1]=[3.5 31.5 -28.1] dr=1.93 t=31940.0ps kin=1.52 pot=21.50 Rg=34.188 SPS=1599
bl=3095 pos[1]=[3.9 30.6 -28.5] dr=1.90 t=31950.0ps kin=1.47 pot=21.53 Rg=34.245 SPS=1564
bl=3096 pos[1]=[5.6 30.7 -28.9] dr=1.87 t=31960.0ps kin=1.51 pot=21.50 Rg=34.328 SPS=1542
bl=3097 pos[1]=[6.4 31.3 -33.2] dr=1.90 t=31970.0ps kin=1.48 pot=21.54 Rg=34.359 SPS=1609
bl=3098 pos[1]=[3.1 28.5 -32.7] dr=1.87 t=31980.0ps kin=1.54 pot=21.55 Rg=34.474 SPS=1570
bl=3099 pos[1]=[1.3 29.3 -31.8] dr=1.90 t=31990.0ps kin=1.54 pot=21.55 Rg=34.687 SPS=1589
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.23900601 1.98255663 -3.35140101] Rg = 34.687016
median bond size is 0.969207720141026
three shortest/longest (<10)/ bonds are [0.88351286 0.88405923 0.88710107] [1.0867504 1.1191916 1.13222857]
95 percentile of distance to center is: 54.492842797161835
density of closest 95% monomers is: 0.0019005368333368327
density of the core monomers is: 0.008741405944823555
min/median/mean/max coordinates are:
x: -31.61, 4.33, 10.24, 67.46
y: -39.97, 2.39, 1.98, 41.56
z: -35.10, -2.58, -3.35, 15.27
Statistics for velocities:
mean kinetic energy is: 1.5484839965420387 should be: 1.5
fastest particles are (in kT): [6.52941093 6.6755667 6.81543635 7.21463485 7.8624788 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.549631844579647
bl=3100 pos[1]=[3.8 31.6 -32.6] dr=1.97 t=32000.0ps kin=1.51 pot=21.49 Rg=34.815 SPS=1566
bl=3101 pos[1]=[2.8 34.7 -31.3] dr=2.03 t=32010.0ps kin=1.60 pot=21.49 Rg=34.865 SPS=1584
bl=3102 pos[1]=[4.1 37.0 -29.4] dr=2.00 t=32020.0ps kin=1.56 pot=21.50 Rg=34.931 SPS=1583
bl=3103 pos[1]=[5.7 37.5 -31.6] dr=1.94 t=32030.0ps kin=1.46 pot=21.47 Rg=34.894 SPS=1562
bl=3104 pos[1]=[5.0 35.3 -32.2] dr=1.94 t=32040.0ps kin=1.45 pot=21.49 Rg=34.883 SPS=1606
bl=3105 pos[1]=[5.2 34.8 -31.3] dr=1.89 t=32050.0ps kin=1.53 pot=21.49 Rg=34.895 SPS=1627
bl=3106 pos[1]=[2.9 33.6 -31.6] dr=1.92 t=32060.0ps kin=1.48 pot=21.48 Rg=34.886 SPS=1607
bl=3107 pos[1]=[6.1 37.1 -34.0] dr=1.96 t=32070.0ps kin=1.55 pot=21.46 Rg=34.890 SPS=1597
bl=3108 pos[1]=[6.0 38.6 -33.2] dr=1.97 t=32080.0ps kin=1.49 pot=21.51 Rg=34.901 SPS=1610
bl=3109 pos[1]=[3.5 37.0 -35.4] dr=1.85 t=32090.0ps kin=1.52 pot=21.54 Rg=34.893 SPS=1596
bl=3110 pos[1]=[0.5 37.7 -34.8] dr=1.92 t=32100.0ps kin=1.56 pot=21.53 Rg=34.827 SPS=1600
bl=3111 pos[1]=[-0.5 35.9 -34.2] dr=1.93 t=32110.0ps kin=1.49 pot=21.52 Rg=34.762 SPS=1627
bl=3112 pos[1]=[0.1 32.2 -33.9] dr=1.92 t=32120.0ps kin=1.54 pot=21.51 Rg=34.657 SPS=1700
bl=3113 pos[1]=[0.1 30.4 -31.2] dr=1.96 t=32130.0ps kin=1.53 pot=21.51 Rg=34.609 SPS=1710
bl=3114 pos[1]=[2.0 32.2 -31.1] dr=2.01 t=32140.0ps kin=1.51 pot=21.56 Rg=34.547 SPS=1702
bl=3115 pos[1]=[3.5 33.0 -32.6] dr=1.91 t=32150.0ps kin=1.48 pot=21.48 Rg=34.510 SPS=1663
bl=3116 pos[1]=[-0.2 33.6 -33.8] dr=1.98 t=32160.0ps kin=1.55 pot=21.52 Rg=34.546 SPS=1662
bl=3117 pos[1]=[-0.1 31.7 -32.1] dr=1.85 t=32170.0ps kin=1.50 pot=21.52 Rg=34.553 SPS=1658
bl=3118 pos[1]=[1.9 32.5 -33.3] dr=1.86 t=32180.0ps kin=1.46 pot=21.50 Rg=34.591 SPS=1674
bl=3119 pos[1]=[1.8 34.8 -32.1] dr=1.89 t=32190.0ps kin=1.51 pot=21.51 Rg=34.618 SPS=1562
bl=3120 pos[1]=[0.2 36.5 -35.6] dr=1.90 t=32200.0ps kin=1.48 pot=21.51 Rg=34.535 SPS=1747
bl=3121 pos[1]=[-0.7 37.1 -36.2] dr=1.87 t=32210.0ps kin=1.45 pot=21.50 Rg=34.483 SPS=1694
bl=3122 pos[1]=[-0.1 37.5 -35.8] dr=1.83 t=32220.0ps kin=1.45 pot=21.55 Rg=34.479 SPS=1631
bl=3123 pos[1]=[-0.7 38.6 -37.2] dr=1.91 t=32230.0ps kin=1.49 pot=21.53 Rg=34.539 SPS=1614
bl=3124 pos[1]=[-0.5 35.9 -36.4] dr=1.87 t=32240.0ps kin=1.50 pot=21.54 Rg=34.556 SPS=1613
bl=3125 pos[1]=[-1.4 37.1 -38.1] dr=1.99 t=32250.0ps kin=1.46 pot=21.53 Rg=34.549 SPS=1616
bl=3126 pos[1]=[-0.1 36.4 -38.5] dr=1.96 t=32260.0ps kin=1.51 pot=21.47 Rg=34.631 SPS=1614
bl=3127 pos[1]=[-2.9 34.8 -36.1] dr=1.92 t=32270.0ps kin=1.51 pot=21.52 Rg=34.721 SPS=1613
bl=3128 pos[1]=[-3.7 34.9 -34.6] dr=1.99 t=32280.0ps kin=1.49 pot=21.49 Rg=34.766 SPS=1610
bl=3129 pos[1]=[-2.5 37.0 -32.7] dr=1.94 t=32290.0ps kin=1.47 pot=21.52 Rg=34.802 SPS=1566
bl=3130 pos[1]=[-2.8 35.8 -31.1] dr=1.88 t=32300.0ps kin=1.55 pot=21.49 Rg=34.877 SPS=1626
bl=3131 pos[1]=[-2.1 36.4 -33.2] dr=1.95 t=32310.0ps kin=1.47 pot=21.51 Rg=34.926 SPS=1664
bl=3132 pos[1]=[-2.2 35.2 -35.8] dr=1.95 t=32320.0ps kin=1.53 pot=21.49 Rg=34.815 SPS=1645
bl=3133 pos[1]=[-2.6 35.0 -36.7] dr=2.02 t=32330.0ps kin=1.54 pot=21.52 Rg=34.761 SPS=1570
bl=3134 pos[1]=[-1.5 33.2 -36.9] dr=1.94 t=32340.0ps kin=1.50 pot=21.54 Rg=34.720 SPS=1623
bl=3135 pos[1]=[0.6 33.6 -38.5] dr=1.92 t=32350.0ps kin=1.46 pot=21.54 Rg=34.668 SPS=1590
bl=3136 pos[1]=[1.5 32.6 -39.9] dr=1.88 t=32360.0ps kin=1.50 pot=21.47 Rg=34.622 SPS=1575
bl=3137 pos[1]=[-1.0 32.4 -40.4] dr=1.91 t=32370.0ps kin=1.48 pot=21.48 Rg=34.560 SPS=1618
bl=3138 pos[1]=[-3.4 32.4 -40.2] dr=1.97 t=32380.0ps kin=1.49 pot=21.46 Rg=34.529 SPS=1626
bl=3139 pos[1]=[-2.4 34.7 -38.3] dr=1.97 t=32390.0ps kin=1.45 pot=21.48 Rg=34.529 SPS=1607
bl=3140 pos[1]=[-1.8 37.2 -40.6] dr=1.94 t=32400.0ps kin=1.48 pot=21.48 Rg=34.456 SPS=1606
bl=3141 pos[1]=[-1.2 35.0 -41.6] dr=1.91 t=32410.0ps kin=1.44 pot=21.51 Rg=34.351 SPS=1594
bl=3142 pos[1]=[-1.2 34.7 -44.9] dr=1.92 t=32420.0ps kin=1.48 pot=21.50 Rg=34.281 SPS=1571
bl=3143 pos[1]=[-1.1 37.0 -45.8] dr=1.98 t=32430.0ps kin=1.50 pot=21.51 Rg=34.194 SPS=1620
bl=3144 pos[1]=[-1.6 38.7 -43.8] dr=1.92 t=32440.0ps kin=1.57 pot=21.52 Rg=34.107 SPS=1566
bl=3145 pos[1]=[-0.9 39.6 -47.2] dr=1.95 t=32450.0ps kin=1.51 pot=21.55 Rg=33.964 SPS=1548
bl=3146 pos[1]=[0.1 40.1 -45.2] dr=1.98 t=32460.0ps kin=1.47 pot=21.49 Rg=33.837 SPS=1587
bl=3147 pos[1]=[-1.6 39.6 -45.4] dr=1.88 t=32470.0ps kin=1.44 pot=21.52 Rg=33.676 SPS=1586
bl=3148 pos[1]=[-3.4 36.2 -44.8] dr=1.84 t=32480.0ps kin=1.48 pot=21.48 Rg=33.659 SPS=1588
bl=3149 pos[1]=[-2.2 35.1 -43.1] dr=1.90 t=32490.0ps kin=1.54 pot=21.54 Rg=33.652 SPS=1510
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.00942357 1.60833606 -4.83855582] Rg = 33.652397
median bond size is 0.9685124581399633
three shortest/longest (<10)/ bonds are [0.8908627 0.89164586 0.89378606] [1.08976201 1.09428493 1.14469839]
95 percentile of distance to center is: 54.591468407637535
density of closest 95% monomers is: 0.0018902548324754775
density of the core monomers is: 0.009089953406178153
min/median/mean/max coordinates are:
x: -31.66, 7.24, 11.01, 63.82
y: -40.60, 2.98, 1.61, 37.29
z: -43.87, -2.01, -4.84, 13.65
Statistics for velocities:
mean kinetic energy is: 1.5395487013299651 should be: 1.5
fastest particles are (in kT): [ 6.76524954 7.03518278 7.31586685 7.78049963 10.56500123]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.535275799686577
bl=3150 pos[1]=[0.8 33.4 -41.1] dr=1.93 t=32500.0ps kin=1.53 pot=21.52 Rg=33.743 SPS=1568
bl=3151 pos[1]=[1.6 31.1 -42.6] dr=1.84 t=32510.0ps kin=1.51 pot=21.50 Rg=33.691 SPS=1596
bl=3152 pos[1]=[-0.9 33.8 -45.5] dr=2.00 t=32520.0ps kin=1.49 pot=21.49 Rg=33.767 SPS=1594
bl=3153 pos[1]=[2.0 36.1 -46.2] dr=1.93 t=32530.0ps kin=1.50 pot=21.47 Rg=33.689 SPS=1581
bl=3154 pos[1]=[3.5 37.1 -46.7] dr=1.87 t=32540.0ps kin=1.51 pot=21.51 Rg=33.671 SPS=1574
bl=3155 pos[1]=[4.0 36.9 -46.4] dr=1.91 t=32550.0ps kin=1.58 pot=21.50 Rg=33.758 SPS=1577
bl=3156 pos[1]=[2.3 37.1 -46.5] dr=2.00 t=32560.0ps kin=1.54 pot=21.53 Rg=33.816 SPS=1577
bl=3157 pos[1]=[0.7 34.5 -45.7] dr=1.96 t=32570.0ps kin=1.55 pot=21.53 Rg=33.849 SPS=1590
bl=3158 pos[1]=[0.0 35.4 -42.8] dr=1.93 t=32580.0ps kin=1.49 pot=21.53 Rg=33.913 SPS=1597
bl=3159 pos[1]=[-1.6 33.6 -38.9] dr=1.95 t=32590.0ps kin=1.51 pot=21.48 Rg=34.022 SPS=1589
bl=3160 pos[1]=[1.0 34.9 -36.6] dr=1.94 t=32600.0ps kin=1.46 pot=21.46 Rg=34.131 SPS=1614
bl=3161 pos[1]=[1.0 33.7 -37.3] dr=1.90 t=32610.0ps kin=1.49 pot=21.47 Rg=34.272 SPS=1636
bl=3162 pos[1]=[0.6 32.2 -36.7] dr=1.89 t=32620.0ps kin=1.49 pot=21.52 Rg=34.298 SPS=1586
bl=3163 pos[1]=[-0.6 31.5 -37.3] dr=2.04 t=32630.0ps kin=1.51 pot=21.57 Rg=34.240 SPS=1601
bl=3164 pos[1]=[-2.1 30.5 -41.8] dr=1.91 t=32640.0ps kin=1.50 pot=21.51 Rg=34.128 SPS=1561
bl=3165 pos[1]=[-2.3 28.6 -43.5] dr=1.99 t=32650.0ps kin=1.53 pot=21.50 Rg=34.090 SPS=1596
bl=3166 pos[1]=[-3.7 26.0 -46.0] dr=1.97 t=32660.0ps kin=1.55 pot=21.49 Rg=34.075 SPS=1569
bl=3167 pos[1]=[-3.5 28.4 -47.1] dr=2.02 t=32670.0ps kin=1.54 pot=21.50 Rg=34.098 SPS=1564
bl=3168 pos[1]=[-2.0 26.4 -49.9] dr=1.96 t=32680.0ps kin=1.49 pot=21.55 Rg=34.127 SPS=1588
bl=3169 pos[1]=[-0.9 24.6 -49.2] dr=1.99 t=32690.0ps kin=1.51 pot=21.53 Rg=34.157 SPS=1608
bl=3170 pos[1]=[-0.8 25.7 -49.9] dr=1.92 t=32700.0ps kin=1.59 pot=21.57 Rg=34.209 SPS=1611
bl=3171 pos[1]=[-1.4 28.8 -49.2] dr=1.99 t=32710.0ps kin=1.52 pot=21.55 Rg=34.207 SPS=1602
bl=3172 pos[1]=[-2.4 32.3 -48.7] dr=1.91 t=32720.0ps kin=1.53 pot=21.52 Rg=34.279 SPS=1603
bl=3173 pos[1]=[-0.9 33.3 -49.7] dr=1.90 t=32730.0ps kin=1.50 pot=21.55 Rg=34.286 SPS=1591
bl=3174 pos[1]=[1.5 32.2 -49.1] dr=1.97 t=32740.0ps kin=1.49 pot=21.48 Rg=34.395 SPS=1580
bl=3175 pos[1]=[2.8 30.7 -50.6] dr=1.92 t=32750.0ps kin=1.49 pot=21.46 Rg=34.611 SPS=1604
bl=3176 pos[1]=[2.6 30.7 -51.2] dr=1.92 t=32760.0ps kin=1.46 pot=21.57 Rg=34.709 SPS=1603
bl=3177 pos[1]=[3.2 31.3 -48.4] dr=1.91 t=32770.0ps kin=1.56 pot=21.54 Rg=34.678 SPS=1611
bl=3178 pos[1]=[5.3 32.6 -49.8] dr=1.95 t=32780.0ps kin=1.54 pot=21.50 Rg=34.673 SPS=1603
bl=3179 pos[1]=[3.2 33.0 -48.8] dr=1.90 t=32790.0ps kin=1.46 pot=21.51 Rg=34.728 SPS=1526
bl=3180 pos[1]=[6.4 34.5 -47.8] dr=1.87 t=32800.0ps kin=1.55 pot=21.54 Rg=34.728 SPS=1610
bl=3181 pos[1]=[7.8 33.3 -49.7] dr=1.93 t=32810.0ps kin=1.53 pot=21.56 Rg=34.696 SPS=1623
bl=3182 pos[1]=[5.3 34.2 -49.7] dr=1.96 t=32820.0ps kin=1.48 pot=21.53 Rg=34.694 SPS=1602
bl=3183 pos[1]=[4.7 36.5 -50.6] dr=1.91 t=32830.0ps kin=1.53 pot=21.53 Rg=34.700 SPS=1634
bl=3184 pos[1]=[6.9 35.7 -52.7] dr=1.93 t=32840.0ps kin=1.56 pot=21.54 Rg=34.694 SPS=1618
bl=3185 pos[1]=[7.6 36.1 -53.6] dr=2.02 t=32850.0ps kin=1.52 pot=21.56 Rg=34.762 SPS=1619
bl=3186 pos[1]=[5.2 34.7 -55.5] dr=1.97 t=32860.0ps kin=1.50 pot=21.56 Rg=34.856 SPS=1631
bl=3187 pos[1]=[3.5 35.4 -53.2] dr=1.94 t=32870.0ps kin=1.54 pot=21.50 Rg=34.885 SPS=1634
bl=3188 pos[1]=[4.1 37.3 -53.6] dr=1.89 t=32880.0ps kin=1.49 pot=21.53 Rg=34.881 SPS=1611
bl=3189 pos[1]=[9.0 37.2 -53.3] dr=1.94 t=32890.0ps kin=1.52 pot=21.48 Rg=34.937 SPS=1678
bl=3190 pos[1]=[7.6 38.9 -49.9] dr=1.93 t=32900.0ps kin=1.53 pot=21.53 Rg=34.943 SPS=1638
bl=3191 pos[1]=[5.4 37.9 -47.1] dr=1.87 t=32910.0ps kin=1.47 pot=21.52 Rg=34.868 SPS=1607
bl=3192 pos[1]=[5.7 37.2 -46.7] dr=1.85 t=32920.0ps kin=1.47 pot=21.56 Rg=34.756 SPS=1625
bl=3193 pos[1]=[1.5 38.3 -45.4] dr=1.99 t=32930.0ps kin=1.56 pot=21.50 Rg=34.836 SPS=1635
bl=3194 pos[1]=[-0.1 38.8 -46.8] dr=1.95 t=32940.0ps kin=1.50 pot=21.53 Rg=34.870 SPS=1608
bl=3195 pos[1]=[-1.1 38.4 -45.5] dr=1.91 t=32950.0ps kin=1.47 pot=21.51 Rg=34.807 SPS=1632
bl=3196 pos[1]=[0.3 37.0 -47.3] dr=1.87 t=32960.0ps kin=1.50 pot=21.54 Rg=34.877 SPS=1640
bl=3197 pos[1]=[-0.8 36.2 -47.8] dr=1.98 t=32970.0ps kin=1.50 pot=21.48 Rg=35.016 SPS=1610
bl=3198 pos[1]=[0.8 35.2 -47.8] dr=1.89 t=32980.0ps kin=1.50 pot=21.52 Rg=35.133 SPS=1587
bl=3199 pos[1]=[1.5 36.1 -46.3] dr=1.88 t=32990.0ps kin=1.51 pot=21.50 Rg=35.117 SPS=1576
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.32973855 0.86976617 -4.55587247] Rg = 35.11707
median bond size is 0.968031140410202
three shortest/longest (<10)/ bonds are [0.88547027 0.88811869 0.89006882] [1.06769898 1.07933591 1.1221964 ]
95 percentile of distance to center is: 56.87927602599841
density of closest 95% monomers is: 0.0016712156952727786
density of the core monomers is: 0.009509947055720567
min/median/mean/max coordinates are:
x: -35.17, 9.62, 10.33, 64.95
y: -39.37, 1.48, 0.87, 38.89
z: -46.80, -1.32, -4.56, 19.21
Statistics for velocities:
mean kinetic energy is: 1.5142072427987014 should be: 1.5
fastest particles are (in kT): [7.12996371 7.4198742 7.8487757 8.01434901 9.47507938]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.49760324483776
bl=3200 pos[1]=[1.5 35.2 -44.6] dr=1.93 t=33000.0ps kin=1.54 pot=21.50 Rg=35.068 SPS=1554
bl=3201 pos[1]=[-0.2 34.9 -45.0] dr=1.93 t=33010.0ps kin=1.50 pot=21.50 Rg=35.026 SPS=1623
bl=3202 pos[1]=[0.9 36.4 -44.5] dr=1.90 t=33020.0ps kin=1.44 pot=21.52 Rg=34.982 SPS=1577
bl=3203 pos[1]=[3.3 37.6 -42.9] dr=1.96 t=33030.0ps kin=1.47 pot=21.47 Rg=34.893 SPS=1590
bl=3204 pos[1]=[6.3 37.7 -41.9] dr=1.96 t=33040.0ps kin=1.46 pot=21.50 Rg=34.796 SPS=1617
bl=3205 pos[1]=[7.6 38.2 -43.5] dr=1.97 t=33050.0ps kin=1.52 pot=21.50 Rg=34.837 SPS=1585
bl=3206 pos[1]=[8.9 39.4 -42.0] dr=1.94 t=33060.0ps kin=1.49 pot=21.45 Rg=34.864 SPS=1621
bl=3207 pos[1]=[9.9 39.3 -40.2] dr=1.97 t=33070.0ps kin=1.49 pot=21.49 Rg=34.907 SPS=1663
bl=3208 pos[1]=[9.0 36.6 -42.8] dr=1.94 t=33080.0ps kin=1.52 pot=21.50 Rg=34.836 SPS=1489
bl=3209 pos[1]=[12.0 39.6 -42.4] dr=2.00 t=33090.0ps kin=1.52 pot=21.50 Rg=34.784 SPS=1604
bl=3210 pos[1]=[10.0 38.9 -43.6] dr=1.96 t=33100.0ps kin=1.49 pot=21.49 Rg=34.737 SPS=1599
bl=3211 pos[1]=[10.3 38.9 -44.7] dr=1.81 t=33110.0ps kin=1.46 pot=21.56 Rg=34.730 SPS=1584
bl=3212 pos[1]=[9.7 37.6 -45.2] dr=1.98 t=33120.0ps kin=1.46 pot=21.51 Rg=34.707 SPS=1600
bl=3213 pos[1]=[8.7 37.7 -42.6] dr=1.94 t=33130.0ps kin=1.51 pot=21.48 Rg=34.707 SPS=1597
bl=3214 pos[1]=[11.7 36.9 -42.1] dr=1.96 t=33140.0ps kin=1.54 pot=21.49 Rg=34.675 SPS=1596
bl=3215 pos[1]=[12.1 36.3 -41.2] dr=1.91 t=33150.0ps kin=1.47 pot=21.52 Rg=34.724 SPS=1606
bl=3216 pos[1]=[13.1 34.8 -39.4] dr=1.91 t=33160.0ps kin=1.51 pot=21.46 Rg=34.859 SPS=1614
bl=3217 pos[1]=[14.1 35.7 -39.8] dr=1.89 t=33170.0ps kin=1.52 pot=21.50 Rg=34.854 SPS=1591
bl=3218 pos[1]=[13.5 37.2 -41.7] dr=1.81 t=33180.0ps kin=1.44 pot=21.47 Rg=34.834 SPS=1587
bl=3219 pos[1]=[12.2 35.4 -39.0] dr=1.88 t=33190.0ps kin=1.41 pot=21.52 Rg=34.769 SPS=1574
bl=3220 pos[1]=[10.6 38.1 -39.2] dr=1.90 t=33200.0ps kin=1.48 pot=21.53 Rg=34.669 SPS=1587
bl=3221 pos[1]=[8.5 38.9 -38.9] dr=1.91 t=33210.0ps kin=1.52 pot=21.51 Rg=34.618 SPS=1583
bl=3222 pos[1]=[7.0 39.1 -39.3] dr=1.91 t=33220.0ps kin=1.53 pot=21.53 Rg=34.591 SPS=1570
bl=3223 pos[1]=[8.6 37.6 -38.4] dr=1.88 t=33230.0ps kin=1.48 pot=21.51 Rg=34.474 SPS=1583
bl=3224 pos[1]=[9.4 36.3 -38.7] dr=1.90 t=33240.0ps kin=1.50 pot=21.50 Rg=34.481 SPS=1571
bl=3225 pos[1]=[9.9 36.2 -40.3] dr=1.94 t=33250.0ps kin=1.49 pot=21.52 Rg=34.579 SPS=1594
bl=3226 pos[1]=[8.8 35.5 -40.0] dr=1.88 t=33260.0ps kin=1.54 pot=21.52 Rg=34.714 SPS=1585
bl=3227 pos[1]=[10.2 35.8 -39.3] dr=1.86 t=33270.0ps kin=1.50 pot=21.52 Rg=34.748 SPS=1575
bl=3228 pos[1]=[7.8 36.5 -37.5] dr=1.88 t=33280.0ps kin=1.47 pot=21.51 Rg=34.655 SPS=1600
bl=3229 pos[1]=[7.9 37.3 -38.7] dr=1.85 t=33290.0ps kin=1.46 pot=21.53 Rg=34.667 SPS=1586
bl=3230 pos[1]=[8.0 33.6 -40.6] dr=1.88 t=33300.0ps kin=1.52 pot=21.50 Rg=34.739 SPS=1591
bl=3231 pos[1]=[6.0 33.8 -43.3] dr=1.93 t=33310.0ps kin=1.49 pot=21.52 Rg=34.741 SPS=1593
bl=3232 pos[1]=[3.0 36.1 -41.6] dr=1.95 t=33320.0ps kin=1.54 pot=21.50 Rg=34.626 SPS=1562
bl=3233 pos[1]=[2.1 34.4 -42.3] dr=2.00 t=33330.0ps kin=1.46 pot=21.51 Rg=34.579 SPS=1610
bl=3234 pos[1]=[2.3 34.5 -41.7] dr=1.90 t=33340.0ps kin=1.49 pot=21.51 Rg=34.580 SPS=1602
bl=3235 pos[1]=[1.7 34.9 -41.5] dr=1.92 t=33350.0ps kin=1.47 pot=21.50 Rg=34.601 SPS=1605
bl=3236 pos[1]=[1.1 37.3 -40.5] dr=1.94 t=33360.0ps kin=1.49 pot=21.48 Rg=34.641 SPS=1595
bl=3237 pos[1]=[-1.2 37.8 -37.4] dr=1.90 t=33370.0ps kin=1.49 pot=21.55 Rg=34.606 SPS=1608
bl=3238 pos[1]=[-5.3 37.0 -34.0] dr=1.96 t=33380.0ps kin=1.51 pot=21.51 Rg=34.438 SPS=1609
bl=3239 pos[1]=[-1.6 33.5 -33.5] dr=1.96 t=33390.0ps kin=1.51 pot=21.50 Rg=34.189 SPS=1544
bl=3240 pos[1]=[-1.5 34.4 -32.3] dr=1.91 t=33400.0ps kin=1.47 pot=21.51 Rg=34.040 SPS=1620
bl=3241 pos[1]=[-0.3 34.8 -34.2] dr=1.88 t=33410.0ps kin=1.43 pot=21.46 Rg=34.051 SPS=1620
bl=3242 pos[1]=[-0.3 32.5 -35.9] dr=1.90 t=33420.0ps kin=1.48 pot=21.47 Rg=34.133 SPS=1602
bl=3243 pos[1]=[1.7 32.6 -37.4] dr=1.94 t=33430.0ps kin=1.51 pot=21.50 Rg=34.221 SPS=1622
bl=3244 pos[1]=[-1.6 33.1 -35.3] dr=1.88 t=33440.0ps kin=1.40 pot=21.52 Rg=34.384 SPS=1618
bl=3245 pos[1]=[0.0 33.1 -39.1] dr=1.85 t=33450.0ps kin=1.47 pot=21.56 Rg=34.508 SPS=1582
bl=3246 pos[1]=[0.9 31.4 -37.7] dr=1.90 t=33460.0ps kin=1.55 pot=21.52 Rg=34.513 SPS=1597
bl=3247 pos[1]=[-0.3 33.1 -36.5] dr=1.88 t=33470.0ps kin=1.47 pot=21.52 Rg=34.530 SPS=1605
bl=3248 pos[1]=[-0.5 30.9 -37.0] dr=1.95 t=33480.0ps kin=1.55 pot=21.52 Rg=34.491 SPS=1573
bl=3249 pos[1]=[-0.7 28.0 -36.0] dr=1.97 t=33490.0ps kin=1.49 pot=21.52 Rg=34.557 SPS=1560
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.43387476 0.67467358 -4.60952379] Rg = 34.557068
median bond size is 0.967258034770661
three shortest/longest (<10)/ bonds are [0.87611738 0.88659462 0.88750167] [1.0713359 1.07199699 1.07748539]
95 percentile of distance to center is: 57.58841250655194
density of closest 95% monomers is: 0.0016102353809936487
density of the core monomers is: 0.03329830861889005
min/median/mean/max coordinates are:
x: -32.75, 10.06, 11.43, 65.50
y: -41.87, 3.78, 0.67, 38.85
z: -38.17, -2.95, -4.61, 20.69
Statistics for velocities:
mean kinetic energy is: 1.488554396259814 should be: 1.5
fastest particles are (in kT): [5.94861711 6.07791778 6.35945925 6.71591943 7.2323044 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.516283243455014
bl=3250 pos[1]=[0.7 25.6 -36.1] dr=1.95 t=33500.0ps kin=1.50 pot=21.49 Rg=34.567 SPS=1570
bl=3251 pos[1]=[4.6 26.1 -37.4] dr=1.98 t=33510.0ps kin=1.53 pot=21.57 Rg=34.584 SPS=1604
bl=3252 pos[1]=[3.5 24.7 -35.9] dr=1.90 t=33520.0ps kin=1.50 pot=21.57 Rg=34.553 SPS=1607
bl=3253 pos[1]=[4.1 26.4 -35.6] dr=1.80 t=33530.0ps kin=1.49 pot=21.56 Rg=34.565 SPS=1692
bl=3254 pos[1]=[8.1 28.3 -36.6] dr=1.90 t=33540.0ps kin=1.46 pot=21.53 Rg=34.598 SPS=1625
bl=3255 pos[1]=[6.8 26.5 -37.8] dr=1.89 t=33550.0ps kin=1.50 pot=21.52 Rg=34.671 SPS=1604
bl=3256 pos[1]=[4.2 26.7 -35.6] dr=1.93 t=33560.0ps kin=1.47 pot=21.50 Rg=34.793 SPS=1627
bl=3257 pos[1]=[3.7 25.9 -36.9] dr=1.92 t=33570.0ps kin=1.46 pot=21.46 Rg=34.867 SPS=1610
bl=3258 pos[1]=[2.0 25.9 -38.3] dr=1.99 t=33580.0ps kin=1.51 pot=21.51 Rg=34.879 SPS=1603
bl=3259 pos[1]=[3.2 28.4 -36.9] dr=1.95 t=33590.0ps kin=1.50 pot=21.49 Rg=34.921 SPS=1616
bl=3260 pos[1]=[3.1 32.9 -37.6] dr=1.92 t=33600.0ps kin=1.54 pot=21.54 Rg=34.950 SPS=1607
bl=3261 pos[1]=[3.4 33.1 -35.3] dr=1.93 t=33610.0ps kin=1.54 pot=21.51 Rg=35.024 SPS=1626
bl=3262 pos[1]=[2.3 32.6 -34.6] dr=1.88 t=33620.0ps kin=1.47 pot=21.54 Rg=35.080 SPS=1588
bl=3263 pos[1]=[3.2 27.1 -33.0] dr=1.92 t=33630.0ps kin=1.47 pot=21.51 Rg=35.026 SPS=1595
bl=3264 pos[1]=[2.3 28.1 -32.0] dr=1.91 t=33640.0ps kin=1.50 pot=21.51 Rg=34.891 SPS=1604
bl=3265 pos[1]=[5.7 29.0 -31.4] dr=1.96 t=33650.0ps kin=1.46 pot=21.53 Rg=34.750 SPS=1596
bl=3266 pos[1]=[5.2 28.1 -31.7] dr=1.90 t=33660.0ps kin=1.48 pot=21.49 Rg=34.731 SPS=1603
bl=3267 pos[1]=[3.0 26.7 -30.7] dr=1.98 t=33670.0ps kin=1.49 pot=21.48 Rg=34.707 SPS=1599
bl=3268 pos[1]=[6.2 22.5 -32.8] dr=1.94 t=33680.0ps kin=1.47 pot=21.56 Rg=34.665 SPS=1580
bl=3269 pos[1]=[4.8 22.6 -34.7] dr=1.91 t=33690.0ps kin=1.49 pot=21.59 Rg=34.681 SPS=1603
bl=3270 pos[1]=[4.7 22.8 -33.8] dr=1.94 t=33700.0ps kin=1.50 pot=21.52 Rg=34.568 SPS=1593
bl=3271 pos[1]=[3.3 23.2 -30.9] dr=1.98 t=33710.0ps kin=1.46 pot=21.52 Rg=34.602 SPS=1520
bl=3272 pos[1]=[4.1 23.9 -30.7] dr=1.94 t=33720.0ps kin=1.47 pot=21.53 Rg=34.773 SPS=1590
bl=3273 pos[1]=[3.6 23.8 -32.9] dr=1.89 t=33730.0ps kin=1.49 pot=21.54 Rg=34.850 SPS=1601
bl=3274 pos[1]=[5.1 23.8 -31.8] dr=1.90 t=33740.0ps kin=1.51 pot=21.50 Rg=34.865 SPS=1581
bl=3275 pos[1]=[7.9 22.9 -29.8] dr=1.92 t=33750.0ps kin=1.47 pot=21.49 Rg=34.935 SPS=1592
bl=3276 pos[1]=[10.1 22.0 -32.7] dr=1.82 t=33760.0ps kin=1.46 pot=21.46 Rg=34.995 SPS=1558
bl=3277 pos[1]=[11.0 22.4 -34.1] dr=1.90 t=33770.0ps kin=1.45 pot=21.51 Rg=34.941 SPS=1607
bl=3278 pos[1]=[11.7 24.3 -37.0] dr=1.93 t=33780.0ps kin=1.57 pot=21.47 Rg=34.743 SPS=1598
bl=3279 pos[1]=[14.4 25.8 -36.8] dr=2.06 t=33790.0ps kin=1.52 pot=21.50 Rg=34.640 SPS=1607
bl=3280 pos[1]=[16.8 25.0 -36.6] dr=1.94 t=33800.0ps kin=1.51 pot=21.50 Rg=34.678 SPS=1556
bl=3281 pos[1]=[16.5 26.8 -33.1] dr=1.90 t=33810.0ps kin=1.50 pot=21.51 Rg=34.697 SPS=1586
bl=3282 pos[1]=[15.9 28.4 -32.4] dr=1.92 t=33820.0ps kin=1.48 pot=21.53 Rg=34.729 SPS=1627
bl=3283 pos[1]=[15.9 28.7 -31.6] dr=1.84 t=33830.0ps kin=1.46 pot=21.46 Rg=34.801 SPS=1580
bl=3284 pos[1]=[13.9 26.7 -33.2] dr=1.88 t=33840.0ps kin=1.50 pot=21.50 Rg=34.802 SPS=1588
bl=3285 pos[1]=[13.1 27.8 -30.4] dr=1.90 t=33850.0ps kin=1.47 pot=21.50 Rg=34.760 SPS=1599
bl=3286 pos[1]=[12.9 27.4 -31.7] dr=1.90 t=33860.0ps kin=1.49 pot=21.50 Rg=34.730 SPS=1580
bl=3287 pos[1]=[12.8 28.5 -31.5] dr=1.95 t=33870.0ps kin=1.52 pot=21.47 Rg=34.679 SPS=1563
bl=3288 pos[1]=[14.5 26.4 -30.2] dr=1.92 t=33880.0ps kin=1.48 pot=21.46 Rg=34.607 SPS=1594
bl=3289 pos[1]=[11.2 25.6 -29.8] dr=1.92 t=33890.0ps kin=1.52 pot=21.46 Rg=34.451 SPS=1566
bl=3290 pos[1]=[9.0 26.7 -31.7] dr=1.86 t=33900.0ps kin=1.53 pot=21.55 Rg=34.274 SPS=1545
bl=3291 pos[1]=[9.8 24.6 -32.2] dr=1.92 t=33910.0ps kin=1.51 pot=21.50 Rg=34.161 SPS=1585
bl=3292 pos[1]=[7.1 23.9 -32.1] dr=1.92 t=33920.0ps kin=1.56 pot=21.45 Rg=34.096 SPS=1583
bl=3293 pos[1]=[3.8 24.3 -34.7] dr=1.93 t=33930.0ps kin=1.50 pot=21.49 Rg=34.027 SPS=1498
bl=3294 pos[1]=[1.9 23.6 -34.2] dr=2.00 t=33940.0ps kin=1.53 pot=21.49 Rg=34.039 SPS=1602
bl=3295 pos[1]=[1.8 22.6 -35.0] dr=1.92 t=33950.0ps kin=1.56 pot=21.47 Rg=33.956 SPS=1607
bl=3296 pos[1]=[2.5 19.3 -34.3] dr=1.84 t=33960.0ps kin=1.41 pot=21.54 Rg=33.895 SPS=1589
bl=3297 pos[1]=[3.4 18.0 -33.7] dr=1.86 t=33970.0ps kin=1.47 pot=21.53 Rg=33.925 SPS=1590
bl=3298 pos[1]=[3.2 17.6 -34.4] dr=1.87 t=33980.0ps kin=1.47 pot=21.50 Rg=33.908 SPS=1574
bl=3299 pos[1]=[6.6 19.1 -34.9] dr=1.92 t=33990.0ps kin=1.55 pot=21.51 Rg=33.822 SPS=1631
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.06948739 1.49808363 -3.88186645] Rg = 33.821705
median bond size is 0.9681783026933373
three shortest/longest (<10)/ bonds are [0.87621383 0.88819122 0.8895722 ] [1.08656069 1.10022796 1.10439481]
95 percentile of distance to center is: 53.38042320971481
density of closest 95% monomers is: 0.0020218486743822273
density of the core monomers is: 0.00930545081901193
min/median/mean/max coordinates are:
x: -30.76, 8.92, 11.07, 69.36
y: -34.55, 4.77, 1.50, 42.11
z: -38.26, -1.38, -3.88, 19.24
Statistics for velocities:
mean kinetic energy is: 1.5508875675801816 should be: 1.5
fastest particles are (in kT): [6.57537286 6.64076223 6.79375687 7.07390754 7.16398551]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.51299778761062
bl=3300 pos[1]=[6.4 20.4 -33.8] dr=1.91 t=34000.0ps kin=1.49 pot=21.50 Rg=33.769 SPS=1643
bl=3301 pos[1]=[4.4 20.8 -32.5] dr=1.95 t=34010.0ps kin=1.47 pot=21.53 Rg=33.793 SPS=1626
bl=3302 pos[1]=[3.2 18.9 -32.5] dr=1.99 t=34020.0ps kin=1.51 pot=21.51 Rg=33.640 SPS=1577
bl=3303 pos[1]=[4.8 19.3 -32.3] dr=1.95 t=34030.0ps kin=1.56 pot=21.52 Rg=33.497 SPS=1573
bl=3304 pos[1]=[3.3 20.3 -34.7] dr=1.93 t=34040.0ps kin=1.60 pot=21.57 Rg=33.439 SPS=1589
bl=3305 pos[1]=[3.5 18.0 -35.9] dr=1.92 t=34050.0ps kin=1.48 pot=21.55 Rg=33.395 SPS=1590
bl=3306 pos[1]=[5.2 17.4 -33.6] dr=1.95 t=34060.0ps kin=1.52 pot=21.52 Rg=33.399 SPS=1592
bl=3307 pos[1]=[4.9 15.6 -34.6] dr=1.89 t=34070.0ps kin=1.50 pot=21.52 Rg=33.348 SPS=1597
bl=3308 pos[1]=[2.8 15.9 -36.1] dr=1.93 t=34080.0ps kin=1.50 pot=21.52 Rg=33.333 SPS=1604
bl=3309 pos[1]=[4.9 14.2 -37.0] dr=1.98 t=34090.0ps kin=1.53 pot=21.52 Rg=33.351 SPS=1614
bl=3310 pos[1]=[6.6 16.0 -36.2] dr=1.90 t=34100.0ps kin=1.50 pot=21.52 Rg=33.307 SPS=1596
bl=3311 pos[1]=[5.2 12.6 -34.4] dr=1.94 t=34110.0ps kin=1.50 pot=21.53 Rg=33.234 SPS=1585
bl=3312 pos[1]=[4.2 12.5 -37.4] dr=1.90 t=34120.0ps kin=1.48 pot=21.52 Rg=33.295 SPS=1581
bl=3313 pos[1]=[4.9 13.9 -38.7] dr=1.98 t=34130.0ps kin=1.52 pot=21.49 Rg=33.324 SPS=1591
bl=3314 pos[1]=[5.8 15.0 -37.7] dr=2.00 t=34140.0ps kin=1.50 pot=21.48 Rg=33.303 SPS=1596
bl=3315 pos[1]=[5.6 10.7 -36.4] dr=1.86 t=34150.0ps kin=1.44 pot=21.44 Rg=33.211 SPS=1576
bl=3316 pos[1]=[3.0 11.7 -36.9] dr=1.94 t=34160.0ps kin=1.51 pot=21.54 Rg=33.249 SPS=1604
bl=3317 pos[1]=[2.6 12.6 -35.6] dr=1.99 t=34170.0ps kin=1.55 pot=21.51 Rg=33.232 SPS=1631
bl=3318 pos[1]=[4.2 14.0 -35.3] dr=1.95 t=34180.0ps kin=1.51 pot=21.52 Rg=33.059 SPS=1611
bl=3319 pos[1]=[4.9 13.4 -33.8] dr=1.90 t=34190.0ps kin=1.54 pot=21.53 Rg=32.938 SPS=1598
bl=3320 pos[1]=[5.3 14.6 -33.7] dr=1.96 t=34200.0ps kin=1.57 pot=21.55 Rg=32.873 SPS=1593
bl=3321 pos[1]=[4.8 13.9 -35.0] dr=2.00 t=34210.0ps kin=1.54 pot=21.48 Rg=32.822 SPS=1612
bl=3322 pos[1]=[7.1 12.3 -37.6] dr=1.93 t=34220.0ps kin=1.43 pot=21.54 Rg=32.866 SPS=1506
bl=3323 pos[1]=[7.9 12.2 -34.9] dr=1.91 t=34230.0ps kin=1.49 pot=21.48 Rg=32.829 SPS=1591
bl=3324 pos[1]=[6.2 14.6 -33.1] dr=1.98 t=34240.0ps kin=1.48 pot=21.51 Rg=32.700 SPS=1598
bl=3325 pos[1]=[5.4 15.4 -32.9] dr=1.94 t=34250.0ps kin=1.50 pot=21.50 Rg=32.703 SPS=1599
bl=3326 pos[1]=[7.3 15.2 -32.5] dr=1.84 t=34260.0ps kin=1.49 pot=21.53 Rg=32.582 SPS=1609
bl=3327 pos[1]=[7.3 15.5 -33.4] dr=1.86 t=34270.0ps kin=1.50 pot=21.53 Rg=32.430 SPS=1618
bl=3328 pos[1]=[3.6 18.1 -35.2] dr=1.98 t=34280.0ps kin=1.54 pot=21.48 Rg=32.262 SPS=1667
bl=3329 pos[1]=[2.4 18.9 -35.8] dr=1.97 t=34290.0ps kin=1.51 pot=21.53 Rg=32.221 SPS=1609
bl=3330 pos[1]=[5.5 17.0 -38.0] dr=1.93 t=34300.0ps kin=1.55 pot=21.56 Rg=32.222 SPS=1602
bl=3331 pos[1]=[5.0 17.3 -43.6] dr=1.94 t=34310.0ps kin=1.48 pot=21.52 Rg=32.323 SPS=1597
bl=3332 pos[1]=[7.2 15.9 -44.3] dr=1.91 t=34320.0ps kin=1.49 pot=21.57 Rg=32.438 SPS=1622
bl=3333 pos[1]=[8.4 16.2 -45.1] dr=1.86 t=34330.0ps kin=1.57 pot=21.52 Rg=32.515 SPS=1636
bl=3334 pos[1]=[6.4 14.6 -45.0] dr=1.97 t=34340.0ps kin=1.50 pot=21.53 Rg=32.459 SPS=1641
bl=3335 pos[1]=[5.8 15.6 -44.7] dr=1.89 t=34350.0ps kin=1.45 pot=21.52 Rg=32.409 SPS=1602
bl=3336 pos[1]=[3.2 17.4 -43.7] dr=1.94 t=34360.0ps kin=1.47 pot=21.50 Rg=32.452 SPS=1632
bl=3337 pos[1]=[3.7 17.1 -41.9] dr=1.93 t=34370.0ps kin=1.45 pot=21.53 Rg=32.451 SPS=1606
bl=3338 pos[1]=[4.2 18.8 -41.1] dr=1.93 t=34380.0ps kin=1.51 pot=21.52 Rg=32.405 SPS=1587
bl=3339 pos[1]=[4.7 20.9 -42.6] dr=2.00 t=34390.0ps kin=1.52 pot=21.51 Rg=32.415 SPS=1594
bl=3340 pos[1]=[4.5 24.0 -45.5] dr=1.95 t=34400.0ps kin=1.52 pot=21.52 Rg=32.413 SPS=1604
bl=3341 pos[1]=[5.1 27.3 -46.8] dr=1.97 t=34410.0ps kin=1.56 pot=21.49 Rg=32.432 SPS=1631
bl=3342 pos[1]=[8.3 22.6 -45.2] dr=1.93 t=34420.0ps kin=1.48 pot=21.47 Rg=32.334 SPS=1648
bl=3343 pos[1]=[7.9 22.4 -43.6] dr=1.92 t=34430.0ps kin=1.54 pot=21.47 Rg=32.218 SPS=1657
bl=3344 pos[1]=[8.1 23.9 -44.1] dr=1.91 t=34440.0ps kin=1.45 pot=21.51 Rg=31.992 SPS=1620
bl=3345 pos[1]=[6.1 22.4 -42.7] dr=1.91 t=34450.0ps kin=1.47 pot=21.50 Rg=31.880 SPS=1528
bl=3346 pos[1]=[7.2 21.3 -43.1] dr=1.95 t=34460.0ps kin=1.49 pot=21.53 Rg=31.821 SPS=1638
bl=3347 pos[1]=[9.8 19.2 -41.5] dr=1.93 t=34470.0ps kin=1.44 pot=21.53 Rg=31.797 SPS=1611
bl=3348 pos[1]=[11.6 17.2 -39.4] dr=1.99 t=34480.0ps kin=1.56 pot=21.50 Rg=31.824 SPS=1566
bl=3349 pos[1]=[10.0 17.4 -40.7] dr=1.90 t=34490.0ps kin=1.58 pot=21.54 Rg=31.904 SPS=1577
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.3520532 0.56009272 -6.18269814] Rg = 31.903954
median bond size is 0.9671768711127356
three shortest/longest (<10)/ bonds are [0.88671671 0.88769615 0.88943379] [1.08007499 1.08303095 1.09618049]
95 percentile of distance to center is: 50.823105206340045
density of closest 95% monomers is: 0.002342669896975535
density of the core monomers is: 0.012379728413780313
min/median/mean/max coordinates are:
x: -27.30, 4.90, 8.35, 62.62
y: -37.84, 3.95, 0.56, 39.14
z: -43.76, -4.42, -6.18, 13.40
Statistics for velocities:
mean kinetic energy is: 1.5767562900448162 should be: 1.5
fastest particles are (in kT): [ 7.13019104 7.65297611 8.23975557 8.42702647 10.89842819]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.53853532909292
bl=3350 pos[1]=[8.7 16.1 -40.6] dr=1.91 t=34500.0ps kin=1.56 pot=21.53 Rg=32.066 SPS=1587
bl=3351 pos[1]=[8.3 15.4 -41.7] dr=1.95 t=34510.0ps kin=1.49 pot=21.52 Rg=32.199 SPS=1600
bl=3352 pos[1]=[8.8 14.2 -43.5] dr=1.99 t=34520.0ps kin=1.46 pot=21.49 Rg=32.110 SPS=1590
bl=3353 pos[1]=[7.8 15.2 -44.8] dr=1.93 t=34530.0ps kin=1.52 pot=21.53 Rg=32.098 SPS=1592
bl=3354 pos[1]=[9.8 16.4 -45.3] dr=1.90 t=34540.0ps kin=1.48 pot=21.53 Rg=32.155 SPS=1575
bl=3355 pos[1]=[11.0 19.1 -45.5] dr=1.87 t=34550.0ps kin=1.40 pot=21.51 Rg=32.165 SPS=1579
bl=3356 pos[1]=[12.9 20.2 -46.6] dr=1.91 t=34560.0ps kin=1.47 pot=21.46 Rg=32.227 SPS=1567
bl=3357 pos[1]=[15.5 18.7 -44.5] dr=1.91 t=34570.0ps kin=1.48 pot=21.53 Rg=32.273 SPS=1588
bl=3358 pos[1]=[15.4 19.5 -43.4] dr=1.93 t=34580.0ps kin=1.56 pot=21.45 Rg=32.200 SPS=1597
bl=3359 pos[1]=[15.1 22.8 -44.2] dr=2.01 t=34590.0ps kin=1.50 pot=21.56 Rg=32.215 SPS=1581
bl=3360 pos[1]=[17.2 22.5 -43.3] dr=2.00 t=34600.0ps kin=1.52 pot=21.48 Rg=32.207 SPS=1601
bl=3361 pos[1]=[17.2 24.7 -42.4] dr=1.95 t=34610.0ps kin=1.52 pot=21.48 Rg=32.134 SPS=1554
bl=3362 pos[1]=[17.6 24.0 -42.6] dr=1.83 t=34620.0ps kin=1.56 pot=21.50 Rg=32.130 SPS=1581
bl=3363 pos[1]=[16.0 23.8 -40.2] dr=1.90 t=34630.0ps kin=1.53 pot=21.49 Rg=32.156 SPS=1564
bl=3364 pos[1]=[16.6 23.6 -38.6] dr=1.91 t=34640.0ps kin=1.56 pot=21.46 Rg=32.199 SPS=1585
bl=3365 pos[1]=[19.0 22.3 -37.6] dr=1.96 t=34650.0ps kin=1.50 pot=21.55 Rg=32.266 SPS=1598
bl=3366 pos[1]=[21.5 24.6 -36.4] dr=1.86 t=34660.0ps kin=1.48 pot=21.48 Rg=32.328 SPS=1586
bl=3367 pos[1]=[22.1 23.5 -36.9] dr=1.91 t=34670.0ps kin=1.48 pot=21.54 Rg=32.378 SPS=1489
bl=3368 pos[1]=[20.6 25.0 -35.3] dr=1.85 t=34680.0ps kin=1.43 pot=21.54 Rg=32.409 SPS=1588
bl=3369 pos[1]=[21.6 25.0 -32.7] dr=1.89 t=34690.0ps kin=1.48 pot=21.47 Rg=32.509 SPS=1569
bl=3370 pos[1]=[23.0 23.4 -33.6] dr=1.93 t=34700.0ps kin=1.52 pot=21.49 Rg=32.545 SPS=1570
bl=3371 pos[1]=[19.5 19.8 -33.7] dr=1.92 t=34710.0ps kin=1.52 pot=21.52 Rg=32.610 SPS=1596
bl=3372 pos[1]=[17.9 20.3 -33.8] dr=1.90 t=34720.0ps kin=1.52 pot=21.54 Rg=32.730 SPS=1553
bl=3373 pos[1]=[20.1 18.4 -33.3] dr=1.84 t=34730.0ps kin=1.51 pot=21.52 Rg=32.726 SPS=1595
bl=3374 pos[1]=[21.2 19.2 -38.9] dr=1.97 t=34740.0ps kin=1.52 pot=21.53 Rg=32.631 SPS=1624
bl=3375 pos[1]=[19.7 22.7 -40.4] dr=1.90 t=34750.0ps kin=1.50 pot=21.50 Rg=32.507 SPS=1583
bl=3376 pos[1]=[20.0 24.0 -41.7] dr=1.88 t=34760.0ps kin=1.50 pot=21.53 Rg=32.441 SPS=1597
bl=3377 pos[1]=[21.0 24.6 -42.4] dr=1.96 t=34770.0ps kin=1.55 pot=21.45 Rg=32.436 SPS=1597
bl=3378 pos[1]=[20.2 26.8 -41.6] dr=1.93 t=34780.0ps kin=1.47 pot=21.54 Rg=32.428 SPS=1595
bl=3379 pos[1]=[19.8 26.4 -40.2] dr=1.89 t=34790.0ps kin=1.44 pot=21.50 Rg=32.333 SPS=1584
bl=3380 pos[1]=[18.5 29.2 -38.7] dr=1.87 t=34800.0ps kin=1.51 pot=21.51 Rg=32.271 SPS=1597
bl=3381 pos[1]=[17.7 29.6 -38.3] dr=1.89 t=34810.0ps kin=1.48 pot=21.53 Rg=32.264 SPS=1621
bl=3382 pos[1]=[15.6 28.9 -41.7] dr=1.95 t=34820.0ps kin=1.46 pot=21.50 Rg=32.302 SPS=1601
bl=3383 pos[1]=[14.9 32.5 -40.6] dr=1.90 t=34830.0ps kin=1.53 pot=21.46 Rg=32.312 SPS=1566
bl=3384 pos[1]=[16.4 31.3 -42.1] dr=1.95 t=34840.0ps kin=1.50 pot=21.50 Rg=32.309 SPS=1588
bl=3385 pos[1]=[17.3 30.3 -41.5] dr=1.93 t=34850.0ps kin=1.51 pot=21.49 Rg=32.244 SPS=1569
bl=3386 pos[1]=[18.4 30.0 -40.2] dr=1.89 t=34860.0ps kin=1.48 pot=21.50 Rg=32.231 SPS=1582
bl=3387 pos[1]=[19.8 27.6 -39.9] dr=1.91 t=34870.0ps kin=1.52 pot=21.53 Rg=32.203 SPS=1559
bl=3388 pos[1]=[19.7 28.8 -38.3] dr=1.91 t=34880.0ps kin=1.52 pot=21.50 Rg=32.216 SPS=1573
bl=3389 pos[1]=[19.2 26.3 -38.4] dr=2.02 t=34890.0ps kin=1.56 pot=21.51 Rg=32.275 SPS=1577
bl=3390 pos[1]=[16.8 28.9 -39.2] dr=1.94 t=34900.0ps kin=1.53 pot=21.51 Rg=32.283 SPS=1498
bl=3391 pos[1]=[16.8 29.2 -40.9] dr=1.97 t=34910.0ps kin=1.52 pot=21.49 Rg=32.258 SPS=1620
bl=3392 pos[1]=[16.3 29.2 -42.4] dr=1.97 t=34920.0ps kin=1.56 pot=21.50 Rg=32.276 SPS=1628
bl=3393 pos[1]=[15.6 29.0 -43.3] dr=1.95 t=34930.0ps kin=1.48 pot=21.53 Rg=32.282 SPS=1558
bl=3394 pos[1]=[15.7 30.4 -46.9] dr=1.92 t=34940.0ps kin=1.52 pot=21.50 Rg=32.189 SPS=1580
bl=3395 pos[1]=[16.5 27.1 -46.0] dr=1.94 t=34950.0ps kin=1.49 pot=21.52 Rg=32.115 SPS=1587
bl=3396 pos[1]=[17.8 27.9 -44.6] dr=1.99 t=34960.0ps kin=1.44 pot=21.56 Rg=32.018 SPS=1567
bl=3397 pos[1]=[16.8 28.9 -42.6] dr=1.91 t=34970.0ps kin=1.46 pot=21.44 Rg=32.023 SPS=1585
bl=3398 pos[1]=[20.2 27.0 -39.5] dr=1.88 t=34980.0ps kin=1.44 pot=21.45 Rg=32.095 SPS=1593
bl=3399 pos[1]=[19.8 27.0 -40.1] dr=1.92 t=34990.0ps kin=1.48 pot=21.52 Rg=32.120 SPS=1583
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.28227818 0.4638953 -7.25444374] Rg = 32.11989
median bond size is 0.9648700505266239
three shortest/longest (<10)/ bonds are [0.87462653 0.88813197 0.88946116] [1.07680335 1.08340399 1.08736211]
95 percentile of distance to center is: 50.01761679375477
density of closest 95% monomers is: 0.002457682068203488
density of the core monomers is: 0.016067879810336548
min/median/mean/max coordinates are:
x: -30.61, 7.15, 9.28, 67.77
y: -33.44, 4.26, 0.46, 42.17
z: -46.99, -7.07, -7.25, 13.66
Statistics for velocities:
mean kinetic energy is: 1.4872987180253663 should be: 1.5
fastest particles are (in kT): [7.19712106 7.62001564 7.86382345 8.06139845 8.9012503 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.517709197547934
bl=3400 pos[1]=[20.5 28.1 -41.5] dr=1.89 t=35000.0ps kin=1.52 pot=21.46 Rg=32.111 SPS=1585
bl=3401 pos[1]=[21.7 26.0 -41.4] dr=1.95 t=35010.0ps kin=1.49 pot=21.53 Rg=31.947 SPS=1607
bl=3402 pos[1]=[21.8 27.4 -40.5] dr=1.99 t=35020.0ps kin=1.51 pot=21.50 Rg=31.927 SPS=1564
bl=3403 pos[1]=[21.0 25.9 -43.2] dr=1.97 t=35030.0ps kin=1.52 pot=21.52 Rg=31.863 SPS=1581
bl=3404 pos[1]=[21.7 23.5 -43.2] dr=1.92 t=35040.0ps kin=1.42 pot=21.52 Rg=31.774 SPS=1584
bl=3405 pos[1]=[19.8 25.1 -43.1] dr=1.95 t=35050.0ps kin=1.52 pot=21.49 Rg=31.735 SPS=1602
bl=3406 pos[1]=[18.0 24.9 -40.5] dr=1.99 t=35060.0ps kin=1.56 pot=21.53 Rg=31.690 SPS=1588
bl=3407 pos[1]=[17.3 24.3 -43.0] dr=1.91 t=35070.0ps kin=1.50 pot=21.55 Rg=31.546 SPS=1585
bl=3408 pos[1]=[17.9 25.4 -41.0] dr=1.86 t=35080.0ps kin=1.50 pot=21.52 Rg=31.484 SPS=1588
bl=3409 pos[1]=[16.5 26.1 -42.3] dr=1.83 t=35090.0ps kin=1.54 pot=21.52 Rg=31.463 SPS=1591
bl=3410 pos[1]=[16.4 27.1 -40.3] dr=1.87 t=35100.0ps kin=1.50 pot=21.48 Rg=31.314 SPS=1611
bl=3411 pos[1]=[16.4 28.3 -40.2] dr=1.90 t=35110.0ps kin=1.56 pot=21.48 Rg=31.264 SPS=1603
bl=3412 pos[1]=[16.2 29.9 -39.4] dr=1.93 t=35120.0ps kin=1.53 pot=21.54 Rg=31.213 SPS=1608
bl=3413 pos[1]=[16.0 27.9 -38.8] dr=1.92 t=35130.0ps kin=1.54 pot=21.51 Rg=31.222 SPS=1516
bl=3414 pos[1]=[18.6 25.9 -39.3] dr=1.90 t=35140.0ps kin=1.46 pot=21.57 Rg=31.166 SPS=1577
bl=3415 pos[1]=[19.3 27.2 -38.3] dr=1.91 t=35150.0ps kin=1.52 pot=21.51 Rg=31.093 SPS=1605
bl=3416 pos[1]=[16.9 26.4 -37.7] dr=1.85 t=35160.0ps kin=1.52 pot=21.53 Rg=31.104 SPS=1613
bl=3417 pos[1]=[18.0 28.4 -38.1] dr=1.98 t=35170.0ps kin=1.49 pot=21.52 Rg=31.083 SPS=1618
bl=3418 pos[1]=[17.2 28.3 -37.6] dr=1.95 t=35180.0ps kin=1.51 pot=21.54 Rg=31.071 SPS=1607
bl=3419 pos[1]=[15.8 24.1 -35.6] dr=1.91 t=35190.0ps kin=1.53 pot=21.51 Rg=31.107 SPS=1615
bl=3420 pos[1]=[20.0 24.6 -38.4] dr=1.86 t=35200.0ps kin=1.47 pot=21.51 Rg=31.170 SPS=1608
bl=3421 pos[1]=[18.5 23.2 -38.7] dr=1.93 t=35210.0ps kin=1.53 pot=21.47 Rg=31.238 SPS=1631
bl=3422 pos[1]=[19.7 20.6 -35.5] dr=1.86 t=35220.0ps kin=1.48 pot=21.49 Rg=31.239 SPS=1606
bl=3423 pos[1]=[18.2 18.8 -32.8] dr=1.90 t=35230.0ps kin=1.47 pot=21.47 Rg=31.278 SPS=1611
bl=3424 pos[1]=[17.4 19.1 -34.9] dr=1.93 t=35240.0ps kin=1.46 pot=21.47 Rg=31.260 SPS=1589
bl=3425 pos[1]=[14.5 23.0 -36.9] dr=1.90 t=35250.0ps kin=1.46 pot=21.50 Rg=31.226 SPS=1602
bl=3426 pos[1]=[12.1 22.1 -36.5] dr=1.90 t=35260.0ps kin=1.50 pot=21.50 Rg=31.246 SPS=1592
bl=3427 pos[1]=[12.7 21.4 -36.5] dr=1.94 t=35270.0ps kin=1.55 pot=21.50 Rg=31.344 SPS=1617
bl=3428 pos[1]=[13.6 23.2 -37.8] dr=1.99 t=35280.0ps kin=1.58 pot=21.52 Rg=31.481 SPS=1581
bl=3429 pos[1]=[14.7 23.7 -38.0] dr=1.97 t=35290.0ps kin=1.47 pot=21.49 Rg=31.629 SPS=1594
bl=3430 pos[1]=[12.5 23.2 -38.2] dr=1.93 t=35300.0ps kin=1.54 pot=21.48 Rg=31.692 SPS=1601
bl=3431 pos[1]=[10.2 23.9 -38.8] dr=1.92 t=35310.0ps kin=1.55 pot=21.50 Rg=31.694 SPS=1581
bl=3432 pos[1]=[9.3 23.1 -41.5] dr=1.87 t=35320.0ps kin=1.54 pot=21.50 Rg=31.718 SPS=1585
bl=3433 pos[1]=[8.6 24.3 -43.6] dr=2.06 t=35330.0ps kin=1.56 pot=21.49 Rg=31.698 SPS=1607
bl=3434 pos[1]=[8.1 22.5 -44.9] dr=1.95 t=35340.0ps kin=1.45 pot=21.52 Rg=31.729 SPS=1561
bl=3435 pos[1]=[11.1 22.2 -44.8] dr=1.92 t=35350.0ps kin=1.51 pot=21.50 Rg=31.789 SPS=1571
bl=3436 pos[1]=[10.2 21.7 -43.5] dr=1.87 t=35360.0ps kin=1.53 pot=21.49 Rg=31.879 SPS=1479
bl=3437 pos[1]=[11.7 20.7 -41.6] dr=1.96 t=35370.0ps kin=1.50 pot=21.53 Rg=31.954 SPS=1564
bl=3438 pos[1]=[12.3 20.2 -39.6] dr=1.90 t=35380.0ps kin=1.53 pot=21.56 Rg=32.005 SPS=1625
bl=3439 pos[1]=[14.1 22.2 -39.4] dr=1.94 t=35390.0ps kin=1.49 pot=21.51 Rg=31.933 SPS=1614
bl=3440 pos[1]=[14.1 19.9 -39.7] dr=2.01 t=35400.0ps kin=1.50 pot=21.49 Rg=31.879 SPS=1585
bl=3441 pos[1]=[12.7 24.8 -41.3] dr=1.96 t=35410.0ps kin=1.48 pot=21.48 Rg=32.032 SPS=1592
bl=3442 pos[1]=[15.8 26.3 -42.0] dr=1.97 t=35420.0ps kin=1.50 pot=21.47 Rg=32.123 SPS=1598
bl=3443 pos[1]=[16.0 25.1 -45.0] dr=1.97 t=35430.0ps kin=1.51 pot=21.51 Rg=32.118 SPS=1576
bl=3444 pos[1]=[14.9 24.2 -44.6] dr=1.91 t=35440.0ps kin=1.46 pot=21.52 Rg=32.175 SPS=1602
bl=3445 pos[1]=[13.7 25.2 -47.0] dr=2.01 t=35450.0ps kin=1.46 pot=21.50 Rg=32.297 SPS=1595
bl=3446 pos[1]=[13.6 23.5 -48.5] dr=1.90 t=35460.0ps kin=1.50 pot=21.49 Rg=32.281 SPS=1575
bl=3447 pos[1]=[13.3 22.6 -50.0] dr=1.90 t=35470.0ps kin=1.50 pot=21.54 Rg=32.244 SPS=1607
bl=3448 pos[1]=[10.6 21.9 -49.6] dr=1.97 t=35480.0ps kin=1.51 pot=21.50 Rg=32.250 SPS=1603
bl=3449 pos[1]=[8.6 20.8 -46.5] dr=1.92 t=35490.0ps kin=1.51 pot=21.54 Rg=32.284 SPS=1588
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.24164383 1.14187246 -6.81248477] Rg = 32.283684
median bond size is 0.9706618310496563
three shortest/longest (<10)/ bonds are [0.88007364 0.89733201 0.89890106] [1.08421179 1.11254803 1.1227206 ]
95 percentile of distance to center is: 51.679499284072264
density of closest 95% monomers is: 0.0022281262437799784
density of the core monomers is: 0.016177068292093765
min/median/mean/max coordinates are:
x: -32.63, 9.26, 9.24, 62.53
y: -36.82, 4.75, 1.14, 42.90
z: -49.06, -6.02, -6.81, 13.34
Statistics for velocities:
mean kinetic energy is: 1.51884944847198 should be: 1.5
fastest particles are (in kT): [7.89262435 8.60967371 8.76892081 8.77536542 9.74107878]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.539200774336283
bl=3450 pos[1]=[8.4 21.5 -46.4] dr=1.94 t=35500.0ps kin=1.49 pot=21.49 Rg=32.411 SPS=1588
bl=3451 pos[1]=[8.1 21.7 -45.2] dr=1.90 t=35510.0ps kin=1.49 pot=21.50 Rg=32.495 SPS=1594
bl=3452 pos[1]=[6.8 22.4 -46.9] dr=1.94 t=35520.0ps kin=1.52 pot=21.52 Rg=32.619 SPS=1596
bl=3453 pos[1]=[6.9 21.9 -45.5] dr=1.90 t=35530.0ps kin=1.54 pot=21.52 Rg=32.672 SPS=1606
bl=3454 pos[1]=[7.6 20.2 -42.4] dr=1.98 t=35540.0ps kin=1.48 pot=21.49 Rg=32.644 SPS=1601
bl=3455 pos[1]=[7.6 19.0 -41.4] dr=1.94 t=35550.0ps kin=1.50 pot=21.53 Rg=32.661 SPS=1603
bl=3456 pos[1]=[4.2 19.9 -42.8] dr=1.90 t=35560.0ps kin=1.48 pot=21.49 Rg=32.614 SPS=1603
bl=3457 pos[1]=[5.1 20.3 -43.3] dr=1.91 t=35570.0ps kin=1.49 pot=21.51 Rg=32.627 SPS=1588
bl=3458 pos[1]=[5.9 20.3 -43.8] dr=1.93 t=35580.0ps kin=1.50 pot=21.50 Rg=32.672 SPS=1624
bl=3459 pos[1]=[4.5 17.4 -42.5] dr=1.93 t=35590.0ps kin=1.45 pot=21.53 Rg=32.651 SPS=1598
bl=3460 pos[1]=[5.5 16.1 -41.0] dr=1.88 t=35600.0ps kin=1.45 pot=21.51 Rg=32.690 SPS=1630
bl=3461 pos[1]=[5.1 16.0 -43.6] dr=1.88 t=35610.0ps kin=1.45 pot=21.50 Rg=32.730 SPS=1625
bl=3462 pos[1]=[7.8 18.2 -43.1] dr=1.84 t=35620.0ps kin=1.49 pot=21.51 Rg=32.732 SPS=1570
bl=3463 pos[1]=[7.0 19.0 -47.1] dr=1.92 t=35630.0ps kin=1.51 pot=21.48 Rg=32.611 SPS=1700
bl=3464 pos[1]=[8.8 20.1 -49.9] dr=1.85 t=35640.0ps kin=1.53 pot=21.54 Rg=32.564 SPS=1646
bl=3465 pos[1]=[12.5 18.4 -49.5] dr=1.90 t=35650.0ps kin=1.49 pot=21.50 Rg=32.585 SPS=1607
bl=3466 pos[1]=[10.3 17.6 -48.9] dr=1.85 t=35660.0ps kin=1.46 pot=21.50 Rg=32.650 SPS=1615
bl=3467 pos[1]=[6.9 16.8 -46.4] dr=1.97 t=35670.0ps kin=1.48 pot=21.54 Rg=32.710 SPS=1672
bl=3468 pos[1]=[6.8 17.9 -47.0] dr=1.99 t=35680.0ps kin=1.56 pot=21.48 Rg=32.719 SPS=1632
bl=3469 pos[1]=[9.1 16.5 -46.9] dr=1.98 t=35690.0ps kin=1.53 pot=21.55 Rg=32.671 SPS=1614
bl=3470 pos[1]=[9.4 18.1 -45.8] dr=1.96 t=35700.0ps kin=1.52 pot=21.53 Rg=32.769 SPS=1636
bl=3471 pos[1]=[8.3 21.0 -46.1] dr=1.99 t=35710.0ps kin=1.55 pot=21.49 Rg=32.798 SPS=1636
bl=3472 pos[1]=[8.0 20.4 -42.6] dr=2.05 t=35720.0ps kin=1.55 pot=21.53 Rg=32.810 SPS=1622
bl=3473 pos[1]=[6.5 20.3 -41.9] dr=1.95 t=35730.0ps kin=1.48 pot=21.54 Rg=32.816 SPS=1634
bl=3474 pos[1]=[4.4 16.9 -41.5] dr=1.96 t=35740.0ps kin=1.50 pot=21.52 Rg=32.763 SPS=1606
bl=3475 pos[1]=[3.3 16.1 -43.7] dr=1.91 t=35750.0ps kin=1.51 pot=21.49 Rg=32.786 SPS=1606
bl=3476 pos[1]=[1.3 14.8 -45.7] dr=1.94 t=35760.0ps kin=1.54 pot=21.53 Rg=32.856 SPS=1600
bl=3477 pos[1]=[0.2 16.6 -45.2] dr=1.87 t=35770.0ps kin=1.53 pot=21.51 Rg=32.866 SPS=1639
bl=3478 pos[1]=[0.1 17.1 -43.4] dr=1.90 t=35780.0ps kin=1.48 pot=21.55 Rg=32.873 SPS=1637
bl=3479 pos[1]=[1.9 17.7 -44.1] dr=1.93 t=35790.0ps kin=1.51 pot=21.51 Rg=32.852 SPS=1638
bl=3480 pos[1]=[1.5 17.9 -47.5] dr=1.93 t=35800.0ps kin=1.54 pot=21.51 Rg=33.002 SPS=1608
bl=3481 pos[1]=[1.6 14.8 -48.9] dr=1.87 t=35810.0ps kin=1.47 pot=21.56 Rg=33.173 SPS=1595
bl=3482 pos[1]=[2.3 13.7 -50.1] dr=1.91 t=35820.0ps kin=1.48 pot=21.56 Rg=33.205 SPS=1606
bl=3483 pos[1]=[5.0 15.4 -52.1] dr=2.00 t=35830.0ps kin=1.52 pot=21.52 Rg=33.187 SPS=1572
bl=3484 pos[1]=[7.4 14.6 -52.6] dr=1.96 t=35840.0ps kin=1.47 pot=21.49 Rg=33.115 SPS=1658
bl=3485 pos[1]=[8.6 11.8 -53.4] dr=1.98 t=35850.0ps kin=1.53 pot=21.53 Rg=33.052 SPS=1598
bl=3486 pos[1]=[7.2 11.8 -52.6] dr=1.91 t=35860.0ps kin=1.45 pot=21.50 Rg=32.892 SPS=1584
bl=3487 pos[1]=[5.9 12.5 -49.6] dr=1.90 t=35870.0ps kin=1.48 pot=21.52 Rg=32.834 SPS=1638
bl=3488 pos[1]=[5.5 13.7 -52.5] dr=1.91 t=35880.0ps kin=1.51 pot=21.49 Rg=32.768 SPS=1665
bl=3489 pos[1]=[5.2 12.8 -51.6] dr=1.93 t=35890.0ps kin=1.51 pot=21.50 Rg=32.755 SPS=1618
bl=3490 pos[1]=[5.4 13.1 -49.1] dr=1.93 t=35900.0ps kin=1.47 pot=21.48 Rg=32.733 SPS=1634
bl=3491 pos[1]=[5.0 15.0 -52.2] dr=1.90 t=35910.0ps kin=1.46 pot=21.53 Rg=32.687 SPS=1614
bl=3492 pos[1]=[4.3 13.2 -53.1] dr=1.92 t=35920.0ps kin=1.57 pot=21.48 Rg=32.714 SPS=1619
bl=3493 pos[1]=[6.3 13.8 -52.5] dr=1.96 t=35930.0ps kin=1.52 pot=21.53 Rg=32.765 SPS=1632
bl=3494 pos[1]=[5.3 14.6 -48.3] dr=1.95 t=35940.0ps kin=1.47 pot=21.54 Rg=32.725 SPS=1627
bl=3495 pos[1]=[5.0 15.9 -47.0] dr=1.90 t=35950.0ps kin=1.49 pot=21.49 Rg=32.854 SPS=1601
bl=3496 pos[1]=[5.7 15.4 -44.2] dr=1.98 t=35960.0ps kin=1.52 pot=21.53 Rg=33.011 SPS=1599
bl=3497 pos[1]=[5.8 14.0 -42.8] dr=1.96 t=35970.0ps kin=1.49 pot=21.57 Rg=33.028 SPS=1600
bl=3498 pos[1]=[3.5 13.2 -42.8] dr=1.91 t=35980.0ps kin=1.49 pot=21.52 Rg=33.059 SPS=1605
bl=3499 pos[1]=[5.8 14.0 -43.5] dr=1.81 t=35990.0ps kin=1.44 pot=21.54 Rg=32.959 SPS=1604
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.39448114 0.63268789 -7.86866994] Rg = 32.959118
median bond size is 0.9693821939717894
three shortest/longest (<10)/ bonds are [0.88094267 0.88284753 0.88452437] [1.0975492 1.10024192 1.10944323]
95 percentile of distance to center is: 51.846726631245424
density of closest 95% monomers is: 0.002206635795599859
density of the core monomers is: 0.016338010518774166
min/median/mean/max coordinates are:
x: -30.24, 8.56, 9.39, 59.21
y: -36.52, 1.21, 0.63, 42.24
z: -46.26, -6.48, -7.87, 17.85
Statistics for velocities:
mean kinetic energy is: 1.441896403463456 should be: 1.5
fastest particles are (in kT): [6.64411833 7.02384224 7.1544214 7.30156953 8.13109957]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.54030408831121
bl=3500 pos[1]=[6.9 17.7 -44.5] dr=1.90 t=36000.0ps kin=1.53 pot=21.56 Rg=32.840 SPS=1588
bl=3501 pos[1]=[6.1 17.4 -42.5] dr=1.95 t=36010.0ps kin=1.53 pot=21.53 Rg=32.713 SPS=1606
bl=3502 pos[1]=[7.6 18.6 -41.3] dr=1.93 t=36020.0ps kin=1.48 pot=21.51 Rg=32.689 SPS=1608
bl=3503 pos[1]=[7.5 18.8 -43.0] dr=1.94 t=36030.0ps kin=1.46 pot=21.58 Rg=32.773 SPS=1590
bl=3504 pos[1]=[7.3 18.4 -46.7] dr=1.90 t=36040.0ps kin=1.50 pot=21.50 Rg=32.829 SPS=1621
bl=3505 pos[1]=[6.8 18.7 -46.2] dr=1.89 t=36050.0ps kin=1.47 pot=21.52 Rg=32.773 SPS=1598
bl=3506 pos[1]=[6.7 17.5 -44.3] dr=1.93 t=36060.0ps kin=1.47 pot=21.51 Rg=32.638 SPS=1578
bl=3507 pos[1]=[5.3 16.7 -46.0] dr=1.97 t=36070.0ps kin=1.51 pot=21.51 Rg=32.484 SPS=1496
bl=3508 pos[1]=[6.6 17.9 -46.7] dr=1.92 t=36080.0ps kin=1.55 pot=21.48 Rg=32.501 SPS=1594
bl=3509 pos[1]=[5.2 16.9 -46.6] dr=1.95 t=36090.0ps kin=1.58 pot=21.51 Rg=32.610 SPS=1575
bl=3510 pos[1]=[7.1 15.6 -47.8] dr=2.01 t=36100.0ps kin=1.52 pot=21.56 Rg=32.645 SPS=1603
bl=3511 pos[1]=[10.8 10.5 -48.9] dr=2.01 t=36110.0ps kin=1.56 pot=21.55 Rg=32.644 SPS=1634
bl=3512 pos[1]=[14.7 14.4 -46.3] dr=1.92 t=36120.0ps kin=1.48 pot=21.53 Rg=32.622 SPS=1615
bl=3513 pos[1]=[11.4 16.7 -46.5] dr=1.85 t=36130.0ps kin=1.45 pot=21.50 Rg=32.606 SPS=1655
bl=3514 pos[1]=[9.9 16.3 -48.9] dr=1.93 t=36140.0ps kin=1.52 pot=21.53 Rg=32.598 SPS=1621
bl=3515 pos[1]=[8.9 17.5 -49.2] dr=1.92 t=36150.0ps kin=1.46 pot=21.52 Rg=32.512 SPS=1599
bl=3516 pos[1]=[9.6 15.4 -47.8] dr=1.91 t=36160.0ps kin=1.46 pot=21.52 Rg=32.372 SPS=1616
bl=3517 pos[1]=[10.0 16.3 -46.6] dr=1.97 t=36170.0ps kin=1.47 pot=21.52 Rg=32.185 SPS=1587
bl=3518 pos[1]=[10.6 15.0 -45.3] dr=1.94 t=36180.0ps kin=1.50 pot=21.52 Rg=32.087 SPS=1584
bl=3519 pos[1]=[12.4 14.0 -46.9] dr=1.94 t=36190.0ps kin=1.50 pot=21.51 Rg=32.047 SPS=1568
bl=3520 pos[1]=[11.0 13.0 -45.1] dr=1.91 t=36200.0ps kin=1.49 pot=21.49 Rg=31.952 SPS=1563
bl=3521 pos[1]=[14.4 13.4 -43.1] dr=1.93 t=36210.0ps kin=1.50 pot=21.53 Rg=31.874 SPS=1593
bl=3522 pos[1]=[18.7 12.8 -43.0] dr=1.83 t=36220.0ps kin=1.47 pot=21.51 Rg=31.906 SPS=1597
bl=3523 pos[1]=[20.5 12.9 -43.0] dr=1.87 t=36230.0ps kin=1.53 pot=21.49 Rg=32.061 SPS=1585
bl=3524 pos[1]=[23.6 13.7 -43.4] dr=1.97 t=36240.0ps kin=1.54 pot=21.49 Rg=32.137 SPS=1566
bl=3525 pos[1]=[25.3 14.6 -44.9] dr=1.97 t=36250.0ps kin=1.46 pot=21.50 Rg=32.193 SPS=1578
bl=3526 pos[1]=[26.5 13.4 -40.5] dr=1.96 t=36260.0ps kin=1.51 pot=21.48 Rg=32.232 SPS=1604
bl=3527 pos[1]=[20.7 11.8 -41.9] dr=1.94 t=36270.0ps kin=1.51 pot=21.53 Rg=32.323 SPS=1589
bl=3528 pos[1]=[19.9 14.4 -43.0] dr=1.91 t=36280.0ps kin=1.49 pot=21.52 Rg=32.296 SPS=1582
bl=3529 pos[1]=[21.2 13.6 -45.5] dr=1.94 t=36290.0ps kin=1.54 pot=21.51 Rg=32.222 SPS=1568
bl=3530 pos[1]=[17.8 15.0 -43.9] dr=1.90 t=36300.0ps kin=1.48 pot=21.51 Rg=32.082 SPS=1523
bl=3531 pos[1]=[15.0 14.1 -41.5] dr=1.92 t=36310.0ps kin=1.45 pot=21.48 Rg=31.957 SPS=1653
bl=3532 pos[1]=[16.3 10.6 -41.4] dr=1.84 t=36320.0ps kin=1.45 pot=21.48 Rg=31.929 SPS=1613
bl=3533 pos[1]=[13.1 10.3 -42.6] dr=1.88 t=36330.0ps kin=1.51 pot=21.50 Rg=31.873 SPS=1610
bl=3534 pos[1]=[14.6 9.1 -44.9] dr=1.89 t=36340.0ps kin=1.52 pot=21.53 Rg=31.821 SPS=1600
bl=3535 pos[1]=[18.1 10.2 -46.4] dr=1.91 t=36350.0ps kin=1.47 pot=21.54 Rg=31.810 SPS=1591
bl=3536 pos[1]=[17.6 9.9 -44.2] dr=1.92 t=36360.0ps kin=1.48 pot=21.49 Rg=31.901 SPS=1585
bl=3537 pos[1]=[17.1 11.6 -43.9] dr=1.89 t=36370.0ps kin=1.53 pot=21.48 Rg=32.011 SPS=1599
bl=3538 pos[1]=[18.2 12.2 -48.1] dr=1.84 t=36380.0ps kin=1.45 pot=21.50 Rg=32.069 SPS=1568
bl=3539 pos[1]=[20.6 11.9 -48.3] dr=1.87 t=36390.0ps kin=1.50 pot=21.52 Rg=32.156 SPS=1604
bl=3540 pos[1]=[21.0 10.9 -47.4] dr=1.89 t=36400.0ps kin=1.56 pot=21.52 Rg=32.197 SPS=1614
bl=3541 pos[1]=[22.1 10.8 -46.0] dr=1.97 t=36410.0ps kin=1.55 pot=21.46 Rg=32.335 SPS=1586
bl=3542 pos[1]=[23.5 10.3 -47.1] dr=1.90 t=36420.0ps kin=1.46 pot=21.50 Rg=32.427 SPS=1598
bl=3543 pos[1]=[21.1 11.1 -44.9] dr=1.91 t=36430.0ps kin=1.48 pot=21.55 Rg=32.328 SPS=1499
bl=3544 pos[1]=[22.5 10.9 -43.4] dr=1.97 t=36440.0ps kin=1.50 pot=21.48 Rg=32.253 SPS=1545
bl=3545 pos[1]=[19.6 8.0 -44.7] dr=1.96 t=36450.0ps kin=1.47 pot=21.55 Rg=32.158 SPS=1616
bl=3546 pos[1]=[17.2 7.3 -43.2] dr=1.92 t=36460.0ps kin=1.47 pot=21.50 Rg=32.128 SPS=1641
bl=3547 pos[1]=[18.7 7.4 -43.2] dr=1.88 t=36470.0ps kin=1.51 pot=21.53 Rg=32.132 SPS=1635
bl=3548 pos[1]=[16.3 9.6 -40.6] dr=1.92 t=36480.0ps kin=1.48 pot=21.55 Rg=32.233 SPS=1614
bl=3549 pos[1]=[12.5 10.4 -41.4] dr=1.90 t=36490.0ps kin=1.50 pot=21.48 Rg=32.335 SPS=1600
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.009089 0.63584408 -7.70098629] Rg = 32.335377
median bond size is 0.9666466953910013
three shortest/longest (<10)/ bonds are [0.88058916 0.88476079 0.89271611] [1.09235511 1.09336297 1.0976963 ]
95 percentile of distance to center is: 51.41929835772004
density of closest 95% monomers is: 0.0022621231643253055
density of the core monomers is: 0.01917709059114908
min/median/mean/max coordinates are:
x: -31.71, 11.06, 9.01, 57.56
y: -39.28, 2.54, 0.64, 43.81
z: -45.12, -6.28, -7.70, 14.14
Statistics for velocities:
mean kinetic energy is: 1.5002826836073357 should be: 1.5
fastest particles are (in kT): [7.44645058 7.81306529 8.10888887 8.38621152 9.40522574]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.484399486080385
bl=3550 pos[1]=[12.7 10.4 -41.0] dr=1.88 t=36500.0ps kin=1.48 pot=21.50 Rg=32.436 SPS=1612
bl=3551 pos[1]=[15.5 13.0 -42.7] dr=1.88 t=36510.0ps kin=1.52 pot=21.54 Rg=32.560 SPS=1625
bl=3552 pos[1]=[16.9 12.0 -47.4] dr=1.96 t=36520.0ps kin=1.56 pot=21.48 Rg=32.607 SPS=1613
bl=3553 pos[1]=[18.9 10.8 -49.3] dr=1.91 t=36530.0ps kin=1.47 pot=21.52 Rg=32.638 SPS=1600
bl=3554 pos[1]=[19.2 10.4 -49.8] dr=1.95 t=36540.0ps kin=1.53 pot=21.46 Rg=32.693 SPS=1598
bl=3555 pos[1]=[16.6 8.6 -47.9] dr=1.90 t=36550.0ps kin=1.47 pot=21.57 Rg=32.757 SPS=1592
bl=3556 pos[1]=[13.4 8.1 -46.9] dr=2.00 t=36560.0ps kin=1.54 pot=21.52 Rg=32.752 SPS=1582
bl=3557 pos[1]=[15.1 5.5 -45.5] dr=2.01 t=36570.0ps kin=1.57 pot=21.46 Rg=32.839 SPS=1587
bl=3558 pos[1]=[15.5 4.6 -47.3] dr=1.92 t=36580.0ps kin=1.53 pot=21.52 Rg=32.840 SPS=1604
bl=3559 pos[1]=[13.4 4.9 -46.1] dr=1.95 t=36590.0ps kin=1.47 pot=21.51 Rg=32.730 SPS=1506
bl=3560 pos[1]=[12.5 5.3 -44.4] dr=1.99 t=36600.0ps kin=1.51 pot=21.53 Rg=32.606 SPS=1640
bl=3561 pos[1]=[12.3 3.4 -39.6] dr=1.90 t=36610.0ps kin=1.46 pot=21.52 Rg=32.560 SPS=1586
bl=3562 pos[1]=[16.7 3.2 -41.6] dr=1.92 t=36620.0ps kin=1.49 pot=21.52 Rg=32.527 SPS=1559
bl=3563 pos[1]=[17.5 4.0 -40.9] dr=2.00 t=36630.0ps kin=1.49 pot=21.49 Rg=32.481 SPS=1583
bl=3564 pos[1]=[18.3 6.5 -40.5] dr=1.87 t=36640.0ps kin=1.45 pot=21.52 Rg=32.420 SPS=1641
bl=3565 pos[1]=[18.1 8.9 -40.3] dr=1.96 t=36650.0ps kin=1.54 pot=21.48 Rg=32.349 SPS=1649
bl=3566 pos[1]=[16.4 11.4 -42.1] dr=1.94 t=36660.0ps kin=1.58 pot=21.52 Rg=32.248 SPS=1587
bl=3567 pos[1]=[15.0 13.8 -39.7] dr=1.96 t=36670.0ps kin=1.47 pot=21.56 Rg=32.244 SPS=1549
bl=3568 pos[1]=[12.9 10.4 -37.7] dr=1.90 t=36680.0ps kin=1.50 pot=21.47 Rg=32.238 SPS=1582
bl=3569 pos[1]=[15.8 9.4 -38.4] dr=1.87 t=36690.0ps kin=1.42 pot=21.50 Rg=32.195 SPS=1581
bl=3570 pos[1]=[16.1 10.2 -37.7] dr=1.86 t=36700.0ps kin=1.50 pot=21.52 Rg=32.189 SPS=1576
bl=3571 pos[1]=[17.1 10.4 -37.3] dr=1.79 t=36710.0ps kin=1.48 pot=21.53 Rg=32.152 SPS=1590
bl=3572 pos[1]=[17.1 10.8 -37.5] dr=1.87 t=36720.0ps kin=1.52 pot=21.51 Rg=32.099 SPS=1597
bl=3573 pos[1]=[15.6 11.4 -37.7] dr=1.88 t=36730.0ps kin=1.46 pot=21.55 Rg=32.133 SPS=1561
bl=3574 pos[1]=[16.9 10.3 -38.6] dr=1.91 t=36740.0ps kin=1.54 pot=21.47 Rg=32.139 SPS=1588
bl=3575 pos[1]=[15.1 9.4 -39.6] dr=1.95 t=36750.0ps kin=1.51 pot=21.50 Rg=32.180 SPS=1590
bl=3576 pos[1]=[11.8 9.2 -41.1] dr=1.96 t=36760.0ps kin=1.54 pot=21.52 Rg=32.119 SPS=1564
bl=3577 pos[1]=[12.2 8.6 -43.4] dr=1.90 t=36770.0ps kin=1.49 pot=21.49 Rg=31.964 SPS=1637
bl=3578 pos[1]=[11.2 6.9 -43.0] dr=1.88 t=36780.0ps kin=1.49 pot=21.50 Rg=31.896 SPS=1643
bl=3579 pos[1]=[10.6 7.5 -42.1] dr=1.96 t=36790.0ps kin=1.53 pot=21.51 Rg=31.905 SPS=1597
bl=3580 pos[1]=[12.5 9.4 -38.4] dr=1.91 t=36800.0ps kin=1.45 pot=21.52 Rg=31.918 SPS=1595
bl=3581 pos[1]=[16.3 10.7 -37.9] dr=1.92 t=36810.0ps kin=1.48 pot=21.45 Rg=31.962 SPS=1593
bl=3582 pos[1]=[16.7 8.8 -38.6] dr=1.91 t=36820.0ps kin=1.49 pot=21.53 Rg=32.066 SPS=1477
bl=3583 pos[1]=[15.6 9.5 -38.5] dr=1.94 t=36830.0ps kin=1.51 pot=21.52 Rg=32.101 SPS=1598
bl=3584 pos[1]=[14.4 11.5 -38.6] dr=1.90 t=36840.0ps kin=1.49 pot=21.48 Rg=32.040 SPS=1618
bl=3585 pos[1]=[15.3 11.1 -40.7] dr=1.90 t=36850.0ps kin=1.47 pot=21.51 Rg=32.085 SPS=1582
bl=3586 pos[1]=[13.2 12.1 -42.3] dr=1.87 t=36860.0ps kin=1.50 pot=21.53 Rg=32.152 SPS=1621
bl=3587 pos[1]=[11.8 8.7 -42.0] dr=1.94 t=36870.0ps kin=1.52 pot=21.47 Rg=32.088 SPS=1593
bl=3588 pos[1]=[10.2 6.5 -40.7] dr=1.99 t=36880.0ps kin=1.54 pot=21.52 Rg=32.145 SPS=1578
bl=3589 pos[1]=[10.8 5.1 -42.9] dr=1.94 t=36890.0ps kin=1.52 pot=21.54 Rg=32.158 SPS=1613
bl=3590 pos[1]=[12.4 8.6 -40.2] dr=2.03 t=36900.0ps kin=1.54 pot=21.55 Rg=32.091 SPS=1580
bl=3591 pos[1]=[8.6 8.8 -42.3] dr=2.01 t=36910.0ps kin=1.47 pot=21.52 Rg=32.088 SPS=1605
bl=3592 pos[1]=[8.9 9.4 -43.2] dr=1.91 t=36920.0ps kin=1.43 pot=21.52 Rg=32.100 SPS=1626
bl=3593 pos[1]=[7.5 6.0 -45.0] dr=1.93 t=36930.0ps kin=1.45 pot=21.53 Rg=32.254 SPS=1597
bl=3594 pos[1]=[6.2 6.3 -46.7] dr=2.00 t=36940.0ps kin=1.51 pot=21.47 Rg=32.330 SPS=1633
bl=3595 pos[1]=[4.2 6.4 -44.3] dr=1.92 t=36950.0ps kin=1.48 pot=21.51 Rg=32.326 SPS=1624
bl=3596 pos[1]=[4.0 8.7 -45.2] dr=1.95 t=36960.0ps kin=1.56 pot=21.53 Rg=32.281 SPS=1591
bl=3597 pos[1]=[5.1 8.6 -42.6] dr=1.93 t=36970.0ps kin=1.52 pot=21.53 Rg=32.129 SPS=1591
bl=3598 pos[1]=[5.5 6.7 -45.5] dr=1.93 t=36980.0ps kin=1.55 pot=21.50 Rg=32.080 SPS=1591
bl=3599 pos[1]=[6.5 9.6 -47.7] dr=1.94 t=36990.0ps kin=1.52 pot=21.49 Rg=32.023 SPS=1571
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.23547959 -0.55596411 -7.10068308] Rg = 32.0227
median bond size is 0.9687460413081368
three shortest/longest (<10)/ bonds are [0.88692415 0.89085407 0.89504278] [1.07237721 1.07944891 1.08721111]
95 percentile of distance to center is: 49.96923076351274
density of closest 95% monomers is: 0.0024648284259109242
density of the core monomers is: 0.008924581165711355
min/median/mean/max coordinates are:
x: -34.73, 9.72, 8.24, 55.86
y: -36.58, -0.90, -0.56, 37.81
z: -49.19, -5.34, -7.10, 14.26
Statistics for velocities:
mean kinetic energy is: 1.5248533731079523 should be: 1.5
fastest particles are (in kT): [6.21376824 6.33173627 6.37292517 6.45646471 6.5858779 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.49173810840708
bl=3600 pos[1]=[8.5 8.7 -47.0] dr=1.92 t=37000.0ps kin=1.49 pot=21.48 Rg=31.983 SPS=1592
bl=3601 pos[1]=[9.4 10.2 -47.1] dr=1.90 t=37010.0ps kin=1.48 pot=21.48 Rg=32.046 SPS=1588
bl=3602 pos[1]=[8.9 10.7 -45.0] dr=1.96 t=37020.0ps kin=1.49 pot=21.48 Rg=32.077 SPS=1605
bl=3603 pos[1]=[9.4 8.4 -46.3] dr=1.90 t=37030.0ps kin=1.44 pot=21.46 Rg=32.065 SPS=1604
bl=3604 pos[1]=[9.1 8.6 -47.2] dr=1.94 t=37040.0ps kin=1.53 pot=21.46 Rg=31.993 SPS=1599
bl=3605 pos[1]=[11.0 9.7 -46.2] dr=1.91 t=37050.0ps kin=1.50 pot=21.49 Rg=31.952 SPS=1470
bl=3606 pos[1]=[11.9 7.1 -44.2] dr=1.89 t=37060.0ps kin=1.46 pot=21.48 Rg=31.983 SPS=1616
bl=3607 pos[1]=[12.7 8.4 -43.2] dr=1.91 t=37070.0ps kin=1.49 pot=21.50 Rg=32.050 SPS=1582
bl=3608 pos[1]=[14.6 8.1 -44.8] dr=1.98 t=37080.0ps kin=1.47 pot=21.53 Rg=32.069 SPS=1355
bl=3609 pos[1]=[15.8 6.9 -44.0] dr=1.92 t=37090.0ps kin=1.56 pot=21.49 Rg=32.091 SPS=1593
bl=3610 pos[1]=[18.8 6.5 -44.7] dr=1.88 t=37100.0ps kin=1.51 pot=21.49 Rg=32.136 SPS=1601
bl=3611 pos[1]=[16.3 6.0 -43.0] dr=1.96 t=37110.0ps kin=1.43 pot=21.46 Rg=32.153 SPS=1627
bl=3612 pos[1]=[16.6 7.2 -41.8] dr=1.94 t=37120.0ps kin=1.47 pot=21.46 Rg=32.203 SPS=1620
bl=3613 pos[1]=[16.5 7.7 -42.3] dr=1.84 t=37130.0ps kin=1.52 pot=21.50 Rg=32.362 SPS=1597
bl=3614 pos[1]=[18.3 7.4 -43.5] dr=1.89 t=37140.0ps kin=1.50 pot=21.53 Rg=32.501 SPS=1577
bl=3615 pos[1]=[19.9 6.7 -45.4] dr=1.91 t=37150.0ps kin=1.48 pot=21.47 Rg=32.679 SPS=1591
bl=3616 pos[1]=[20.3 8.9 -45.3] dr=1.91 t=37160.0ps kin=1.48 pot=21.56 Rg=32.725 SPS=1586
bl=3617 pos[1]=[20.6 11.8 -44.6] dr=1.93 t=37170.0ps kin=1.52 pot=21.54 Rg=32.711 SPS=1577
bl=3618 pos[1]=[17.9 14.1 -45.5] dr=1.88 t=37180.0ps kin=1.48 pot=21.54 Rg=32.698 SPS=1605
bl=3619 pos[1]=[15.2 14.2 -46.5] dr=1.95 t=37190.0ps kin=1.56 pot=21.49 Rg=32.558 SPS=1571
bl=3620 pos[1]=[15.6 10.1 -46.5] dr=1.88 t=37200.0ps kin=1.48 pot=21.46 Rg=32.369 SPS=1580
bl=3621 pos[1]=[17.8 8.5 -45.3] dr=1.82 t=37210.0ps kin=1.51 pot=21.49 Rg=32.370 SPS=1591
bl=3622 pos[1]=[17.2 8.5 -44.8] dr=1.95 t=37220.0ps kin=1.47 pot=21.46 Rg=32.374 SPS=1575
bl=3623 pos[1]=[18.4 8.5 -43.5] dr=1.92 t=37230.0ps kin=1.52 pot=21.49 Rg=32.290 SPS=1666
bl=3624 pos[1]=[17.2 7.4 -42.7] dr=1.97 t=37240.0ps kin=1.46 pot=21.49 Rg=32.307 SPS=1596
bl=3625 pos[1]=[16.2 8.8 -43.5] dr=1.81 t=37250.0ps kin=1.48 pot=21.48 Rg=32.294 SPS=1570
bl=3626 pos[1]=[18.1 7.2 -45.5] dr=1.97 t=37260.0ps kin=1.50 pot=21.50 Rg=32.299 SPS=1583
bl=3627 pos[1]=[21.1 7.8 -47.2] dr=1.97 t=37270.0ps kin=1.46 pot=21.51 Rg=32.293 SPS=1603
bl=3628 pos[1]=[21.2 8.0 -46.5] dr=1.90 t=37280.0ps kin=1.51 pot=21.50 Rg=32.387 SPS=1491
bl=3629 pos[1]=[20.7 9.4 -45.3] dr=1.91 t=37290.0ps kin=1.50 pot=21.50 Rg=32.527 SPS=1590
bl=3630 pos[1]=[19.4 7.9 -47.6] dr=1.92 t=37300.0ps kin=1.50 pot=21.50 Rg=32.561 SPS=1565
bl=3631 pos[1]=[18.2 6.3 -49.8] dr=1.94 t=37310.0ps kin=1.46 pot=21.48 Rg=32.554 SPS=1584
bl=3632 pos[1]=[21.8 8.2 -50.9] dr=1.90 t=37320.0ps kin=1.47 pot=21.47 Rg=32.600 SPS=1586
bl=3633 pos[1]=[24.2 7.7 -50.9] dr=1.87 t=37330.0ps kin=1.46 pot=21.53 Rg=32.725 SPS=1561
bl=3634 pos[1]=[25.6 7.5 -48.5] dr=1.91 t=37340.0ps kin=1.52 pot=21.46 Rg=32.716 SPS=1576
bl=3635 pos[1]=[23.4 5.0 -51.2] dr=1.92 t=37350.0ps kin=1.43 pot=21.52 Rg=32.583 SPS=1617
bl=3636 pos[1]=[19.8 4.7 -50.8] dr=1.91 t=37360.0ps kin=1.48 pot=21.50 Rg=32.541 SPS=1613
bl=3637 pos[1]=[20.5 3.2 -49.8] dr=1.96 t=37370.0ps kin=1.55 pot=21.50 Rg=32.597 SPS=1591
bl=3638 pos[1]=[20.7 2.2 -45.6] dr=2.04 t=37380.0ps kin=1.52 pot=21.50 Rg=32.619 SPS=1604
bl=3639 pos[1]=[23.7 2.4 -46.2] dr=1.99 t=37390.0ps kin=1.57 pot=21.51 Rg=32.514 SPS=1580
bl=3640 pos[1]=[24.4 2.4 -49.6] dr=1.93 t=37400.0ps kin=1.47 pot=21.48 Rg=32.511 SPS=1596
bl=3641 pos[1]=[25.5 5.8 -52.1] dr=1.88 t=37410.0ps kin=1.49 pot=21.50 Rg=32.578 SPS=1607
bl=3642 pos[1]=[25.8 5.1 -52.4] dr=1.94 t=37420.0ps kin=1.51 pot=21.51 Rg=32.655 SPS=1563
bl=3643 pos[1]=[24.1 5.9 -53.2] dr=1.90 t=37430.0ps kin=1.52 pot=21.50 Rg=32.754 SPS=1564
bl=3644 pos[1]=[25.4 7.2 -53.7] dr=1.93 t=37440.0ps kin=1.50 pot=21.49 Rg=32.837 SPS=1594
bl=3645 pos[1]=[22.2 9.1 -52.4] dr=1.97 t=37450.0ps kin=1.48 pot=21.48 Rg=32.734 SPS=1578
bl=3646 pos[1]=[18.5 7.8 -53.8] dr=1.94 t=37460.0ps kin=1.46 pot=21.50 Rg=32.703 SPS=1588
bl=3647 pos[1]=[17.0 7.9 -50.3] dr=1.94 t=37470.0ps kin=1.49 pot=21.48 Rg=32.609 SPS=1597
bl=3648 pos[1]=[14.5 6.0 -49.4] dr=1.94 t=37480.0ps kin=1.51 pot=21.51 Rg=32.564 SPS=1584
bl=3649 pos[1]=[15.0 4.3 -50.1] dr=1.91 t=37490.0ps kin=1.59 pot=21.49 Rg=32.456 SPS=1594
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.09798537 1.26430449 -8.22009016] Rg = 32.455627
median bond size is 0.9669463976721139
three shortest/longest (<10)/ bonds are [0.87813786 0.8782008 0.88498203] [1.09173978 1.09904391 1.10006577]
95 percentile of distance to center is: 50.728843429517966
density of closest 95% monomers is: 0.002355753270690921
density of the core monomers is: 0.017581769338445758
min/median/mean/max coordinates are:
x: -35.87, 13.92, 9.10, 54.53
y: -33.15, 2.80, 1.26, 37.59
z: -50.80, -6.54, -8.22, 19.79
Statistics for velocities:
mean kinetic energy is: 1.5957030423244116 should be: 1.5
fastest particles are (in kT): [7.40242048 7.82930554 8.10094392 9.18677051 9.80430143]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.493676829830385
bl=3650 pos[1]=[14.1 4.0 -50.0] dr=1.99 t=37500.0ps kin=1.52 pot=21.49 Rg=32.341 SPS=1564
bl=3651 pos[1]=[16.7 5.8 -51.1] dr=1.98 t=37510.0ps kin=1.56 pot=21.53 Rg=32.361 SPS=1518
bl=3652 pos[1]=[19.3 6.3 -53.9] dr=1.87 t=37520.0ps kin=1.53 pot=21.53 Rg=32.343 SPS=1613
bl=3653 pos[1]=[19.3 6.8 -51.8] dr=1.91 t=37530.0ps kin=1.51 pot=21.53 Rg=32.301 SPS=1557
bl=3654 pos[1]=[20.8 6.3 -51.0] dr=1.92 t=37540.0ps kin=1.49 pot=21.55 Rg=32.307 SPS=1588
bl=3655 pos[1]=[20.6 5.3 -51.3] dr=1.89 t=37550.0ps kin=1.52 pot=21.53 Rg=32.327 SPS=1566
bl=3656 pos[1]=[21.2 7.7 -50.3] dr=1.89 t=37560.0ps kin=1.50 pot=21.52 Rg=32.305 SPS=1590
bl=3657 pos[1]=[19.9 8.4 -48.4] dr=1.94 t=37570.0ps kin=1.53 pot=21.54 Rg=32.346 SPS=1591
bl=3658 pos[1]=[20.5 7.4 -44.7] dr=1.90 t=37580.0ps kin=1.49 pot=21.52 Rg=32.361 SPS=1563
bl=3659 pos[1]=[21.7 5.4 -45.4] dr=1.92 t=37590.0ps kin=1.54 pot=21.54 Rg=32.413 SPS=1588
bl=3660 pos[1]=[18.9 5.7 -47.7] dr=1.93 t=37600.0ps kin=1.48 pot=21.47 Rg=32.406 SPS=1608
bl=3661 pos[1]=[20.2 6.4 -50.5] dr=1.91 t=37610.0ps kin=1.49 pot=21.55 Rg=32.413 SPS=1609
bl=3662 pos[1]=[22.7 3.1 -49.6] dr=1.87 t=37620.0ps kin=1.44 pot=21.48 Rg=32.528 SPS=1592
bl=3663 pos[1]=[22.9 1.8 -52.6] dr=1.88 t=37630.0ps kin=1.43 pot=21.51 Rg=32.640 SPS=1592
bl=3664 pos[1]=[21.4 0.8 -52.8] dr=2.00 t=37640.0ps kin=1.56 pot=21.49 Rg=32.773 SPS=1592
bl=3665 pos[1]=[21.2 -0.7 -52.4] dr=1.90 t=37650.0ps kin=1.46 pot=21.57 Rg=32.911 SPS=1610
bl=3666 pos[1]=[18.7 -0.8 -53.0] dr=1.90 t=37660.0ps kin=1.50 pot=21.50 Rg=33.028 SPS=1593
bl=3667 pos[1]=[18.6 -1.1 -54.5] dr=1.89 t=37670.0ps kin=1.49 pot=21.48 Rg=33.086 SPS=1601
bl=3668 pos[1]=[20.1 0.7 -54.1] dr=1.95 t=37680.0ps kin=1.55 pot=21.53 Rg=33.102 SPS=1607
bl=3669 pos[1]=[21.4 -1.0 -52.5] dr=1.90 t=37690.0ps kin=1.52 pot=21.46 Rg=33.095 SPS=1645
bl=3670 pos[1]=[22.7 -0.8 -50.6] dr=1.86 t=37700.0ps kin=1.52 pot=21.47 Rg=33.093 SPS=1642
bl=3671 pos[1]=[23.3 2.3 -49.5] dr=1.91 t=37710.0ps kin=1.50 pot=21.48 Rg=33.142 SPS=1632
bl=3672 pos[1]=[24.3 2.6 -49.5] dr=1.91 t=37720.0ps kin=1.47 pot=21.52 Rg=33.183 SPS=1630
bl=3673 pos[1]=[24.7 1.3 -49.8] dr=1.89 t=37730.0ps kin=1.49 pot=21.51 Rg=33.194 SPS=1546
bl=3674 pos[1]=[22.5 -0.7 -47.0] dr=1.91 t=37740.0ps kin=1.47 pot=21.50 Rg=33.227 SPS=1588
bl=3675 pos[1]=[21.2 -0.7 -45.8] dr=1.92 t=37750.0ps kin=1.46 pot=21.49 Rg=33.279 SPS=1606
bl=3676 pos[1]=[21.1 1.3 -49.6] dr=1.96 t=37760.0ps kin=1.50 pot=21.53 Rg=33.404 SPS=1567
bl=3677 pos[1]=[19.9 2.3 -50.4] dr=1.95 t=37770.0ps kin=1.51 pot=21.51 Rg=33.549 SPS=1590
bl=3678 pos[1]=[20.1 -0.8 -50.2] dr=1.95 t=37780.0ps kin=1.58 pot=21.53 Rg=33.617 SPS=1605
bl=3679 pos[1]=[20.7 -0.8 -49.7] dr=1.97 t=37790.0ps kin=1.48 pot=21.53 Rg=33.591 SPS=1576
bl=3680 pos[1]=[22.4 0.3 -48.8] dr=1.91 t=37800.0ps kin=1.44 pot=21.54 Rg=33.710 SPS=1588
bl=3681 pos[1]=[21.5 0.7 -49.8] dr=1.85 t=37810.0ps kin=1.46 pot=21.54 Rg=33.810 SPS=1581
bl=3682 pos[1]=[20.1 -2.0 -47.9] dr=1.90 t=37820.0ps kin=1.51 pot=21.51 Rg=33.823 SPS=1574
bl=3683 pos[1]=[16.6 -1.9 -46.8] dr=1.94 t=37830.0ps kin=1.51 pot=21.52 Rg=33.743 SPS=1574
bl=3684 pos[1]=[15.5 -2.0 -47.3] dr=1.96 t=37840.0ps kin=1.53 pot=21.50 Rg=33.625 SPS=1596
bl=3685 pos[1]=[17.8 -2.3 -47.8] dr=1.95 t=37850.0ps kin=1.53 pot=21.53 Rg=33.559 SPS=1581
bl=3686 pos[1]=[20.5 -2.0 -49.1] dr=1.96 t=37860.0ps kin=1.52 pot=21.52 Rg=33.467 SPS=1618
bl=3687 pos[1]=[20.9 -2.6 -51.3] dr=1.93 t=37870.0ps kin=1.55 pot=21.48 Rg=33.439 SPS=1591
bl=3688 pos[1]=[21.4 -4.1 -51.8] dr=2.00 t=37880.0ps kin=1.56 pot=21.53 Rg=33.386 SPS=1601
bl=3689 pos[1]=[22.6 -4.9 -52.2] dr=1.99 t=37890.0ps kin=1.51 pot=21.54 Rg=33.261 SPS=1563
bl=3690 pos[1]=[19.6 -3.3 -51.2] dr=1.94 t=37900.0ps kin=1.51 pot=21.53 Rg=33.260 SPS=1606
bl=3691 pos[1]=[20.4 -3.0 -49.0] dr=1.92 t=37910.0ps kin=1.53 pot=21.53 Rg=33.126 SPS=1573
bl=3692 pos[1]=[23.7 -4.2 -49.7] dr=2.00 t=37920.0ps kin=1.53 pot=21.53 Rg=33.021 SPS=1603
bl=3693 pos[1]=[27.2 -2.8 -48.2] dr=1.92 t=37930.0ps kin=1.55 pot=21.54 Rg=33.049 SPS=1613
bl=3694 pos[1]=[28.3 -4.0 -47.0] dr=1.93 t=37940.0ps kin=1.51 pot=21.54 Rg=33.011 SPS=1524
bl=3695 pos[1]=[27.7 -3.9 -46.8] dr=1.88 t=37950.0ps kin=1.48 pot=21.51 Rg=33.054 SPS=1595
bl=3696 pos[1]=[25.7 -3.5 -47.2] dr=1.92 t=37960.0ps kin=1.50 pot=21.51 Rg=32.987 SPS=1593
bl=3697 pos[1]=[25.9 -2.1 -46.6] dr=1.83 t=37970.0ps kin=1.46 pot=21.51 Rg=32.913 SPS=1578
bl=3698 pos[1]=[25.9 -2.7 -48.3] dr=1.94 t=37980.0ps kin=1.55 pot=21.49 Rg=32.970 SPS=1655
bl=3699 pos[1]=[27.1 -3.8 -49.2] dr=1.83 t=37990.0ps kin=1.49 pot=21.53 Rg=32.980 SPS=1636
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.1691371 1.83539947 -9.25268843] Rg = 32.979797
median bond size is 0.97077517656964
three shortest/longest (<10)/ bonds are [0.88464005 0.88903841 0.88974512] [1.08592401 1.08746026 1.08785788]
95 percentile of distance to center is: 48.049910527845185
density of closest 95% monomers is: 0.002772151337072116
density of the core monomers is: 0.00929681672122957
min/median/mean/max coordinates are:
x: -28.44, 13.11, 10.17, 53.85
y: -32.63, 2.74, 1.84, 37.74
z: -49.88, -7.06, -9.25, 18.57
Statistics for velocities:
mean kinetic energy is: 1.4900887484605119 should be: 1.5
fastest particles are (in kT): [ 7.64943221 7.70648804 8.18313162 9.92365507 10.69347358]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.531381072547934
bl=3700 pos[1]=[28.3 -2.8 -48.4] dr=1.85 t=38000.0ps kin=1.52 pot=21.52 Rg=32.968 SPS=1578
bl=3701 pos[1]=[28.3 -3.0 -51.6] dr=1.96 t=38010.0ps kin=1.50 pot=21.52 Rg=33.021 SPS=1618
bl=3702 pos[1]=[26.7 -5.1 -51.8] dr=1.86 t=38020.0ps kin=1.50 pot=21.49 Rg=33.218 SPS=1577
bl=3703 pos[1]=[25.0 -4.0 -50.5] dr=1.97 t=38030.0ps kin=1.58 pot=21.49 Rg=33.301 SPS=1608
bl=3704 pos[1]=[25.6 -4.0 -50.2] dr=1.97 t=38040.0ps kin=1.53 pot=21.52 Rg=33.309 SPS=1621
bl=3705 pos[1]=[25.0 -2.7 -50.4] dr=1.98 t=38050.0ps kin=1.48 pot=21.56 Rg=33.301 SPS=1582
bl=3706 pos[1]=[24.6 -1.5 -51.5] dr=1.89 t=38060.0ps kin=1.52 pot=21.55 Rg=33.249 SPS=1605
bl=3707 pos[1]=[26.4 -2.0 -52.7] dr=1.85 t=38070.0ps kin=1.49 pot=21.55 Rg=33.126 SPS=1572
bl=3708 pos[1]=[25.4 -4.0 -52.2] dr=1.91 t=38080.0ps kin=1.54 pot=21.54 Rg=33.129 SPS=1569
bl=3709 pos[1]=[26.0 -2.2 -50.5] dr=1.95 t=38090.0ps kin=1.51 pot=21.53 Rg=33.112 SPS=1607
bl=3710 pos[1]=[28.4 -2.0 -50.6] dr=1.96 t=38100.0ps kin=1.48 pot=21.51 Rg=33.090 SPS=1594
bl=3711 pos[1]=[27.5 -0.7 -51.0] dr=1.97 t=38110.0ps kin=1.49 pot=21.49 Rg=33.058 SPS=1573
bl=3712 pos[1]=[27.5 1.2 -50.3] dr=1.94 t=38120.0ps kin=1.49 pot=21.45 Rg=32.996 SPS=1595
bl=3713 pos[1]=[27.8 1.6 -51.4] dr=1.95 t=38130.0ps kin=1.53 pot=21.52 Rg=32.868 SPS=1599
bl=3714 pos[1]=[27.9 3.7 -50.2] dr=1.94 t=38140.0ps kin=1.50 pot=21.53 Rg=32.742 SPS=1580
bl=3715 pos[1]=[26.8 3.8 -51.2] dr=1.94 t=38150.0ps kin=1.52 pot=21.53 Rg=32.681 SPS=1594
bl=3716 pos[1]=[27.3 2.7 -51.3] dr=1.93 t=38160.0ps kin=1.56 pot=21.54 Rg=32.612 SPS=1568
bl=3717 pos[1]=[27.1 2.2 -52.7] dr=1.88 t=38170.0ps kin=1.56 pot=21.52 Rg=32.689 SPS=1579
bl=3718 pos[1]=[28.5 2.2 -52.3] dr=1.93 t=38180.0ps kin=1.52 pot=21.54 Rg=32.681 SPS=1597
bl=3719 pos[1]=[29.9 2.5 -51.8] dr=1.93 t=38190.0ps kin=1.55 pot=21.56 Rg=32.711 SPS=1617
bl=3720 pos[1]=[33.5 3.2 -51.5] dr=1.90 t=38200.0ps kin=1.52 pot=21.54 Rg=32.715 SPS=1588
bl=3721 pos[1]=[30.5 3.8 -53.5] dr=1.94 t=38210.0ps kin=1.55 pot=21.54 Rg=32.767 SPS=1636
bl=3722 pos[1]=[30.4 4.5 -56.1] dr=1.89 t=38220.0ps kin=1.51 pot=21.57 Rg=32.803 SPS=1609
bl=3723 pos[1]=[29.5 3.6 -56.8] dr=1.99 t=38230.0ps kin=1.56 pot=21.47 Rg=32.945 SPS=1569
bl=3724 pos[1]=[30.0 4.4 -58.1] dr=1.92 t=38240.0ps kin=1.51 pot=21.52 Rg=33.012 SPS=1567
bl=3725 pos[1]=[30.4 6.5 -58.7] dr=1.79 t=38250.0ps kin=1.46 pot=21.51 Rg=33.010 SPS=1600
bl=3726 pos[1]=[30.2 6.7 -59.6] dr=1.94 t=38260.0ps kin=1.50 pot=21.48 Rg=33.069 SPS=1590
bl=3727 pos[1]=[26.6 7.0 -58.4] dr=1.99 t=38270.0ps kin=1.51 pot=21.50 Rg=33.112 SPS=1611
bl=3728 pos[1]=[26.7 8.8 -59.0] dr=2.00 t=38280.0ps kin=1.51 pot=21.49 Rg=33.126 SPS=1626
bl=3729 pos[1]=[27.4 10.9 -56.5] dr=1.91 t=38290.0ps kin=1.52 pot=21.50 Rg=33.236 SPS=1635
bl=3730 pos[1]=[27.6 10.1 -53.4] dr=1.91 t=38300.0ps kin=1.50 pot=21.53 Rg=33.255 SPS=1635
bl=3731 pos[1]=[24.3 11.0 -54.4] dr=1.89 t=38310.0ps kin=1.49 pot=21.51 Rg=33.242 SPS=1612
bl=3732 pos[1]=[25.8 10.7 -55.0] dr=1.92 t=38320.0ps kin=1.49 pot=21.48 Rg=33.383 SPS=1633
bl=3733 pos[1]=[25.9 11.6 -54.4] dr=1.98 t=38330.0ps kin=1.46 pot=21.44 Rg=33.481 SPS=1602
bl=3734 pos[1]=[24.9 11.8 -55.3] dr=1.89 t=38340.0ps kin=1.55 pot=21.51 Rg=33.608 SPS=1621
bl=3735 pos[1]=[26.0 12.4 -56.2] dr=1.92 t=38350.0ps kin=1.56 pot=21.49 Rg=33.687 SPS=1611
bl=3736 pos[1]=[24.2 12.7 -55.7] dr=1.97 t=38360.0ps kin=1.46 pot=21.47 Rg=33.723 SPS=1632
bl=3737 pos[1]=[23.9 14.9 -55.0] dr=1.92 t=38370.0ps kin=1.51 pot=21.49 Rg=33.690 SPS=1568
bl=3738 pos[1]=[23.7 14.9 -56.4] dr=1.97 t=38380.0ps kin=1.49 pot=21.47 Rg=33.610 SPS=1609
bl=3739 pos[1]=[23.3 13.6 -55.9] dr=1.93 t=38390.0ps kin=1.52 pot=21.50 Rg=33.488 SPS=1606
bl=3740 pos[1]=[23.5 13.6 -55.6] dr=1.92 t=38400.0ps kin=1.50 pot=21.54 Rg=33.433 SPS=1620
bl=3741 pos[1]=[24.2 15.7 -57.9] dr=1.92 t=38410.0ps kin=1.57 pot=21.56 Rg=33.408 SPS=1608
bl=3742 pos[1]=[22.3 16.2 -58.5] dr=2.01 t=38420.0ps kin=1.52 pot=21.49 Rg=33.483 SPS=1608
bl=3743 pos[1]=[24.0 16.1 -60.3] dr=1.97 t=38430.0ps kin=1.51 pot=21.57 Rg=33.579 SPS=1671
bl=3744 pos[1]=[22.4 14.4 -56.7] dr=1.94 t=38440.0ps kin=1.49 pot=21.54 Rg=33.656 SPS=1697
bl=3745 pos[1]=[23.8 14.0 -56.5] dr=1.91 t=38450.0ps kin=1.51 pot=21.53 Rg=33.719 SPS=1703
bl=3746 pos[1]=[23.3 13.7 -56.5] dr=1.84 t=38460.0ps kin=1.54 pot=21.56 Rg=33.749 SPS=1663
bl=3747 pos[1]=[23.4 16.8 -56.0] dr=1.88 t=38470.0ps kin=1.52 pot=21.51 Rg=33.769 SPS=1681
bl=3748 pos[1]=[23.7 17.7 -55.2] dr=1.79 t=38480.0ps kin=1.51 pot=21.51 Rg=33.837 SPS=1664
bl=3749 pos[1]=[20.3 18.6 -55.9] dr=1.87 t=38490.0ps kin=1.48 pot=21.52 Rg=33.837 SPS=1638
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.32991829 1.7237613 -9.65404504] Rg = 33.836624
median bond size is 0.9684622350587122
three shortest/longest (<10)/ bonds are [0.88439156 0.88551361 0.88899091] [1.08108149 1.09484503 1.12365028]
95 percentile of distance to center is: 48.635844402171294
density of closest 95% monomers is: 0.0026731621572367464
density of the core monomers is: 0.015719370736496333
min/median/mean/max coordinates are:
x: -32.23, 14.37, 11.33, 54.75
y: -35.95, 4.30, 1.72, 39.44
z: -56.70, -6.95, -9.65, 21.99
Statistics for velocities:
mean kinetic energy is: 1.4865108214589682 should be: 1.5
fastest particles are (in kT): [6.28122053 6.57706912 6.67355855 6.82501224 7.27233453]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.519162518436577
bl=3750 pos[1]=[20.4 14.2 -56.4] dr=2.04 t=38500.0ps kin=1.51 pot=21.51 Rg=33.790 SPS=1642
bl=3751 pos[1]=[21.2 14.9 -56.6] dr=1.95 t=38510.0ps kin=1.52 pot=21.51 Rg=33.747 SPS=1651
bl=3752 pos[1]=[21.4 15.4 -56.0] dr=1.88 t=38520.0ps kin=1.52 pot=21.47 Rg=33.835 SPS=1659
bl=3753 pos[1]=[22.5 16.8 -54.8] dr=1.92 t=38530.0ps kin=1.51 pot=21.45 Rg=33.885 SPS=1701
bl=3754 pos[1]=[24.7 14.4 -54.6] dr=1.92 t=38540.0ps kin=1.47 pot=21.54 Rg=33.900 SPS=1663
bl=3755 pos[1]=[23.0 15.4 -53.0] dr=1.98 t=38550.0ps kin=1.50 pot=21.52 Rg=33.752 SPS=1652
bl=3756 pos[1]=[22.7 15.1 -53.5] dr=1.94 t=38560.0ps kin=1.47 pot=21.46 Rg=33.681 SPS=1650
bl=3757 pos[1]=[22.0 14.4 -52.5] dr=1.90 t=38570.0ps kin=1.46 pot=21.48 Rg=33.498 SPS=1674
bl=3758 pos[1]=[20.5 14.0 -53.7] dr=1.90 t=38580.0ps kin=1.46 pot=21.44 Rg=33.321 SPS=1517
bl=3759 pos[1]=[20.7 15.3 -54.7] dr=1.89 t=38590.0ps kin=1.46 pot=21.50 Rg=33.345 SPS=1624
bl=3760 pos[1]=[19.6 15.9 -54.4] dr=1.95 t=38600.0ps kin=1.51 pot=21.52 Rg=33.321 SPS=1600
bl=3761 pos[1]=[20.4 15.8 -57.0] dr=1.92 t=38610.0ps kin=1.50 pot=21.54 Rg=33.293 SPS=1561
bl=3762 pos[1]=[19.7 16.0 -56.8] dr=1.89 t=38620.0ps kin=1.48 pot=21.50 Rg=33.376 SPS=1671
bl=3763 pos[1]=[20.7 19.6 -54.1] dr=1.94 t=38630.0ps kin=1.49 pot=21.48 Rg=33.456 SPS=1672
bl=3764 pos[1]=[22.7 19.2 -55.6] dr=1.90 t=38640.0ps kin=1.45 pot=21.49 Rg=33.510 SPS=1606
bl=3765 pos[1]=[22.6 16.7 -54.5] dr=1.94 t=38650.0ps kin=1.56 pot=21.48 Rg=33.655 SPS=1633
bl=3766 pos[1]=[21.8 15.4 -55.0] dr=1.94 t=38660.0ps kin=1.52 pot=21.55 Rg=33.711 SPS=1567
bl=3767 pos[1]=[22.2 15.9 -52.7] dr=1.91 t=38670.0ps kin=1.56 pot=21.48 Rg=33.697 SPS=1603
bl=3768 pos[1]=[25.7 16.5 -51.8] dr=1.91 t=38680.0ps kin=1.51 pot=21.52 Rg=33.744 SPS=1605
bl=3769 pos[1]=[29.1 17.4 -52.8] dr=1.92 t=38690.0ps kin=1.54 pot=21.51 Rg=33.761 SPS=1569
bl=3770 pos[1]=[27.3 16.9 -53.8] dr=1.86 t=38700.0ps kin=1.48 pot=21.51 Rg=33.660 SPS=1605
bl=3771 pos[1]=[26.1 15.3 -56.4] dr=1.87 t=38710.0ps kin=1.48 pot=21.53 Rg=33.635 SPS=1591
bl=3772 pos[1]=[23.8 12.8 -54.5] dr=1.87 t=38720.0ps kin=1.44 pot=21.58 Rg=33.591 SPS=1622
bl=3773 pos[1]=[23.8 13.3 -56.8] dr=1.90 t=38730.0ps kin=1.43 pot=21.52 Rg=33.566 SPS=1641
bl=3774 pos[1]=[22.1 13.0 -58.2] dr=1.94 t=38740.0ps kin=1.53 pot=21.61 Rg=33.582 SPS=1618
bl=3775 pos[1]=[21.9 16.2 -57.7] dr=1.98 t=38750.0ps kin=1.54 pot=21.53 Rg=33.579 SPS=1604
bl=3776 pos[1]=[17.6 15.2 -59.0] dr=1.88 t=38760.0ps kin=1.47 pot=21.46 Rg=33.620 SPS=1591
bl=3777 pos[1]=[19.5 12.9 -57.7] dr=1.96 t=38770.0ps kin=1.45 pot=21.48 Rg=33.774 SPS=1604
bl=3778 pos[1]=[21.4 11.3 -56.2] dr=1.97 t=38780.0ps kin=1.47 pot=21.47 Rg=33.802 SPS=1604
bl=3779 pos[1]=[18.4 7.0 -55.9] dr=1.96 t=38790.0ps kin=1.45 pot=21.48 Rg=33.860 SPS=1602
bl=3780 pos[1]=[18.4 7.1 -60.0] dr=1.91 t=38800.0ps kin=1.46 pot=21.48 Rg=33.847 SPS=1520
bl=3781 pos[1]=[16.7 9.5 -60.1] dr=1.94 t=38810.0ps kin=1.44 pot=21.51 Rg=33.869 SPS=1594
bl=3782 pos[1]=[17.2 8.8 -59.8] dr=1.94 t=38820.0ps kin=1.56 pot=21.51 Rg=33.925 SPS=1608
bl=3783 pos[1]=[15.6 8.1 -58.3] dr=1.96 t=38830.0ps kin=1.54 pot=21.55 Rg=34.056 SPS=1627
bl=3784 pos[1]=[14.3 9.6 -56.7] dr=1.98 t=38840.0ps kin=1.42 pot=21.50 Rg=34.147 SPS=1596
bl=3785 pos[1]=[14.4 8.5 -56.0] dr=1.93 t=38850.0ps kin=1.48 pot=21.49 Rg=34.110 SPS=1595
bl=3786 pos[1]=[15.2 9.3 -57.2] dr=1.92 t=38860.0ps kin=1.47 pot=21.53 Rg=34.123 SPS=1578
bl=3787 pos[1]=[17.6 11.8 -56.6] dr=1.93 t=38870.0ps kin=1.51 pot=21.50 Rg=34.268 SPS=1578
bl=3788 pos[1]=[18.4 10.5 -58.1] dr=1.96 t=38880.0ps kin=1.54 pot=21.51 Rg=34.314 SPS=1612
bl=3789 pos[1]=[19.0 9.8 -61.1] dr=1.95 t=38890.0ps kin=1.54 pot=21.49 Rg=34.340 SPS=1570
bl=3790 pos[1]=[15.7 10.6 -62.1] dr=1.97 t=38900.0ps kin=1.48 pot=21.51 Rg=34.307 SPS=1609
bl=3791 pos[1]=[16.3 6.3 -63.2] dr=1.97 t=38910.0ps kin=1.51 pot=21.46 Rg=34.322 SPS=1641
bl=3792 pos[1]=[18.7 6.5 -64.8] dr=1.88 t=38920.0ps kin=1.49 pot=21.54 Rg=34.257 SPS=1595
bl=3793 pos[1]=[18.6 7.1 -63.3] dr=1.87 t=38930.0ps kin=1.50 pot=21.53 Rg=34.243 SPS=1599
bl=3794 pos[1]=[18.9 6.5 -62.9] dr=1.95 t=38940.0ps kin=1.45 pot=21.54 Rg=34.276 SPS=1583
bl=3795 pos[1]=[18.6 4.9 -62.1] dr=1.97 t=38950.0ps kin=1.50 pot=21.48 Rg=34.386 SPS=1607
bl=3796 pos[1]=[19.0 5.2 -62.5] dr=1.94 t=38960.0ps kin=1.53 pot=21.51 Rg=34.358 SPS=1578
bl=3797 pos[1]=[19.6 5.9 -61.5] dr=1.94 t=38970.0ps kin=1.46 pot=21.52 Rg=34.240 SPS=1580
bl=3798 pos[1]=[18.9 8.2 -59.4] dr=1.95 t=38980.0ps kin=1.46 pot=21.48 Rg=34.230 SPS=1583
bl=3799 pos[1]=[19.8 12.0 -58.4] dr=1.90 t=38990.0ps kin=1.49 pot=21.50 Rg=34.274 SPS=1576
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.00129718 1.51855582 -9.4427985 ] Rg = 34.274498
median bond size is 0.9693220982659343
three shortest/longest (<10)/ bonds are [0.88066574 0.88592785 0.88848047] [1.07989068 1.08025986 1.08243429]
95 percentile of distance to center is: 49.452691140830936
density of closest 95% monomers is: 0.0025428743133785615
density of the core monomers is: 0.005168345596103905
min/median/mean/max coordinates are:
x: -31.54, 16.48, 11.00, 55.54
y: -34.63, 3.93, 1.52, 35.07
z: -59.50, -5.29, -9.44, 20.34
Statistics for velocities:
mean kinetic energy is: 1.4872923091909975 should be: 1.5
fastest particles are (in kT): [6.31306792 6.38088236 6.8157656 7.66679317 7.91574727]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.50142307337758
bl=3800 pos[1]=[17.3 13.7 -59.0] dr=1.93 t=39000.0ps kin=1.46 pot=21.50 Rg=34.297 SPS=1558
bl=3801 pos[1]=[19.7 14.6 -56.8] dr=1.95 t=39010.0ps kin=1.50 pot=21.51 Rg=34.360 SPS=1497
bl=3802 pos[1]=[21.1 12.8 -54.9] dr=1.98 t=39020.0ps kin=1.53 pot=21.54 Rg=34.483 SPS=1609
bl=3803 pos[1]=[19.6 12.9 -56.0] dr=1.96 t=39030.0ps kin=1.49 pot=21.51 Rg=34.519 SPS=1619
bl=3804 pos[1]=[20.0 13.5 -54.6] dr=1.87 t=39040.0ps kin=1.53 pot=21.46 Rg=34.594 SPS=1587
bl=3805 pos[1]=[22.2 13.6 -54.7] dr=1.95 t=39050.0ps kin=1.51 pot=21.52 Rg=34.590 SPS=1598
bl=3806 pos[1]=[24.5 13.8 -56.5] dr=1.97 t=39060.0ps kin=1.55 pot=21.51 Rg=34.633 SPS=1599
bl=3807 pos[1]=[22.3 14.5 -57.4] dr=1.88 t=39070.0ps kin=1.48 pot=21.50 Rg=34.594 SPS=1574
bl=3808 pos[1]=[24.1 15.3 -57.0] dr=1.87 t=39080.0ps kin=1.49 pot=21.48 Rg=34.581 SPS=1619
bl=3809 pos[1]=[25.1 14.0 -58.6] dr=1.93 t=39090.0ps kin=1.51 pot=21.49 Rg=34.603 SPS=1662
bl=3810 pos[1]=[23.2 10.4 -57.6] dr=1.90 t=39100.0ps kin=1.54 pot=21.46 Rg=34.686 SPS=1600
bl=3811 pos[1]=[20.9 13.0 -58.3] dr=1.98 t=39110.0ps kin=1.52 pot=21.53 Rg=34.808 SPS=1589
bl=3812 pos[1]=[21.5 15.5 -57.3] dr=1.93 t=39120.0ps kin=1.52 pot=21.50 Rg=34.886 SPS=1569
bl=3813 pos[1]=[20.6 15.3 -57.5] dr=2.00 t=39130.0ps kin=1.50 pot=21.48 Rg=34.901 SPS=1595
bl=3814 pos[1]=[20.6 14.7 -56.5] dr=1.97 t=39140.0ps kin=1.52 pot=21.55 Rg=34.999 SPS=1601
bl=3815 pos[1]=[20.8 16.3 -55.8] dr=1.92 t=39150.0ps kin=1.53 pot=21.50 Rg=35.022 SPS=1609
bl=3816 pos[1]=[21.9 15.6 -56.6] dr=2.01 t=39160.0ps kin=1.55 pot=21.50 Rg=34.977 SPS=1566
bl=3817 pos[1]=[22.6 15.5 -56.4] dr=1.94 t=39170.0ps kin=1.50 pot=21.56 Rg=34.953 SPS=1585
bl=3818 pos[1]=[23.7 14.4 -57.6] dr=1.95 t=39180.0ps kin=1.50 pot=21.50 Rg=34.992 SPS=1609
bl=3819 pos[1]=[25.9 15.3 -58.0] dr=1.91 t=39190.0ps kin=1.48 pot=21.53 Rg=35.097 SPS=1589
bl=3820 pos[1]=[25.8 14.9 -58.9] dr=1.92 t=39200.0ps kin=1.56 pot=21.53 Rg=35.178 SPS=1603
bl=3821 pos[1]=[25.3 15.5 -56.6] dr=1.92 t=39210.0ps kin=1.53 pot=21.50 Rg=35.166 SPS=1604
bl=3822 pos[1]=[25.8 13.0 -56.1] dr=2.02 t=39220.0ps kin=1.57 pot=21.48 Rg=35.137 SPS=1601
bl=3823 pos[1]=[23.8 13.0 -56.5] dr=1.88 t=39230.0ps kin=1.50 pot=21.50 Rg=35.182 SPS=1592
bl=3824 pos[1]=[25.6 13.9 -55.7] dr=1.93 t=39240.0ps kin=1.55 pot=21.50 Rg=35.262 SPS=1598
bl=3825 pos[1]=[26.0 16.3 -57.2] dr=1.97 t=39250.0ps kin=1.48 pot=21.53 Rg=35.294 SPS=1591
bl=3826 pos[1]=[25.8 18.7 -57.8] dr=1.99 t=39260.0ps kin=1.54 pot=21.53 Rg=35.229 SPS=1630
bl=3827 pos[1]=[27.7 15.9 -55.4] dr=1.93 t=39270.0ps kin=1.53 pot=21.51 Rg=35.139 SPS=1629
bl=3828 pos[1]=[28.5 16.7 -55.8] dr=1.92 t=39280.0ps kin=1.51 pot=21.52 Rg=35.125 SPS=1615
bl=3829 pos[1]=[29.9 15.0 -53.4] dr=1.90 t=39290.0ps kin=1.52 pot=21.51 Rg=35.187 SPS=1629
bl=3830 pos[1]=[33.0 12.6 -52.6] dr=1.94 t=39300.0ps kin=1.53 pot=21.50 Rg=35.149 SPS=1569
bl=3831 pos[1]=[37.6 14.0 -51.0] dr=1.96 t=39310.0ps kin=1.48 pot=21.48 Rg=35.033 SPS=1618
bl=3832 pos[1]=[38.1 16.4 -53.1] dr=1.88 t=39320.0ps kin=1.48 pot=21.53 Rg=34.884 SPS=1599
bl=3833 pos[1]=[39.1 15.1 -52.7] dr=1.92 t=39330.0ps kin=1.44 pot=21.48 Rg=34.817 SPS=1592
bl=3834 pos[1]=[36.1 13.8 -52.0] dr=1.90 t=39340.0ps kin=1.50 pot=21.50 Rg=34.857 SPS=1583
bl=3835 pos[1]=[36.3 10.6 -53.7] dr=1.93 t=39350.0ps kin=1.48 pot=21.53 Rg=34.848 SPS=1595
bl=3836 pos[1]=[37.3 11.4 -54.4] dr=1.86 t=39360.0ps kin=1.51 pot=21.52 Rg=34.869 SPS=1585
bl=3837 pos[1]=[37.5 9.7 -55.1] dr=1.91 t=39370.0ps kin=1.52 pot=21.50 Rg=34.818 SPS=1572
bl=3838 pos[1]=[39.0 11.6 -55.7] dr=1.92 t=39380.0ps kin=1.49 pot=21.51 Rg=34.852 SPS=1614
bl=3839 pos[1]=[38.0 12.6 -53.5] dr=1.87 t=39390.0ps kin=1.47 pot=21.52 Rg=34.813 SPS=1586
bl=3840 pos[1]=[36.0 12.2 -52.9] dr=1.92 t=39400.0ps kin=1.51 pot=21.47 Rg=34.924 SPS=1570
bl=3841 pos[1]=[34.2 14.6 -52.3] dr=1.90 t=39410.0ps kin=1.51 pot=21.56 Rg=34.996 SPS=1570
bl=3842 pos[1]=[35.2 14.1 -50.8] dr=1.89 t=39420.0ps kin=1.50 pot=21.51 Rg=35.051 SPS=1594
bl=3843 pos[1]=[36.8 14.0 -50.1] dr=1.90 t=39430.0ps kin=1.48 pot=21.47 Rg=34.998 SPS=1587
bl=3844 pos[1]=[36.1 11.1 -50.7] dr=1.93 t=39440.0ps kin=1.50 pot=21.58 Rg=34.985 SPS=1582
bl=3845 pos[1]=[35.0 11.2 -51.1] dr=1.89 t=39450.0ps kin=1.48 pot=21.55 Rg=35.029 SPS=1596
bl=3846 pos[1]=[32.4 10.9 -53.3] dr=1.93 t=39460.0ps kin=1.53 pot=21.54 Rg=35.083 SPS=1606
bl=3847 pos[1]=[30.4 13.0 -50.6] dr=1.92 t=39470.0ps kin=1.53 pot=21.58 Rg=35.003 SPS=1600
bl=3848 pos[1]=[28.3 13.5 -49.6] dr=1.97 t=39480.0ps kin=1.51 pot=21.52 Rg=34.984 SPS=1594
bl=3849 pos[1]=[25.1 14.8 -49.1] dr=1.99 t=39490.0ps kin=1.53 pot=21.51 Rg=35.012 SPS=1579
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.34041929 1.74554364 -8.38966267] Rg = 35.011616
median bond size is 0.9671366122536338
three shortest/longest (<10)/ bonds are [0.87707124 0.88727538 0.88792812] [1.08442009 1.10152215 1.1194921 ]
95 percentile of distance to center is: 51.34852767087841
density of closest 95% monomers is: 0.0022714893193563
density of the core monomers is: 0.004267587416985357
min/median/mean/max coordinates are:
x: -30.00, 13.57, 10.34, 53.47
y: -38.84, 2.35, 1.75, 38.81
z: -59.48, -3.86, -8.39, 28.84
Statistics for velocities:
mean kinetic energy is: 1.5283321488167079 should be: 1.5
fastest particles are (in kT): [ 8.62432078 8.70847851 9.7720698 10.11386873 10.13894249]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.514510163163717
bl=3850 pos[1]=[26.1 16.7 -48.4] dr=1.87 t=39500.0ps kin=1.49 pot=21.55 Rg=34.994 SPS=1582
bl=3851 pos[1]=[29.0 16.2 -49.2] dr=1.94 t=39510.0ps kin=1.51 pot=21.54 Rg=34.943 SPS=1607
bl=3852 pos[1]=[30.2 16.8 -49.5] dr=1.95 t=39520.0ps kin=1.48 pot=21.51 Rg=34.877 SPS=1593
bl=3853 pos[1]=[31.2 20.5 -50.2] dr=1.89 t=39530.0ps kin=1.52 pot=21.51 Rg=34.854 SPS=1528
bl=3854 pos[1]=[30.6 21.4 -52.0] dr=1.92 t=39540.0ps kin=1.48 pot=21.53 Rg=34.908 SPS=1602
bl=3855 pos[1]=[30.2 20.7 -52.8] dr=1.95 t=39550.0ps kin=1.47 pot=21.47 Rg=34.932 SPS=1645
bl=3856 pos[1]=[32.7 19.8 -54.9] dr=1.90 t=39560.0ps kin=1.47 pot=21.51 Rg=34.897 SPS=1618
bl=3857 pos[1]=[34.2 20.0 -53.6] dr=1.94 t=39570.0ps kin=1.42 pot=21.46 Rg=34.891 SPS=1582
bl=3858 pos[1]=[34.3 21.2 -54.3] dr=1.99 t=39580.0ps kin=1.45 pot=21.48 Rg=34.878 SPS=1592
bl=3859 pos[1]=[35.8 21.5 -54.8] dr=1.85 t=39590.0ps kin=1.44 pot=21.48 Rg=34.922 SPS=1584
bl=3860 pos[1]=[35.0 21.2 -54.7] dr=1.98 t=39600.0ps kin=1.46 pot=21.51 Rg=34.840 SPS=1594
bl=3861 pos[1]=[34.2 23.2 -53.3] dr=1.97 t=39610.0ps kin=1.50 pot=21.45 Rg=34.819 SPS=1582
bl=3862 pos[1]=[33.7 23.0 -53.4] dr=1.95 t=39620.0ps kin=1.48 pot=21.52 Rg=34.852 SPS=1582
bl=3863 pos[1]=[34.0 25.3 -56.5] dr=1.97 t=39630.0ps kin=1.54 pot=21.49 Rg=34.979 SPS=1594
bl=3864 pos[1]=[33.8 25.6 -54.7] dr=1.89 t=39640.0ps kin=1.53 pot=21.52 Rg=35.101 SPS=1587
bl=3865 pos[1]=[33.0 24.3 -54.3] dr=1.89 t=39650.0ps kin=1.51 pot=21.48 Rg=35.133 SPS=1589
bl=3866 pos[1]=[35.4 22.8 -58.4] dr=1.93 t=39660.0ps kin=1.46 pot=21.49 Rg=35.161 SPS=1602
bl=3867 pos[1]=[35.8 24.0 -57.7] dr=1.91 t=39670.0ps kin=1.50 pot=21.48 Rg=35.147 SPS=1585
bl=3868 pos[1]=[34.4 23.5 -55.3] dr=1.94 t=39680.0ps kin=1.53 pot=21.45 Rg=35.113 SPS=1581
bl=3869 pos[1]=[35.4 23.8 -49.9] dr=2.00 t=39690.0ps kin=1.50 pot=21.50 Rg=35.098 SPS=1586
bl=3870 pos[1]=[33.1 24.1 -46.1] dr=2.00 t=39700.0ps kin=1.51 pot=21.53 Rg=35.198 SPS=1539
bl=3871 pos[1]=[35.4 25.2 -47.2] dr=1.98 t=39710.0ps kin=1.50 pot=21.49 Rg=35.153 SPS=1598
bl=3872 pos[1]=[32.5 24.4 -44.6] dr=1.91 t=39720.0ps kin=1.51 pot=21.50 Rg=35.051 SPS=1592
bl=3873 pos[1]=[31.0 23.5 -45.4] dr=1.94 t=39730.0ps kin=1.48 pot=21.48 Rg=34.983 SPS=1597
bl=3874 pos[1]=[30.5 21.3 -46.7] dr=1.94 t=39740.0ps kin=1.56 pot=21.48 Rg=34.992 SPS=1591
bl=3875 pos[1]=[30.1 20.9 -46.1] dr=1.96 t=39750.0ps kin=1.52 pot=21.52 Rg=35.028 SPS=1521
bl=3876 pos[1]=[29.0 20.0 -46.3] dr=1.93 t=39760.0ps kin=1.45 pot=21.49 Rg=35.050 SPS=1585
bl=3877 pos[1]=[29.7 23.1 -45.6] dr=1.96 t=39770.0ps kin=1.51 pot=21.46 Rg=35.070 SPS=1581
bl=3878 pos[1]=[25.7 24.0 -42.7] dr=1.95 t=39780.0ps kin=1.51 pot=21.52 Rg=35.186 SPS=1578
bl=3879 pos[1]=[24.3 23.4 -43.6] dr=1.97 t=39790.0ps kin=1.50 pot=21.57 Rg=35.188 SPS=1574
bl=3880 pos[1]=[24.2 23.6 -43.4] dr=2.03 t=39800.0ps kin=1.51 pot=21.47 Rg=35.125 SPS=1581
bl=3881 pos[1]=[26.0 25.1 -43.8] dr=1.95 t=39810.0ps kin=1.49 pot=21.50 Rg=35.155 SPS=1584
bl=3882 pos[1]=[25.6 23.5 -44.0] dr=1.96 t=39820.0ps kin=1.52 pot=21.51 Rg=35.301 SPS=1598
bl=3883 pos[1]=[25.3 24.0 -43.5] dr=1.94 t=39830.0ps kin=1.52 pot=21.51 Rg=35.424 SPS=1603
bl=3884 pos[1]=[23.4 21.5 -42.7] dr=2.00 t=39840.0ps kin=1.53 pot=21.53 Rg=35.408 SPS=1642
bl=3885 pos[1]=[22.3 20.7 -43.4] dr=1.97 t=39850.0ps kin=1.53 pot=21.47 Rg=35.361 SPS=1604
bl=3886 pos[1]=[23.8 20.2 -44.5] dr=1.91 t=39860.0ps kin=1.48 pot=21.51 Rg=35.266 SPS=1614
bl=3887 pos[1]=[22.7 17.9 -45.2] dr=1.97 t=39870.0ps kin=1.50 pot=21.46 Rg=35.127 SPS=1599
bl=3888 pos[1]=[24.4 18.4 -45.2] dr=1.85 t=39880.0ps kin=1.57 pot=21.47 Rg=35.041 SPS=1606
bl=3889 pos[1]=[24.0 18.9 -44.8] dr=1.91 t=39890.0ps kin=1.53 pot=21.52 Rg=35.025 SPS=1586
bl=3890 pos[1]=[20.6 22.1 -43.3] dr=1.92 t=39900.0ps kin=1.55 pot=21.51 Rg=34.997 SPS=1604
bl=3891 pos[1]=[21.3 22.1 -44.3] dr=1.88 t=39910.0ps kin=1.52 pot=21.48 Rg=34.946 SPS=1599
bl=3892 pos[1]=[21.1 18.4 -47.8] dr=1.92 t=39920.0ps kin=1.46 pot=21.50 Rg=34.915 SPS=1613
bl=3893 pos[1]=[21.4 19.7 -50.2] dr=1.89 t=39930.0ps kin=1.50 pot=21.47 Rg=34.930 SPS=1658
bl=3894 pos[1]=[23.0 18.9 -50.0] dr=1.92 t=39940.0ps kin=1.48 pot=21.49 Rg=34.961 SPS=1654
bl=3895 pos[1]=[19.7 17.0 -48.9] dr=1.94 t=39950.0ps kin=1.48 pot=21.46 Rg=34.912 SPS=1629
bl=3896 pos[1]=[20.6 20.3 -48.8] dr=1.87 t=39960.0ps kin=1.43 pot=21.53 Rg=34.858 SPS=1602
bl=3897 pos[1]=[21.6 22.2 -47.3] dr=1.93 t=39970.0ps kin=1.49 pot=21.49 Rg=34.950 SPS=1605
bl=3898 pos[1]=[22.4 23.1 -48.9] dr=1.87 t=39980.0ps kin=1.46 pot=21.49 Rg=34.987 SPS=1527
bl=3899 pos[1]=[23.4 22.8 -51.2] dr=1.87 t=39990.0ps kin=1.48 pot=21.53 Rg=35.007 SPS=1623
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.58318709 2.53674742 -9.34210964] Rg = 35.007282
median bond size is 0.9697884514518962
three shortest/longest (<10)/ bonds are [0.88183292 0.88539141 0.88588194] [1.09066425 1.09901122 1.14512329]
95 percentile of distance to center is: 47.633554551305494
density of closest 95% monomers is: 0.0028454811469445208
density of the core monomers is: 0.0031887326102751287
min/median/mean/max coordinates are:
x: -31.57, 14.99, 9.58, 46.57
y: -37.69, 2.43, 2.54, 45.57
z: -51.16, -4.16, -9.34, 19.90
Statistics for velocities:
mean kinetic energy is: 1.4804065329080123 should be: 1.5
fastest particles are (in kT): [6.29282817 6.30019801 6.81488966 7.00621229 8.53506283]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.529629597621682
bl=3900 pos[1]=[23.3 20.9 -52.3] dr=1.95 t=40000.0ps kin=1.50 pot=21.52 Rg=35.063 SPS=1584
bl=3901 pos[1]=[21.7 19.5 -50.5] dr=1.91 t=40010.0ps kin=1.48 pot=21.52 Rg=35.013 SPS=1656
bl=3902 pos[1]=[20.5 15.9 -51.4] dr=1.93 t=40020.0ps kin=1.51 pot=21.53 Rg=34.950 SPS=1629
bl=3903 pos[1]=[21.2 14.7 -50.4] dr=1.98 t=40030.0ps kin=1.53 pot=21.52 Rg=34.878 SPS=1596
bl=3904 pos[1]=[23.8 14.9 -51.0] dr=1.88 t=40040.0ps kin=1.53 pot=21.51 Rg=34.944 SPS=1616
bl=3905 pos[1]=[24.1 15.5 -50.1] dr=1.97 t=40050.0ps kin=1.55 pot=21.50 Rg=35.174 SPS=1622
bl=3906 pos[1]=[22.6 14.2 -49.2] dr=1.97 t=40060.0ps kin=1.48 pot=21.52 Rg=35.232 SPS=1603
bl=3907 pos[1]=[21.6 16.0 -51.1] dr=1.91 t=40070.0ps kin=1.47 pot=21.52 Rg=35.233 SPS=1604
bl=3908 pos[1]=[22.5 18.2 -52.3] dr=1.84 t=40080.0ps kin=1.40 pot=21.54 Rg=35.233 SPS=1583
bl=3909 pos[1]=[24.5 19.3 -50.0] dr=1.90 t=40090.0ps kin=1.50 pot=21.49 Rg=35.269 SPS=1599
bl=3910 pos[1]=[23.2 20.6 -49.4] dr=1.88 t=40100.0ps kin=1.51 pot=21.52 Rg=35.237 SPS=1599
bl=3911 pos[1]=[22.8 19.3 -50.8] dr=1.91 t=40110.0ps kin=1.49 pot=21.49 Rg=35.201 SPS=1622
bl=3912 pos[1]=[23.3 18.7 -50.4] dr=1.88 t=40120.0ps kin=1.46 pot=21.51 Rg=35.114 SPS=1631
bl=3913 pos[1]=[26.3 19.8 -49.4] dr=1.94 t=40130.0ps kin=1.50 pot=21.54 Rg=35.122 SPS=1591
bl=3914 pos[1]=[28.3 17.5 -46.0] dr=1.88 t=40140.0ps kin=1.51 pot=21.48 Rg=35.126 SPS=1573
bl=3915 pos[1]=[30.6 17.2 -45.6] dr=1.97 t=40150.0ps kin=1.50 pot=21.52 Rg=35.145 SPS=1588
bl=3916 pos[1]=[30.1 16.2 -46.5] dr=1.95 t=40160.0ps kin=1.45 pot=21.57 Rg=35.039 SPS=1564
bl=3917 pos[1]=[32.7 12.3 -45.4] dr=1.90 t=40170.0ps kin=1.48 pot=21.53 Rg=34.942 SPS=1599
bl=3918 pos[1]=[30.9 9.1 -43.9] dr=1.90 t=40180.0ps kin=1.50 pot=21.54 Rg=34.897 SPS=1591
bl=3919 pos[1]=[27.5 6.9 -41.5] dr=1.97 t=40190.0ps kin=1.47 pot=21.48 Rg=34.833 SPS=1593
bl=3920 pos[1]=[26.7 9.9 -42.5] dr=1.98 t=40200.0ps kin=1.50 pot=21.49 Rg=34.782 SPS=1618
bl=3921 pos[1]=[28.5 13.4 -43.0] dr=1.92 t=40210.0ps kin=1.48 pot=21.50 Rg=34.721 SPS=1529
bl=3922 pos[1]=[28.9 13.5 -42.8] dr=1.90 t=40220.0ps kin=1.47 pot=21.53 Rg=34.675 SPS=1641
bl=3923 pos[1]=[29.0 13.6 -40.8] dr=1.89 t=40230.0ps kin=1.46 pot=21.50 Rg=34.523 SPS=1622
bl=3924 pos[1]=[30.9 14.5 -37.0] dr=1.89 t=40240.0ps kin=1.52 pot=21.48 Rg=34.471 SPS=1613
bl=3925 pos[1]=[30.5 15.4 -35.4] dr=1.87 t=40250.0ps kin=1.56 pot=21.51 Rg=34.376 SPS=1618
bl=3926 pos[1]=[30.8 14.3 -35.8] dr=1.84 t=40260.0ps kin=1.53 pot=21.54 Rg=34.355 SPS=1606
bl=3927 pos[1]=[31.3 12.9 -38.8] dr=1.89 t=40270.0ps kin=1.51 pot=21.52 Rg=34.392 SPS=1619
bl=3928 pos[1]=[33.5 12.9 -38.0] dr=1.97 t=40280.0ps kin=1.54 pot=21.55 Rg=34.406 SPS=1650
bl=3929 pos[1]=[34.2 11.6 -38.4] dr=1.85 t=40290.0ps kin=1.51 pot=21.52 Rg=34.387 SPS=1610
bl=3930 pos[1]=[33.9 14.2 -40.6] dr=1.84 t=40300.0ps kin=1.50 pot=21.53 Rg=34.353 SPS=1649
bl=3931 pos[1]=[32.1 12.5 -42.1] dr=1.91 t=40310.0ps kin=1.50 pot=21.52 Rg=34.350 SPS=1634
bl=3932 pos[1]=[34.2 14.7 -42.5] dr=1.94 t=40320.0ps kin=1.51 pot=21.53 Rg=34.218 SPS=1609
bl=3933 pos[1]=[35.0 13.6 -42.5] dr=1.93 t=40330.0ps kin=1.50 pot=21.53 Rg=34.103 SPS=1622
bl=3934 pos[1]=[35.4 12.8 -41.3] dr=1.89 t=40340.0ps kin=1.44 pot=21.48 Rg=34.058 SPS=1638
bl=3935 pos[1]=[35.9 15.6 -42.1] dr=2.02 t=40350.0ps kin=1.45 pot=21.52 Rg=34.032 SPS=1601
bl=3936 pos[1]=[35.0 13.9 -42.0] dr=1.94 t=40360.0ps kin=1.48 pot=21.53 Rg=33.963 SPS=1598
bl=3937 pos[1]=[34.9 13.9 -41.3] dr=1.86 t=40370.0ps kin=1.49 pot=21.52 Rg=33.948 SPS=1600
bl=3938 pos[1]=[30.6 14.2 -40.8] dr=1.85 t=40380.0ps kin=1.51 pot=21.51 Rg=33.876 SPS=1594
bl=3939 pos[1]=[28.6 10.8 -39.6] dr=1.94 t=40390.0ps kin=1.55 pot=21.55 Rg=33.758 SPS=1629
bl=3940 pos[1]=[28.7 7.6 -41.6] dr=1.94 t=40400.0ps kin=1.54 pot=21.57 Rg=33.658 SPS=1614
bl=3941 pos[1]=[28.3 8.7 -42.7] dr=1.94 t=40410.0ps kin=1.48 pot=21.50 Rg=33.515 SPS=1581
bl=3942 pos[1]=[26.7 10.3 -43.0] dr=1.88 t=40420.0ps kin=1.56 pot=21.47 Rg=33.446 SPS=1601
bl=3943 pos[1]=[26.6 11.6 -42.4] dr=1.96 t=40430.0ps kin=1.52 pot=21.52 Rg=33.458 SPS=1613
bl=3944 pos[1]=[28.4 13.4 -41.3] dr=1.93 t=40440.0ps kin=1.52 pot=21.50 Rg=33.497 SPS=1542
bl=3945 pos[1]=[29.5 12.6 -40.0] dr=1.98 t=40450.0ps kin=1.57 pot=21.48 Rg=33.487 SPS=1631
bl=3946 pos[1]=[30.4 13.3 -38.4] dr=2.00 t=40460.0ps kin=1.52 pot=21.50 Rg=33.436 SPS=1599
bl=3947 pos[1]=[29.6 13.9 -37.3] dr=2.02 t=40470.0ps kin=1.49 pot=21.53 Rg=33.466 SPS=1599
bl=3948 pos[1]=[28.3 11.1 -37.9] dr=1.99 t=40480.0ps kin=1.43 pot=21.54 Rg=33.483 SPS=1659
bl=3949 pos[1]=[28.2 12.0 -38.2] dr=1.94 t=40490.0ps kin=1.50 pot=21.50 Rg=33.485 SPS=1625
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.49078655 3.03359073 -8.99095532] Rg = 33.48487
median bond size is 0.9687031966188555
three shortest/longest (<10)/ bonds are [0.8704454 0.88351036 0.88435876] [1.07195017 1.07206976 1.0908742 ]
95 percentile of distance to center is: 46.05070602617326
density of closest 95% monomers is: 0.0031490953208320673
density of the core monomers is: 0.004429159379795964
min/median/mean/max coordinates are:
x: -31.05, 18.52, 10.49, 52.84
y: -29.11, 0.46, 3.03, 40.22
z: -46.88, -6.53, -8.99, 16.90
Statistics for velocities:
mean kinetic energy is: 1.5047601220001325 should be: 1.5
fastest particles are (in kT): [ 6.63840908 7.086352 7.77371736 7.96144733 10.89692909]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.50326529083702
bl=3950 pos[1]=[26.2 14.5 -37.4] dr=2.03 t=40500.0ps kin=1.49 pot=21.46 Rg=33.435 SPS=1572
bl=3951 pos[1]=[23.6 15.2 -34.6] dr=1.91 t=40510.0ps kin=1.52 pot=21.44 Rg=33.457 SPS=1589
bl=3952 pos[1]=[24.2 15.7 -34.4] dr=1.90 t=40520.0ps kin=1.47 pot=21.52 Rg=33.454 SPS=1582
bl=3953 pos[1]=[25.3 13.7 -37.1] dr=1.93 t=40530.0ps kin=1.48 pot=21.47 Rg=33.390 SPS=1578
bl=3954 pos[1]=[24.1 12.2 -36.1] dr=1.96 t=40540.0ps kin=1.44 pot=21.47 Rg=33.288 SPS=1594
bl=3955 pos[1]=[22.0 10.5 -36.7] dr=1.90 t=40550.0ps kin=1.49 pot=21.48 Rg=33.222 SPS=1598
bl=3956 pos[1]=[22.5 12.1 -37.2] dr=1.88 t=40560.0ps kin=1.47 pot=21.49 Rg=33.177 SPS=1612
bl=3957 pos[1]=[21.4 14.8 -38.9] dr=1.96 t=40570.0ps kin=1.52 pot=21.50 Rg=33.083 SPS=1612
bl=3958 pos[1]=[21.6 16.2 -39.0] dr=1.92 t=40580.0ps kin=1.53 pot=21.48 Rg=33.026 SPS=1601
bl=3959 pos[1]=[19.5 19.6 -37.0] dr=1.91 t=40590.0ps kin=1.50 pot=21.49 Rg=33.153 SPS=1595
bl=3960 pos[1]=[21.0 20.5 -37.4] dr=1.93 t=40600.0ps kin=1.50 pot=21.51 Rg=33.136 SPS=1608
bl=3961 pos[1]=[21.9 19.2 -37.7] dr=1.86 t=40610.0ps kin=1.49 pot=21.51 Rg=33.028 SPS=1602
bl=3962 pos[1]=[19.2 17.2 -37.7] dr=1.93 t=40620.0ps kin=1.52 pot=21.46 Rg=33.060 SPS=1577
bl=3963 pos[1]=[17.9 18.6 -40.5] dr=1.97 t=40630.0ps kin=1.53 pot=21.53 Rg=33.100 SPS=1590
bl=3964 pos[1]=[18.2 19.2 -39.8] dr=1.84 t=40640.0ps kin=1.47 pot=21.49 Rg=33.137 SPS=1597
bl=3965 pos[1]=[16.7 19.9 -37.9] dr=1.85 t=40650.0ps kin=1.53 pot=21.51 Rg=33.094 SPS=1608
bl=3966 pos[1]=[17.2 19.8 -34.6] dr=1.88 t=40660.0ps kin=1.49 pot=21.51 Rg=33.080 SPS=1521
bl=3967 pos[1]=[19.1 17.4 -34.0] dr=1.87 t=40670.0ps kin=1.51 pot=21.48 Rg=33.149 SPS=1581
bl=3968 pos[1]=[18.6 16.0 -34.5] dr=1.91 t=40680.0ps kin=1.53 pot=21.52 Rg=33.107 SPS=1597
bl=3969 pos[1]=[19.2 15.9 -34.8] dr=1.94 t=40690.0ps kin=1.47 pot=21.53 Rg=33.008 SPS=1592
bl=3970 pos[1]=[19.2 13.7 -35.2] dr=1.88 t=40700.0ps kin=1.52 pot=21.54 Rg=32.951 SPS=1571
bl=3971 pos[1]=[18.7 13.3 -35.4] dr=1.92 t=40710.0ps kin=1.51 pot=21.50 Rg=32.901 SPS=1582
bl=3972 pos[1]=[20.1 14.3 -37.3] dr=1.93 t=40720.0ps kin=1.49 pot=21.53 Rg=32.863 SPS=1594
bl=3973 pos[1]=[22.9 14.6 -40.2] dr=1.90 t=40730.0ps kin=1.47 pot=21.53 Rg=32.939 SPS=1581
bl=3974 pos[1]=[25.7 11.5 -40.6] dr=1.92 t=40740.0ps kin=1.45 pot=21.50 Rg=33.051 SPS=1604
bl=3975 pos[1]=[24.4 12.8 -43.6] dr=1.99 t=40750.0ps kin=1.50 pot=21.48 Rg=33.185 SPS=1597
bl=3976 pos[1]=[25.1 13.1 -45.1] dr=1.99 t=40760.0ps kin=1.54 pot=21.50 Rg=33.169 SPS=1616
bl=3977 pos[1]=[24.5 11.7 -46.6] dr=1.93 t=40770.0ps kin=1.51 pot=21.54 Rg=33.172 SPS=1631
bl=3978 pos[1]=[24.4 9.3 -48.1] dr=1.92 t=40780.0ps kin=1.45 pot=21.53 Rg=33.301 SPS=1577
bl=3979 pos[1]=[23.4 9.4 -46.4] dr=1.87 t=40790.0ps kin=1.54 pot=21.54 Rg=33.352 SPS=1609
bl=3980 pos[1]=[24.5 9.6 -49.0] dr=1.89 t=40800.0ps kin=1.50 pot=21.51 Rg=33.370 SPS=1598
bl=3981 pos[1]=[23.2 11.1 -48.3] dr=1.89 t=40810.0ps kin=1.48 pot=21.49 Rg=33.361 SPS=1655
bl=3982 pos[1]=[20.2 10.1 -48.1] dr=1.88 t=40820.0ps kin=1.48 pot=21.53 Rg=33.328 SPS=1649
bl=3983 pos[1]=[18.5 8.1 -44.8] dr=1.90 t=40830.0ps kin=1.50 pot=21.55 Rg=33.250 SPS=1617
bl=3984 pos[1]=[18.5 10.0 -43.7] dr=1.88 t=40840.0ps kin=1.49 pot=21.54 Rg=33.254 SPS=1617
bl=3985 pos[1]=[18.8 9.7 -44.5] dr=1.88 t=40850.0ps kin=1.51 pot=21.49 Rg=33.337 SPS=1598
bl=3986 pos[1]=[19.5 8.2 -45.1] dr=1.89 t=40860.0ps kin=1.52 pot=21.52 Rg=33.327 SPS=1645
bl=3987 pos[1]=[21.7 8.9 -47.8] dr=1.88 t=40870.0ps kin=1.50 pot=21.50 Rg=33.240 SPS=1638
bl=3988 pos[1]=[20.8 10.6 -46.5] dr=1.93 t=40880.0ps kin=1.51 pot=21.50 Rg=33.183 SPS=1606
bl=3989 pos[1]=[20.7 10.3 -44.9] dr=1.89 t=40890.0ps kin=1.49 pot=21.49 Rg=33.100 SPS=1636
bl=3990 pos[1]=[21.7 10.4 -43.1] dr=1.90 t=40900.0ps kin=1.53 pot=21.50 Rg=33.074 SPS=1614
bl=3991 pos[1]=[20.2 9.8 -43.9] dr=1.90 t=40910.0ps kin=1.44 pot=21.49 Rg=33.185 SPS=1553
bl=3992 pos[1]=[16.3 10.5 -43.5] dr=1.88 t=40920.0ps kin=1.45 pot=21.48 Rg=33.346 SPS=1621
bl=3993 pos[1]=[17.2 11.4 -43.7] dr=1.92 t=40930.0ps kin=1.42 pot=21.50 Rg=33.424 SPS=1538
bl=3994 pos[1]=[16.2 10.9 -41.8] dr=1.86 t=40940.0ps kin=1.48 pot=21.50 Rg=33.394 SPS=1636
bl=3995 pos[1]=[18.4 12.3 -43.9] dr=1.98 t=40950.0ps kin=1.51 pot=21.53 Rg=33.533 SPS=1649
bl=3996 pos[1]=[19.9 12.1 -42.4] dr=1.91 t=40960.0ps kin=1.53 pot=21.52 Rg=33.676 SPS=1608
bl=3997 pos[1]=[19.4 10.6 -41.4] dr=1.92 t=40970.0ps kin=1.51 pot=21.50 Rg=33.757 SPS=1613
bl=3998 pos[1]=[18.0 11.7 -39.5] dr=1.94 t=40980.0ps kin=1.49 pot=21.48 Rg=33.845 SPS=1606
bl=3999 pos[1]=[18.1 17.4 -39.9] dr=1.91 t=40990.0ps kin=1.51 pot=21.49 Rg=33.844 SPS=1609
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.95058803 3.91418547 -8.36814763] Rg = 33.8441
median bond size is 0.9699418861743446
three shortest/longest (<10)/ bonds are [0.88284842 0.8854754 0.89462977] [1.08940012 1.09154582 1.09933869]
95 percentile of distance to center is: 48.03760792321019
density of closest 95% monomers is: 0.002774281756452317
density of the core monomers is: 0.00428859172300696
min/median/mean/max coordinates are:
x: -40.58, 14.84, 10.95, 58.85
y: -35.26, 4.70, 3.91, 40.62
z: -49.64, -4.99, -8.37, 16.38
Statistics for velocities:
mean kinetic energy is: 1.51412869466528 should be: 1.5
fastest particles are (in kT): [7.37821855 7.77565401 8.63891167 8.65557047 8.68140626]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.491592632282448
bl=4000 pos[1]=[15.4 15.7 -38.9] dr=1.93 t=41000.0ps kin=1.54 pot=21.49 Rg=33.871 SPS=1585
bl=4001 pos[1]=[14.9 14.7 -41.8] dr=1.95 t=41010.0ps kin=1.48 pot=21.48 Rg=33.855 SPS=1585
bl=4002 pos[1]=[14.4 14.7 -44.3] dr=1.99 t=41020.0ps kin=1.51 pot=21.51 Rg=33.889 SPS=1598
bl=4003 pos[1]=[15.2 15.0 -42.6] dr=1.96 t=41030.0ps kin=1.49 pot=21.49 Rg=33.915 SPS=1608
bl=4004 pos[1]=[17.5 13.7 -42.3] dr=1.98 t=41040.0ps kin=1.51 pot=21.54 Rg=33.933 SPS=1588
bl=4005 pos[1]=[19.9 14.9 -45.4] dr=1.91 t=41050.0ps kin=1.52 pot=21.53 Rg=33.900 SPS=1580
bl=4006 pos[1]=[17.7 16.5 -46.6] dr=1.96 t=41060.0ps kin=1.52 pot=21.50 Rg=33.871 SPS=1594
bl=4007 pos[1]=[17.1 15.7 -44.5] dr=2.02 t=41070.0ps kin=1.54 pot=21.48 Rg=33.697 SPS=1564
bl=4008 pos[1]=[19.0 15.8 -45.5] dr=2.00 t=41080.0ps kin=1.50 pot=21.51 Rg=33.572 SPS=1599
bl=4009 pos[1]=[22.6 17.7 -44.9] dr=1.94 t=41090.0ps kin=1.54 pot=21.52 Rg=33.552 SPS=1581
bl=4010 pos[1]=[21.7 20.4 -45.0] dr=1.97 t=41100.0ps kin=1.49 pot=21.48 Rg=33.541 SPS=1614
bl=4011 pos[1]=[20.9 20.8 -45.4] dr=1.96 t=41110.0ps kin=1.52 pot=21.51 Rg=33.407 SPS=1581
bl=4012 pos[1]=[19.9 18.9 -47.9] dr=1.97 t=41120.0ps kin=1.49 pot=21.55 Rg=33.233 SPS=1608
bl=4013 pos[1]=[18.3 17.3 -49.2] dr=1.94 t=41130.0ps kin=1.46 pot=21.59 Rg=33.176 SPS=1620
bl=4014 pos[1]=[18.8 18.1 -50.8] dr=1.89 t=41140.0ps kin=1.51 pot=21.45 Rg=33.188 SPS=1591
bl=4015 pos[1]=[16.8 19.6 -47.8] dr=1.91 t=41150.0ps kin=1.50 pot=21.47 Rg=33.159 SPS=1607
bl=4016 pos[1]=[17.0 21.4 -50.3] dr=1.97 t=41160.0ps kin=1.53 pot=21.49 Rg=33.226 SPS=1599
bl=4017 pos[1]=[14.6 21.2 -48.9] dr=1.93 t=41170.0ps kin=1.45 pot=21.50 Rg=33.217 SPS=1667
bl=4018 pos[1]=[15.6 24.2 -51.0] dr=1.89 t=41180.0ps kin=1.54 pot=21.52 Rg=33.112 SPS=1670
bl=4019 pos[1]=[16.6 21.7 -50.1] dr=1.88 t=41190.0ps kin=1.53 pot=21.53 Rg=33.117 SPS=1609
bl=4020 pos[1]=[16.0 21.3 -47.4] dr=1.89 t=41200.0ps kin=1.50 pot=21.51 Rg=33.163 SPS=1589
bl=4021 pos[1]=[17.0 23.8 -44.9] dr=1.93 t=41210.0ps kin=1.48 pot=21.51 Rg=33.178 SPS=1604
bl=4022 pos[1]=[16.0 26.6 -47.0] dr=1.89 t=41220.0ps kin=1.51 pot=21.51 Rg=33.175 SPS=1586
bl=4023 pos[1]=[18.3 26.4 -46.5] dr=1.90 t=41230.0ps kin=1.50 pot=21.52 Rg=33.230 SPS=1544
bl=4024 pos[1]=[19.2 24.1 -46.8] dr=1.92 t=41240.0ps kin=1.52 pot=21.52 Rg=33.120 SPS=1608
bl=4025 pos[1]=[20.3 23.6 -46.1] dr=1.89 t=41250.0ps kin=1.46 pot=21.51 Rg=33.054 SPS=1642
bl=4026 pos[1]=[20.2 24.3 -45.4] dr=1.89 t=41260.0ps kin=1.52 pot=21.49 Rg=33.027 SPS=1616
bl=4027 pos[1]=[15.6 26.5 -43.7] dr=1.92 t=41270.0ps kin=1.56 pot=21.48 Rg=32.943 SPS=1597
bl=4028 pos[1]=[14.6 24.9 -44.1] dr=1.97 t=41280.0ps kin=1.48 pot=21.55 Rg=32.869 SPS=1601
bl=4029 pos[1]=[11.4 25.7 -43.8] dr=1.85 t=41290.0ps kin=1.46 pot=21.52 Rg=32.742 SPS=1589
bl=4030 pos[1]=[15.9 26.8 -45.2] dr=1.87 t=41300.0ps kin=1.46 pot=21.51 Rg=32.646 SPS=1597
bl=4031 pos[1]=[14.2 25.3 -47.3] dr=1.88 t=41310.0ps kin=1.49 pot=21.51 Rg=32.631 SPS=1604
bl=4032 pos[1]=[14.4 25.0 -46.1] dr=1.91 t=41320.0ps kin=1.51 pot=21.46 Rg=32.527 SPS=1599
bl=4033 pos[1]=[13.7 23.3 -46.5] dr=1.94 t=41330.0ps kin=1.48 pot=21.46 Rg=32.444 SPS=1613
bl=4034 pos[1]=[12.7 23.2 -46.7] dr=1.88 t=41340.0ps kin=1.46 pot=21.51 Rg=32.509 SPS=1595
bl=4035 pos[1]=[15.3 21.7 -48.7] dr=1.94 t=41350.0ps kin=1.50 pot=21.54 Rg=32.547 SPS=1572
bl=4036 pos[1]=[19.4 21.2 -49.2] dr=1.90 t=41360.0ps kin=1.46 pot=21.48 Rg=32.572 SPS=1577
bl=4037 pos[1]=[19.4 20.0 -48.3] dr=1.90 t=41370.0ps kin=1.51 pot=21.49 Rg=32.586 SPS=1637
bl=4038 pos[1]=[18.1 21.1 -47.9] dr=1.98 t=41380.0ps kin=1.53 pot=21.49 Rg=32.502 SPS=1613
bl=4039 pos[1]=[18.2 20.1 -50.1] dr=1.96 t=41390.0ps kin=1.47 pot=21.50 Rg=32.501 SPS=1626
bl=4040 pos[1]=[17.7 18.8 -48.6] dr=1.99 t=41400.0ps kin=1.49 pot=21.54 Rg=32.485 SPS=1631
bl=4041 pos[1]=[17.8 18.4 -49.1] dr=1.96 t=41410.0ps kin=1.50 pot=21.49 Rg=32.499 SPS=1675
bl=4042 pos[1]=[15.0 18.9 -50.3] dr=1.92 t=41420.0ps kin=1.48 pot=21.52 Rg=32.447 SPS=1650
bl=4043 pos[1]=[15.4 18.6 -51.0] dr=1.91 t=41430.0ps kin=1.46 pot=21.50 Rg=32.352 SPS=1613
bl=4044 pos[1]=[16.6 19.6 -50.9] dr=1.90 t=41440.0ps kin=1.47 pot=21.49 Rg=32.177 SPS=1591
bl=4045 pos[1]=[16.3 20.3 -51.9] dr=1.92 t=41450.0ps kin=1.47 pot=21.51 Rg=32.110 SPS=1576
bl=4046 pos[1]=[16.4 21.9 -50.7] dr=1.89 t=41460.0ps kin=1.45 pot=21.52 Rg=32.064 SPS=1556
bl=4047 pos[1]=[15.9 23.8 -50.3] dr=1.86 t=41470.0ps kin=1.54 pot=21.54 Rg=32.021 SPS=1351
bl=4048 pos[1]=[17.3 23.3 -52.6] dr=1.94 t=41480.0ps kin=1.51 pot=21.52 Rg=31.945 SPS=1699
bl=4049 pos[1]=[16.1 23.8 -51.9] dr=1.94 t=41490.0ps kin=1.50 pot=21.57 Rg=31.837 SPS=1654
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.78616208 3.79301152 -8.35821667] Rg = 31.836666
median bond size is 0.969445812201577
three shortest/longest (<10)/ bonds are [0.87549667 0.87581144 0.88743175] [1.07971602 1.09085313 1.09877174]
95 percentile of distance to center is: 45.2791504877856
density of closest 95% monomers is: 0.003312835527731704
density of the core monomers is: 0.008960517904349286
min/median/mean/max coordinates are:
x: -37.29, 15.28, 10.79, 55.56
y: -32.42, 2.42, 3.79, 38.30
z: -52.03, -5.93, -8.36, 18.49
Statistics for velocities:
mean kinetic energy is: 1.5017704111809578 should be: 1.5
fastest particles are (in kT): [6.72295608 7.06952494 7.23023121 7.57215221 8.44102451]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.565588126843657
bl=4050 pos[1]=[16.7 21.5 -53.0] dr=1.95 t=41500.0ps kin=1.51 pot=21.51 Rg=31.698 SPS=1601
bl=4051 pos[1]=[15.4 21.0 -51.8] dr=1.95 t=41510.0ps kin=1.44 pot=21.50 Rg=31.670 SPS=1644
bl=4052 pos[1]=[18.0 20.8 -50.8] dr=1.89 t=41520.0ps kin=1.45 pot=21.49 Rg=31.743 SPS=1664
bl=4053 pos[1]=[16.2 20.5 -49.6] dr=1.95 t=41530.0ps kin=1.44 pot=21.50 Rg=31.745 SPS=1685
bl=4054 pos[1]=[17.4 19.1 -48.8] dr=2.01 t=41540.0ps kin=1.46 pot=21.50 Rg=31.721 SPS=1648
bl=4055 pos[1]=[18.2 18.7 -48.6] dr=1.98 t=41550.0ps kin=1.48 pot=21.50 Rg=31.606 SPS=1601
bl=4056 pos[1]=[19.7 19.4 -44.9] dr=1.96 t=41560.0ps kin=1.49 pot=21.48 Rg=31.603 SPS=1634
bl=4057 pos[1]=[20.4 20.8 -47.0] dr=1.92 t=41570.0ps kin=1.48 pot=21.51 Rg=31.704 SPS=1643
bl=4058 pos[1]=[18.1 20.1 -46.1] dr=1.92 t=41580.0ps kin=1.48 pot=21.56 Rg=31.681 SPS=1602
bl=4059 pos[1]=[15.1 20.6 -48.3] dr=2.03 t=41590.0ps kin=1.53 pot=21.52 Rg=31.652 SPS=1642
bl=4060 pos[1]=[15.8 21.6 -47.9] dr=2.07 t=41600.0ps kin=1.50 pot=21.51 Rg=31.611 SPS=1616
bl=4061 pos[1]=[13.1 25.5 -43.8] dr=1.96 t=41610.0ps kin=1.50 pot=21.55 Rg=31.481 SPS=1618
bl=4062 pos[1]=[12.0 25.5 -42.3] dr=2.03 t=41620.0ps kin=1.53 pot=21.49 Rg=31.496 SPS=1609
bl=4063 pos[1]=[13.6 27.0 -39.7] dr=1.99 t=41630.0ps kin=1.44 pot=21.54 Rg=31.535 SPS=1586
bl=4064 pos[1]=[17.6 27.4 -39.0] dr=1.91 t=41640.0ps kin=1.49 pot=21.47 Rg=31.505 SPS=1543
bl=4065 pos[1]=[18.7 28.2 -38.2] dr=1.99 t=41650.0ps kin=1.45 pot=21.54 Rg=31.496 SPS=1619
bl=4066 pos[1]=[17.8 26.5 -38.0] dr=1.86 t=41660.0ps kin=1.47 pot=21.50 Rg=31.508 SPS=1614
bl=4067 pos[1]=[15.7 25.3 -40.5] dr=1.95 t=41670.0ps kin=1.45 pot=21.47 Rg=31.392 SPS=1633
bl=4068 pos[1]=[15.6 25.3 -40.4] dr=1.90 t=41680.0ps kin=1.45 pot=21.48 Rg=31.406 SPS=1624
bl=4069 pos[1]=[15.7 26.7 -38.3] dr=1.93 t=41690.0ps kin=1.50 pot=21.48 Rg=31.473 SPS=1599
bl=4070 pos[1]=[14.5 25.7 -40.3] dr=1.92 t=41700.0ps kin=1.53 pot=21.48 Rg=31.593 SPS=1655
bl=4071 pos[1]=[11.5 25.2 -43.1] dr=1.93 t=41710.0ps kin=1.53 pot=21.48 Rg=31.699 SPS=1620
bl=4072 pos[1]=[13.6 26.3 -44.5] dr=1.91 t=41720.0ps kin=1.50 pot=21.52 Rg=31.712 SPS=1616
bl=4073 pos[1]=[16.1 27.3 -46.0] dr=1.81 t=41730.0ps kin=1.45 pot=21.52 Rg=31.741 SPS=1610
bl=4074 pos[1]=[13.3 29.2 -46.4] dr=1.86 t=41740.0ps kin=1.47 pot=21.50 Rg=31.773 SPS=1565
bl=4075 pos[1]=[12.7 29.3 -44.6] dr=1.79 t=41750.0ps kin=1.46 pot=21.55 Rg=31.829 SPS=1578
bl=4076 pos[1]=[12.5 29.7 -44.9] dr=1.88 t=41760.0ps kin=1.50 pot=21.53 Rg=31.952 SPS=1609
bl=4077 pos[1]=[14.9 29.0 -45.8] dr=2.00 t=41770.0ps kin=1.50 pot=21.47 Rg=32.017 SPS=1579
bl=4078 pos[1]=[12.9 29.5 -44.5] dr=1.97 t=41780.0ps kin=1.50 pot=21.48 Rg=32.115 SPS=1620
bl=4079 pos[1]=[13.1 29.4 -43.5] dr=1.91 t=41790.0ps kin=1.47 pot=21.53 Rg=32.170 SPS=1580
bl=4080 pos[1]=[10.5 32.9 -40.2] dr=1.95 t=41800.0ps kin=1.48 pot=21.50 Rg=32.196 SPS=1593
bl=4081 pos[1]=[11.6 33.4 -42.1] dr=1.92 t=41810.0ps kin=1.46 pot=21.54 Rg=32.197 SPS=1595
bl=4082 pos[1]=[12.9 32.0 -44.4] dr=1.97 t=41820.0ps kin=1.50 pot=21.53 Rg=32.113 SPS=1592
bl=4083 pos[1]=[11.8 30.0 -47.0] dr=1.89 t=41830.0ps kin=1.50 pot=21.53 Rg=32.059 SPS=1581
bl=4084 pos[1]=[12.4 29.0 -47.9] dr=1.93 t=41840.0ps kin=1.49 pot=21.53 Rg=31.994 SPS=1603
bl=4085 pos[1]=[10.1 28.5 -48.8] dr=1.94 t=41850.0ps kin=1.47 pot=21.54 Rg=31.963 SPS=1616
bl=4086 pos[1]=[10.3 27.3 -51.3] dr=1.96 t=41860.0ps kin=1.48 pot=21.50 Rg=31.872 SPS=1580
bl=4087 pos[1]=[8.0 25.6 -52.2] dr=1.88 t=41870.0ps kin=1.49 pot=21.49 Rg=31.754 SPS=1651
bl=4088 pos[1]=[8.0 24.8 -51.2] dr=1.93 t=41880.0ps kin=1.56 pot=21.52 Rg=31.651 SPS=1693
bl=4089 pos[1]=[9.3 22.5 -51.8] dr=2.00 t=41890.0ps kin=1.51 pot=21.58 Rg=31.574 SPS=1629
bl=4090 pos[1]=[10.5 22.8 -49.6] dr=1.95 t=41900.0ps kin=1.50 pot=21.53 Rg=31.579 SPS=1486
bl=4091 pos[1]=[9.7 24.5 -51.5] dr=1.96 t=41910.0ps kin=1.49 pot=21.55 Rg=31.579 SPS=1566
bl=4092 pos[1]=[7.7 25.5 -53.9] dr=1.94 t=41920.0ps kin=1.53 pot=21.52 Rg=31.587 SPS=1647
bl=4093 pos[1]=[9.1 26.2 -55.6] dr=1.95 t=41930.0ps kin=1.44 pot=21.48 Rg=31.557 SPS=1603
bl=4094 pos[1]=[7.9 27.2 -52.6] dr=2.00 t=41940.0ps kin=1.51 pot=21.49 Rg=31.484 SPS=1570
bl=4095 pos[1]=[7.9 27.6 -52.1] dr=1.91 t=41950.0ps kin=1.46 pot=21.51 Rg=31.521 SPS=1609
bl=4096 pos[1]=[9.9 25.4 -50.3] dr=1.98 t=41960.0ps kin=1.48 pot=21.47 Rg=31.573 SPS=1583
bl=4097 pos[1]=[11.5 24.3 -49.7] dr=1.95 t=41970.0ps kin=1.44 pot=21.49 Rg=31.612 SPS=1608
bl=4098 pos[1]=[11.4 22.1 -51.7] dr=1.91 t=41980.0ps kin=1.46 pot=21.49 Rg=31.610 SPS=1602
bl=4099 pos[1]=[14.3 20.6 -53.9] dr=1.88 t=41990.0ps kin=1.52 pot=21.53 Rg=31.591 SPS=1612
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.30719711 3.94593211 -9.49908695] Rg = 31.59111
median bond size is 0.9679288815218622
three shortest/longest (<10)/ bonds are [0.89216765 0.894009 0.89425045] [1.08680239 1.10085542 1.10443318]
95 percentile of distance to center is: 45.033225429326414
density of closest 95% monomers is: 0.003367406333891658
density of the core monomers is: 0.006516878232914175
min/median/mean/max coordinates are:
x: -28.65, 15.52, 11.31, 53.81
y: -36.22, 0.68, 3.95, 37.45
z: -55.10, -7.11, -9.50, 25.52
Statistics for velocities:
mean kinetic energy is: 1.5208969577795204 should be: 1.5
fastest particles are (in kT): [7.24766819 7.65859659 7.83280608 8.37422305 8.4035989 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.532243846792035
bl=4100 pos[1]=[13.9 20.0 -55.4] dr=1.87 t=42000.0ps kin=1.53 pot=21.50 Rg=31.597 SPS=1616
bl=4101 pos[1]=[15.5 21.7 -54.5] dr=1.96 t=42010.0ps kin=1.48 pot=21.50 Rg=31.597 SPS=1597
bl=4102 pos[1]=[16.4 22.3 -52.6] dr=1.91 t=42020.0ps kin=1.47 pot=21.46 Rg=31.632 SPS=1611
bl=4103 pos[1]=[14.6 21.0 -50.8] dr=1.97 t=42030.0ps kin=1.48 pot=21.51 Rg=31.665 SPS=1597
bl=4104 pos[1]=[16.0 19.9 -48.5] dr=1.96 t=42040.0ps kin=1.47 pot=21.52 Rg=31.693 SPS=1619
bl=4105 pos[1]=[16.7 18.3 -48.5] dr=1.94 t=42050.0ps kin=1.52 pot=21.53 Rg=31.713 SPS=1617
bl=4106 pos[1]=[18.9 16.3 -51.7] dr=1.94 t=42060.0ps kin=1.48 pot=21.50 Rg=31.583 SPS=1619
bl=4107 pos[1]=[21.3 15.6 -49.9] dr=1.92 t=42070.0ps kin=1.52 pot=21.47 Rg=31.470 SPS=1598
bl=4108 pos[1]=[17.7 13.7 -50.1] dr=1.93 t=42080.0ps kin=1.53 pot=21.48 Rg=31.389 SPS=1616
bl=4109 pos[1]=[17.9 14.3 -51.7] dr=1.96 t=42090.0ps kin=1.48 pot=21.53 Rg=31.350 SPS=1620
bl=4110 pos[1]=[20.6 17.0 -50.4] dr=1.93 t=42100.0ps kin=1.47 pot=21.50 Rg=31.260 SPS=1615
bl=4111 pos[1]=[21.8 19.8 -47.7] dr=1.89 t=42110.0ps kin=1.58 pot=21.52 Rg=31.131 SPS=1616
bl=4112 pos[1]=[21.9 20.3 -46.4] dr=1.95 t=42120.0ps kin=1.49 pot=21.52 Rg=31.052 SPS=1625
bl=4113 pos[1]=[20.4 22.4 -44.4] dr=1.98 t=42130.0ps kin=1.51 pot=21.52 Rg=31.061 SPS=1667
bl=4114 pos[1]=[22.3 21.5 -44.9] dr=1.98 t=42140.0ps kin=1.48 pot=21.55 Rg=31.075 SPS=1595
bl=4115 pos[1]=[21.1 21.7 -49.7] dr=1.94 t=42150.0ps kin=1.46 pot=21.49 Rg=31.140 SPS=1576
bl=4116 pos[1]=[20.0 24.4 -51.3] dr=1.85 t=42160.0ps kin=1.48 pot=21.45 Rg=31.192 SPS=1648
bl=4117 pos[1]=[21.5 23.8 -49.1] dr=1.91 t=42170.0ps kin=1.53 pot=21.52 Rg=31.123 SPS=1491
bl=4118 pos[1]=[21.1 22.9 -46.3] dr=1.89 t=42180.0ps kin=1.51 pot=21.53 Rg=31.085 SPS=1608
bl=4119 pos[1]=[19.9 24.7 -44.7] dr=1.92 t=42190.0ps kin=1.54 pot=21.52 Rg=31.107 SPS=1651
bl=4120 pos[1]=[21.6 24.4 -46.6] dr=2.03 t=42200.0ps kin=1.45 pot=21.48 Rg=31.116 SPS=1660
bl=4121 pos[1]=[24.1 20.3 -49.6] dr=1.89 t=42210.0ps kin=1.48 pot=21.56 Rg=31.105 SPS=1635
bl=4122 pos[1]=[25.0 20.4 -48.1] dr=1.94 t=42220.0ps kin=1.55 pot=21.54 Rg=31.186 SPS=1613
bl=4123 pos[1]=[21.5 22.2 -48.2] dr=1.99 t=42230.0ps kin=1.51 pot=21.53 Rg=31.179 SPS=1603
bl=4124 pos[1]=[20.4 22.8 -47.0] dr=1.95 t=42240.0ps kin=1.48 pot=21.50 Rg=31.156 SPS=1608
bl=4125 pos[1]=[21.3 25.1 -44.5] dr=1.97 t=42250.0ps kin=1.51 pot=21.49 Rg=31.175 SPS=1625
bl=4126 pos[1]=[21.4 26.7 -42.8] dr=1.90 t=42260.0ps kin=1.49 pot=21.45 Rg=31.062 SPS=1640
bl=4127 pos[1]=[19.4 24.4 -43.2] dr=1.94 t=42270.0ps kin=1.49 pot=21.44 Rg=31.000 SPS=1632
bl=4128 pos[1]=[21.7 22.8 -40.2] dr=1.89 t=42280.0ps kin=1.51 pot=21.47 Rg=30.867 SPS=1675
bl=4129 pos[1]=[22.0 23.3 -42.1] dr=1.93 t=42290.0ps kin=1.47 pot=21.54 Rg=30.765 SPS=1624
bl=4130 pos[1]=[23.4 25.0 -43.7] dr=1.92 t=42300.0ps kin=1.49 pot=21.50 Rg=30.789 SPS=1600
bl=4131 pos[1]=[21.6 24.2 -45.6] dr=1.94 t=42310.0ps kin=1.50 pot=21.49 Rg=30.738 SPS=1654
bl=4132 pos[1]=[20.4 25.3 -44.7] dr=1.93 t=42320.0ps kin=1.53 pot=21.50 Rg=30.836 SPS=1626
bl=4133 pos[1]=[19.2 22.4 -43.1] dr=1.94 t=42330.0ps kin=1.45 pot=21.47 Rg=30.855 SPS=1667
bl=4134 pos[1]=[20.8 24.9 -45.0] dr=1.93 t=42340.0ps kin=1.51 pot=21.50 Rg=30.815 SPS=1672
bl=4135 pos[1]=[22.9 22.5 -44.8] dr=1.87 t=42350.0ps kin=1.50 pot=21.49 Rg=30.796 SPS=1710
bl=4136 pos[1]=[21.7 23.3 -43.4] dr=1.90 t=42360.0ps kin=1.53 pot=21.54 Rg=30.834 SPS=1673
bl=4137 pos[1]=[20.7 22.9 -42.7] dr=1.90 t=42370.0ps kin=1.47 pot=21.50 Rg=30.801 SPS=1611
bl=4138 pos[1]=[20.2 21.7 -40.8] dr=1.94 t=42380.0ps kin=1.49 pot=21.51 Rg=30.734 SPS=1606
bl=4139 pos[1]=[21.9 20.5 -42.7] dr=1.94 t=42390.0ps kin=1.46 pot=21.56 Rg=30.765 SPS=1504
bl=4140 pos[1]=[21.5 19.5 -41.3] dr=1.96 t=42400.0ps kin=1.57 pot=21.48 Rg=30.845 SPS=1624
bl=4141 pos[1]=[20.0 18.2 -41.8] dr=1.91 t=42410.0ps kin=1.48 pot=21.54 Rg=30.802 SPS=1586
bl=4142 pos[1]=[23.2 17.1 -37.4] dr=1.91 t=42420.0ps kin=1.47 pot=21.55 Rg=30.641 SPS=1617
bl=4143 pos[1]=[24.0 19.6 -35.8] dr=1.88 t=42430.0ps kin=1.46 pot=21.54 Rg=30.601 SPS=1590
bl=4144 pos[1]=[24.0 21.5 -34.6] dr=1.91 t=42440.0ps kin=1.48 pot=21.49 Rg=30.565 SPS=1597
bl=4145 pos[1]=[23.7 19.4 -35.7] dr=1.88 t=42450.0ps kin=1.49 pot=21.52 Rg=30.461 SPS=1620
bl=4146 pos[1]=[21.2 20.9 -39.9] dr=1.98 t=42460.0ps kin=1.52 pot=21.50 Rg=30.377 SPS=1602
bl=4147 pos[1]=[17.9 19.8 -39.7] dr=1.99 t=42470.0ps kin=1.55 pot=21.49 Rg=30.472 SPS=1612
bl=4148 pos[1]=[16.5 18.6 -39.5] dr=2.02 t=42480.0ps kin=1.53 pot=21.50 Rg=30.433 SPS=1627
bl=4149 pos[1]=[16.7 19.3 -39.8] dr=1.94 t=42490.0ps kin=1.53 pot=21.49 Rg=30.322 SPS=1611
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.99216608 3.84366965 -8.89993034] Rg = 30.32186
median bond size is 0.9664387845257952
three shortest/longest (<10)/ bonds are [0.88997442 0.89199451 0.89654723] [1.09496065 1.11058111 1.12481752]
95 percentile of distance to center is: 41.759763467350325
density of closest 95% monomers is: 0.004222995272163963
density of the core monomers is: 0.00732162803036465
min/median/mean/max coordinates are:
x: -23.81, 13.19, 11.99, 51.81
y: -32.59, 2.89, 3.84, 40.07
z: -41.65, -5.18, -8.90, 20.37
Statistics for velocities:
mean kinetic energy is: 1.5303660050905832 should be: 1.5
fastest particles are (in kT): [6.16673736 6.6283791 7.25071419 7.72021346 8.47829004]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.4888833195059
bl=4150 pos[1]=[13.9 20.4 -38.1] dr=2.01 t=42500.0ps kin=1.52 pot=21.46 Rg=30.400 SPS=1602
bl=4151 pos[1]=[13.4 21.3 -41.3] dr=1.93 t=42510.0ps kin=1.54 pot=21.52 Rg=30.391 SPS=1598
bl=4152 pos[1]=[13.4 20.6 -41.0] dr=1.94 t=42520.0ps kin=1.45 pot=21.54 Rg=30.459 SPS=1634
bl=4153 pos[1]=[14.0 23.1 -38.7] dr=1.95 t=42530.0ps kin=1.44 pot=21.48 Rg=30.534 SPS=1642
bl=4154 pos[1]=[14.2 26.7 -39.9] dr=1.96 t=42540.0ps kin=1.47 pot=21.48 Rg=30.514 SPS=1609
bl=4155 pos[1]=[16.3 24.4 -38.0] dr=1.92 t=42550.0ps kin=1.49 pot=21.56 Rg=30.519 SPS=1609
bl=4156 pos[1]=[14.6 24.2 -37.2] dr=2.02 t=42560.0ps kin=1.52 pot=21.50 Rg=30.504 SPS=1607
bl=4157 pos[1]=[13.7 23.3 -36.1] dr=1.96 t=42570.0ps kin=1.53 pot=21.48 Rg=30.426 SPS=1603
bl=4158 pos[1]=[15.5 23.0 -35.2] dr=2.02 t=42580.0ps kin=1.49 pot=21.48 Rg=30.391 SPS=1610
bl=4159 pos[1]=[15.4 24.6 -36.3] dr=1.95 t=42590.0ps kin=1.46 pot=21.50 Rg=30.373 SPS=1604
bl=4160 pos[1]=[17.5 25.8 -33.7] dr=1.90 t=42600.0ps kin=1.49 pot=21.50 Rg=30.242 SPS=1593
bl=4161 pos[1]=[17.5 26.6 -34.6] dr=1.90 t=42610.0ps kin=1.53 pot=21.53 Rg=30.185 SPS=1633
bl=4162 pos[1]=[21.1 24.3 -34.5] dr=1.86 t=42620.0ps kin=1.57 pot=21.47 Rg=30.225 SPS=1633
bl=4163 pos[1]=[24.0 21.3 -35.5] dr=1.99 t=42630.0ps kin=1.53 pot=21.48 Rg=30.267 SPS=1543
bl=4164 pos[1]=[22.3 22.2 -33.7] dr=1.97 t=42640.0ps kin=1.52 pot=21.53 Rg=30.373 SPS=1652
bl=4165 pos[1]=[23.4 23.2 -35.6] dr=1.91 t=42650.0ps kin=1.51 pot=21.50 Rg=30.431 SPS=1648
bl=4166 pos[1]=[24.8 24.5 -38.8] dr=1.94 t=42660.0ps kin=1.46 pot=21.52 Rg=30.496 SPS=1654
bl=4167 pos[1]=[26.0 23.6 -40.3] dr=1.90 t=42670.0ps kin=1.51 pot=21.51 Rg=30.529 SPS=1627
bl=4168 pos[1]=[26.1 22.0 -37.1] dr=1.90 t=42680.0ps kin=1.48 pot=21.54 Rg=30.491 SPS=1670
bl=4169 pos[1]=[21.4 22.9 -37.1] dr=1.92 t=42690.0ps kin=1.53 pot=21.49 Rg=30.454 SPS=1622
bl=4170 pos[1]=[20.1 24.9 -37.8] dr=1.89 t=42700.0ps kin=1.54 pot=21.47 Rg=30.518 SPS=1638
bl=4171 pos[1]=[17.4 22.8 -40.6] dr=1.95 t=42710.0ps kin=1.53 pot=21.43 Rg=30.558 SPS=1631
bl=4172 pos[1]=[16.4 19.0 -39.6] dr=1.89 t=42720.0ps kin=1.51 pot=21.51 Rg=30.613 SPS=1653
bl=4173 pos[1]=[15.9 22.2 -36.8] dr=1.92 t=42730.0ps kin=1.50 pot=21.50 Rg=30.655 SPS=1589
bl=4174 pos[1]=[16.0 19.9 -35.8] dr=1.97 t=42740.0ps kin=1.55 pot=21.50 Rg=30.680 SPS=1630
bl=4175 pos[1]=[13.2 18.0 -35.6] dr=1.94 t=42750.0ps kin=1.49 pot=21.50 Rg=30.796 SPS=1596
bl=4176 pos[1]=[12.7 18.2 -37.0] dr=1.95 t=42760.0ps kin=1.47 pot=21.49 Rg=30.906 SPS=1639
bl=4177 pos[1]=[11.7 20.5 -38.3] dr=1.93 t=42770.0ps kin=1.50 pot=21.50 Rg=30.889 SPS=1662
bl=4178 pos[1]=[10.8 19.9 -38.2] dr=1.86 t=42780.0ps kin=1.51 pot=21.53 Rg=30.816 SPS=1609
bl=4179 pos[1]=[10.1 17.9 -39.5] dr=1.87 t=42790.0ps kin=1.49 pot=21.53 Rg=30.786 SPS=1625
bl=4180 pos[1]=[13.1 17.6 -39.9] dr=1.91 t=42800.0ps kin=1.54 pot=21.50 Rg=30.711 SPS=1568
bl=4181 pos[1]=[15.6 18.1 -38.8] dr=1.90 t=42810.0ps kin=1.49 pot=21.50 Rg=30.669 SPS=1643
bl=4182 pos[1]=[15.9 17.7 -40.5] dr=1.87 t=42820.0ps kin=1.47 pot=21.53 Rg=30.655 SPS=1682
bl=4183 pos[1]=[13.3 16.6 -42.1] dr=1.85 t=42830.0ps kin=1.50 pot=21.47 Rg=30.638 SPS=1632
bl=4184 pos[1]=[11.9 14.9 -43.4] dr=1.89 t=42840.0ps kin=1.50 pot=21.51 Rg=30.621 SPS=1645
bl=4185 pos[1]=[11.9 13.4 -44.2] dr=2.01 t=42850.0ps kin=1.49 pot=21.51 Rg=30.697 SPS=1561
bl=4186 pos[1]=[11.8 13.7 -46.9] dr=1.92 t=42860.0ps kin=1.51 pot=21.49 Rg=30.695 SPS=1642
bl=4187 pos[1]=[13.3 14.4 -45.9] dr=1.89 t=42870.0ps kin=1.46 pot=21.55 Rg=30.547 SPS=1608
bl=4188 pos[1]=[17.0 14.1 -45.1] dr=1.91 t=42880.0ps kin=1.49 pot=21.54 Rg=30.396 SPS=1595
bl=4189 pos[1]=[18.2 12.0 -43.5] dr=1.95 t=42890.0ps kin=1.50 pot=21.50 Rg=30.332 SPS=1599
bl=4190 pos[1]=[17.6 14.3 -40.8] dr=1.91 t=42900.0ps kin=1.53 pot=21.52 Rg=30.365 SPS=1632
bl=4191 pos[1]=[18.5 15.3 -42.4] dr=1.95 t=42910.0ps kin=1.50 pot=21.52 Rg=30.426 SPS=1641
bl=4192 pos[1]=[21.0 15.9 -40.4] dr=1.91 t=42920.0ps kin=1.52 pot=21.51 Rg=30.513 SPS=1624
bl=4193 pos[1]=[20.2 15.4 -39.5] dr=1.96 t=42930.0ps kin=1.51 pot=21.50 Rg=30.624 SPS=1657
bl=4194 pos[1]=[19.6 16.5 -42.2] dr=1.95 t=42940.0ps kin=1.52 pot=21.48 Rg=30.674 SPS=1640
bl=4195 pos[1]=[21.0 14.0 -42.4] dr=1.91 t=42950.0ps kin=1.51 pot=21.55 Rg=30.668 SPS=1599
bl=4196 pos[1]=[23.4 14.5 -43.0] dr=1.95 t=42960.0ps kin=1.47 pot=21.51 Rg=30.584 SPS=1016
bl=4197 pos[1]=[22.8 12.8 -41.7] dr=1.94 t=42970.0ps kin=1.45 pot=21.50 Rg=30.574 SPS=1251
bl=4198 pos[1]=[23.3 12.0 -42.3] dr=1.83 t=42980.0ps kin=1.46 pot=21.51 Rg=30.603 SPS=1675
bl=4199 pos[1]=[20.9 11.5 -43.7] dr=1.91 t=42990.0ps kin=1.52 pot=21.52 Rg=30.748 SPS=1650
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.87207369 3.2605075 -7.74647502] Rg = 30.748346
median bond size is 0.9690256447554446
three shortest/longest (<10)/ bonds are [0.88597588 0.88939727 0.88978814] [1.08362052 1.10091821 1.10994348]
95 percentile of distance to center is: 43.34924919877072
density of closest 95% monomers is: 0.003775286765273201
density of the core monomers is: 0.011560392506429889
min/median/mean/max coordinates are:
x: -24.38, 11.81, 9.87, 53.92
y: -35.45, 1.54, 3.26, 40.64
z: -47.62, -4.77, -7.75, 27.02
Statistics for velocities:
mean kinetic energy is: 1.5172232535638688 should be: 1.5
fastest particles are (in kT): [7.5329559 7.55169532 7.79492659 7.84697886 8.01565548]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.519928788716815
bl=4200 pos[1]=[20.0 13.9 -44.2] dr=1.93 t=43000.0ps kin=1.50 pot=21.52 Rg=30.722 SPS=1633
bl=4201 pos[1]=[19.1 14.5 -45.9] dr=1.94 t=43010.0ps kin=1.49 pot=21.53 Rg=30.584 SPS=1634
bl=4202 pos[1]=[17.2 16.2 -49.4] dr=2.00 t=43020.0ps kin=1.56 pot=21.53 Rg=30.548 SPS=1616
bl=4203 pos[1]=[18.4 15.4 -52.2] dr=1.90 t=43030.0ps kin=1.47 pot=21.53 Rg=30.499 SPS=1608
bl=4204 pos[1]=[18.6 14.5 -51.5] dr=1.98 t=43040.0ps kin=1.53 pot=21.51 Rg=30.385 SPS=1613
bl=4205 pos[1]=[20.5 16.3 -52.1] dr=1.96 t=43050.0ps kin=1.50 pot=21.50 Rg=30.392 SPS=1585
bl=4206 pos[1]=[18.5 16.4 -52.2] dr=1.96 t=43060.0ps kin=1.48 pot=21.54 Rg=30.414 SPS=1595
bl=4207 pos[1]=[15.1 18.9 -52.1] dr=1.93 t=43070.0ps kin=1.48 pot=21.47 Rg=30.445 SPS=1628
bl=4208 pos[1]=[14.4 19.0 -50.6] dr=1.88 t=43080.0ps kin=1.50 pot=21.48 Rg=30.571 SPS=1638
bl=4209 pos[1]=[15.1 18.6 -48.9] dr=1.94 t=43090.0ps kin=1.50 pot=21.52 Rg=30.560 SPS=1633
bl=4210 pos[1]=[11.7 16.9 -48.8] dr=1.93 t=43100.0ps kin=1.50 pot=21.52 Rg=30.540 SPS=1639
bl=4211 pos[1]=[7.8 16.9 -46.7] dr=1.86 t=43110.0ps kin=1.49 pot=21.53 Rg=30.542 SPS=1631
bl=4212 pos[1]=[8.5 20.7 -48.4] dr=1.93 t=43120.0ps kin=1.49 pot=21.57 Rg=30.493 SPS=1601
bl=4213 pos[1]=[8.5 21.8 -47.6] dr=1.99 t=43130.0ps kin=1.51 pot=21.52 Rg=30.501 SPS=1641
bl=4214 pos[1]=[8.5 20.0 -47.9] dr=1.88 t=43140.0ps kin=1.51 pot=21.54 Rg=30.607 SPS=1623
bl=4215 pos[1]=[10.8 22.0 -48.5] dr=1.84 t=43150.0ps kin=1.53 pot=21.54 Rg=30.658 SPS=1629
bl=4216 pos[1]=[12.2 21.0 -49.3] dr=1.90 t=43160.0ps kin=1.51 pot=21.47 Rg=30.693 SPS=1606
bl=4217 pos[1]=[15.6 20.3 -47.4] dr=1.92 t=43170.0ps kin=1.54 pot=21.48 Rg=30.805 SPS=1612
bl=4218 pos[1]=[16.6 18.8 -47.6] dr=1.93 t=43180.0ps kin=1.49 pot=21.50 Rg=30.927 SPS=1616
bl=4219 pos[1]=[14.9 18.6 -49.6] dr=1.92 t=43190.0ps kin=1.47 pot=21.51 Rg=30.994 SPS=1633
bl=4220 pos[1]=[15.6 17.9 -49.5] dr=1.89 t=43200.0ps kin=1.53 pot=21.49 Rg=31.090 SPS=1614
bl=4221 pos[1]=[15.1 18.1 -49.0] dr=1.95 t=43210.0ps kin=1.51 pot=21.46 Rg=31.078 SPS=1610
bl=4222 pos[1]=[13.0 16.8 -48.5] dr=2.01 t=43220.0ps kin=1.54 pot=21.44 Rg=31.008 SPS=1609
bl=4223 pos[1]=[14.0 14.9 -51.2] dr=1.92 t=43230.0ps kin=1.57 pot=21.49 Rg=31.001 SPS=1605
bl=4224 pos[1]=[14.7 14.1 -51.2] dr=1.94 t=43240.0ps kin=1.50 pot=21.52 Rg=30.965 SPS=1606
bl=4225 pos[1]=[15.0 14.8 -51.5] dr=1.94 t=43250.0ps kin=1.54 pot=21.49 Rg=30.861 SPS=1600
bl=4226 pos[1]=[16.8 15.4 -50.1] dr=2.00 t=43260.0ps kin=1.55 pot=21.47 Rg=30.743 SPS=1604
bl=4227 pos[1]=[18.8 14.3 -49.9] dr=2.04 t=43270.0ps kin=1.50 pot=21.45 Rg=30.674 SPS=1618
bl=4228 pos[1]=[21.3 13.1 -48.5] dr=1.93 t=43280.0ps kin=1.50 pot=21.49 Rg=30.640 SPS=1656
bl=4229 pos[1]=[18.9 14.8 -46.6] dr=1.87 t=43290.0ps kin=1.54 pot=21.48 Rg=30.641 SPS=1626
bl=4230 pos[1]=[19.1 14.8 -47.3] dr=1.95 t=43300.0ps kin=1.48 pot=21.54 Rg=30.652 SPS=1615
bl=4231 pos[1]=[18.2 11.6 -48.0] dr=1.94 t=43310.0ps kin=1.52 pot=21.48 Rg=30.651 SPS=1614
bl=4232 pos[1]=[16.0 10.9 -48.2] dr=1.86 t=43320.0ps kin=1.42 pot=21.53 Rg=30.762 SPS=1613
bl=4233 pos[1]=[16.8 15.1 -46.9] dr=1.88 t=43330.0ps kin=1.53 pot=21.51 Rg=30.768 SPS=1592
bl=4234 pos[1]=[18.7 14.4 -45.9] dr=1.90 t=43340.0ps kin=1.49 pot=21.51 Rg=30.770 SPS=1621
bl=4235 pos[1]=[17.7 14.1 -47.5] dr=1.94 t=43350.0ps kin=1.53 pot=21.53 Rg=30.730 SPS=1653
bl=4236 pos[1]=[15.2 16.7 -48.3] dr=1.93 t=43360.0ps kin=1.52 pot=21.51 Rg=30.749 SPS=1624
bl=4237 pos[1]=[15.3 19.4 -47.7] dr=1.97 t=43370.0ps kin=1.44 pot=21.58 Rg=30.768 SPS=1637
bl=4238 pos[1]=[13.6 19.4 -48.9] dr=1.90 t=43380.0ps kin=1.55 pot=21.52 Rg=30.721 SPS=1593
bl=4239 pos[1]=[14.7 19.1 -50.7] dr=1.95 t=43390.0ps kin=1.49 pot=21.46 Rg=30.676 SPS=1629
bl=4240 pos[1]=[13.4 20.1 -49.4] dr=1.89 t=43400.0ps kin=1.49 pot=21.46 Rg=30.679 SPS=1604
bl=4241 pos[1]=[13.6 16.8 -48.9] dr=1.96 t=43410.0ps kin=1.51 pot=21.49 Rg=30.630 SPS=1615
bl=4242 pos[1]=[13.2 11.6 -44.2] dr=1.96 t=43420.0ps kin=1.54 pot=21.49 Rg=30.566 SPS=1615
bl=4243 pos[1]=[12.8 12.1 -43.9] dr=1.91 t=43430.0ps kin=1.45 pot=21.51 Rg=30.477 SPS=1434
bl=4244 pos[1]=[14.3 12.9 -43.0] dr=1.95 t=43440.0ps kin=1.50 pot=21.52 Rg=30.563 SPS=1617
bl=4245 pos[1]=[17.6 13.2 -45.0] dr=1.87 t=43450.0ps kin=1.52 pot=21.54 Rg=30.728 SPS=1630
bl=4246 pos[1]=[18.8 12.1 -44.9] dr=1.90 t=43460.0ps kin=1.48 pot=21.54 Rg=30.828 SPS=1623
bl=4247 pos[1]=[18.8 13.4 -43.1] dr=2.02 t=43470.0ps kin=1.52 pot=21.50 Rg=30.850 SPS=1668
bl=4248 pos[1]=[20.3 12.8 -41.9] dr=1.98 t=43480.0ps kin=1.52 pot=21.51 Rg=30.822 SPS=1634
bl=4249 pos[1]=[18.9 15.9 -40.2] dr=1.98 t=43490.0ps kin=1.47 pot=21.51 Rg=30.740 SPS=1627
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.86471959 3.37812458 -7.40749064] Rg = 30.740232
median bond size is 0.9688158914337321
three shortest/longest (<10)/ bonds are [0.8862351 0.88645253 0.88984482] [1.09028521 1.09232014 1.1074394 ]
95 percentile of distance to center is: 43.24118923456892
density of closest 95% monomers is: 0.003803660940229825
density of the core monomers is: 0.010495770897979078
min/median/mean/max coordinates are:
x: -27.80, 13.55, 9.86, 49.74
y: -41.56, 2.68, 3.38, 36.39
z: -44.82, -6.34, -7.41, 18.37
Statistics for velocities:
mean kinetic energy is: 1.468470279684718 should be: 1.5
fastest particles are (in kT): [ 6.68728475 7.08412669 7.69978122 7.99201466 10.49817462]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.507531630254423
bl=4250 pos[1]=[19.1 14.4 -41.3] dr=1.90 t=43500.0ps kin=1.46 pot=21.47 Rg=30.734 SPS=1619
bl=4251 pos[1]=[17.2 13.5 -43.1] dr=2.02 t=43510.0ps kin=1.52 pot=21.52 Rg=30.691 SPS=1596
bl=4252 pos[1]=[18.0 12.2 -45.5] dr=1.94 t=43520.0ps kin=1.49 pot=21.50 Rg=30.819 SPS=1589
bl=4253 pos[1]=[18.6 14.3 -47.2] dr=1.96 t=43530.0ps kin=1.46 pot=21.49 Rg=30.885 SPS=1601
bl=4254 pos[1]=[18.5 16.1 -44.3] dr=2.00 t=43540.0ps kin=1.50 pot=21.50 Rg=30.916 SPS=1626
bl=4255 pos[1]=[18.5 16.0 -42.3] dr=1.91 t=43550.0ps kin=1.48 pot=21.48 Rg=30.964 SPS=1631
bl=4256 pos[1]=[18.3 14.9 -42.7] dr=1.98 t=43560.0ps kin=1.53 pot=21.53 Rg=30.977 SPS=1612
bl=4257 pos[1]=[19.0 16.7 -44.4] dr=2.00 t=43570.0ps kin=1.49 pot=21.51 Rg=30.884 SPS=1644
bl=4258 pos[1]=[19.7 14.8 -42.5] dr=1.96 t=43580.0ps kin=1.50 pot=21.51 Rg=30.819 SPS=1600
bl=4259 pos[1]=[19.7 14.8 -42.8] dr=1.91 t=43590.0ps kin=1.50 pot=21.49 Rg=30.793 SPS=1594
bl=4260 pos[1]=[22.3 15.6 -38.4] dr=1.98 t=43600.0ps kin=1.46 pot=21.49 Rg=30.699 SPS=1616
bl=4261 pos[1]=[22.1 18.0 -38.8] dr=1.99 t=43610.0ps kin=1.49 pot=21.50 Rg=30.711 SPS=1591
bl=4262 pos[1]=[20.1 19.7 -37.6] dr=1.91 t=43620.0ps kin=1.44 pot=21.52 Rg=30.702 SPS=1630
bl=4263 pos[1]=[20.2 20.8 -40.7] dr=1.92 t=43630.0ps kin=1.49 pot=21.55 Rg=30.693 SPS=1625
bl=4264 pos[1]=[20.2 21.4 -39.5] dr=1.96 t=43640.0ps kin=1.53 pot=21.54 Rg=30.702 SPS=1515
bl=4265 pos[1]=[21.4 20.8 -37.3] dr=1.93 t=43650.0ps kin=1.52 pot=21.52 Rg=30.643 SPS=1605
bl=4266 pos[1]=[20.5 20.8 -38.0] dr=1.88 t=43660.0ps kin=1.46 pot=21.52 Rg=30.573 SPS=1640
bl=4267 pos[1]=[19.9 21.0 -39.2] dr=1.91 t=43670.0ps kin=1.51 pot=21.48 Rg=30.456 SPS=1641
bl=4268 pos[1]=[17.2 19.5 -40.0] dr=1.89 t=43680.0ps kin=1.54 pot=21.50 Rg=30.413 SPS=1629
bl=4269 pos[1]=[16.1 17.5 -42.6] dr=1.90 t=43690.0ps kin=1.48 pot=21.58 Rg=30.382 SPS=1639
bl=4270 pos[1]=[14.9 18.6 -41.2] dr=1.91 t=43700.0ps kin=1.47 pot=21.56 Rg=30.388 SPS=1587
bl=4271 pos[1]=[14.9 19.7 -42.3] dr=1.89 t=43710.0ps kin=1.52 pot=21.51 Rg=30.344 SPS=1658
bl=4272 pos[1]=[16.7 17.4 -41.5] dr=1.93 t=43720.0ps kin=1.46 pot=21.54 Rg=30.413 SPS=1618
bl=4273 pos[1]=[16.1 16.9 -43.8] dr=1.95 t=43730.0ps kin=1.49 pot=21.51 Rg=30.478 SPS=1633
bl=4274 pos[1]=[16.3 17.1 -44.2] dr=1.97 t=43740.0ps kin=1.53 pot=21.49 Rg=30.484 SPS=1648
bl=4275 pos[1]=[16.2 16.4 -43.3] dr=1.88 t=43750.0ps kin=1.50 pot=21.52 Rg=30.539 SPS=1652
bl=4276 pos[1]=[19.8 17.6 -41.7] dr=1.91 t=43760.0ps kin=1.49 pot=21.49 Rg=30.537 SPS=1619
bl=4277 pos[1]=[21.2 15.6 -41.2] dr=1.94 t=43770.0ps kin=1.60 pot=21.48 Rg=30.610 SPS=1653
bl=4278 pos[1]=[20.3 16.5 -39.2] dr=1.95 t=43780.0ps kin=1.48 pot=21.53 Rg=30.678 SPS=1618
bl=4279 pos[1]=[21.8 17.6 -40.3] dr=1.91 t=43790.0ps kin=1.51 pot=21.52 Rg=30.673 SPS=1609
bl=4280 pos[1]=[22.4 19.3 -42.7] dr=1.95 t=43800.0ps kin=1.51 pot=21.49 Rg=30.575 SPS=1590
bl=4281 pos[1]=[22.0 21.3 -40.2] dr=1.89 t=43810.0ps kin=1.48 pot=21.52 Rg=30.476 SPS=1649
bl=4282 pos[1]=[21.3 21.2 -39.7] dr=1.96 t=43820.0ps kin=1.51 pot=21.51 Rg=30.377 SPS=1642
bl=4283 pos[1]=[21.5 19.6 -36.4] dr=1.97 t=43830.0ps kin=1.50 pot=21.53 Rg=30.255 SPS=1653
bl=4284 pos[1]=[22.3 19.5 -38.3] dr=1.96 t=43840.0ps kin=1.48 pot=21.51 Rg=30.194 SPS=1613
bl=4285 pos[1]=[20.0 19.0 -39.1] dr=1.91 t=43850.0ps kin=1.49 pot=21.51 Rg=30.252 SPS=1557
bl=4286 pos[1]=[19.9 18.1 -40.4] dr=1.91 t=43860.0ps kin=1.48 pot=21.55 Rg=30.369 SPS=1610
bl=4287 pos[1]=[20.7 20.3 -39.3] dr=1.92 t=43870.0ps kin=1.48 pot=21.51 Rg=30.503 SPS=1652
bl=4288 pos[1]=[18.2 19.1 -36.5] dr=1.93 t=43880.0ps kin=1.51 pot=21.51 Rg=30.453 SPS=1618
bl=4289 pos[1]=[19.9 16.6 -38.9] dr=1.89 t=43890.0ps kin=1.48 pot=21.52 Rg=30.403 SPS=1609
bl=4290 pos[1]=[20.5 16.4 -38.9] dr=1.87 t=43900.0ps kin=1.45 pot=21.50 Rg=30.383 SPS=1481
bl=4291 pos[1]=[19.9 14.9 -38.9] dr=1.92 t=43910.0ps kin=1.46 pot=21.58 Rg=30.379 SPS=1568
bl=4292 pos[1]=[21.1 19.0 -40.1] dr=1.95 t=43920.0ps kin=1.50 pot=21.48 Rg=30.381 SPS=1623
bl=4293 pos[1]=[19.4 19.2 -35.9] dr=1.88 t=43930.0ps kin=1.46 pot=21.54 Rg=30.391 SPS=1644
bl=4294 pos[1]=[19.7 17.6 -37.4] dr=1.85 t=43940.0ps kin=1.43 pot=21.54 Rg=30.456 SPS=1606
bl=4295 pos[1]=[18.8 19.3 -38.7] dr=2.00 t=43950.0ps kin=1.56 pot=21.55 Rg=30.543 SPS=1615
bl=4296 pos[1]=[20.2 20.1 -40.2] dr=1.90 t=43960.0ps kin=1.51 pot=21.53 Rg=30.577 SPS=1595
bl=4297 pos[1]=[21.9 18.9 -40.3] dr=1.93 t=43970.0ps kin=1.50 pot=21.54 Rg=30.504 SPS=1594
bl=4298 pos[1]=[25.6 19.0 -41.5] dr=1.97 t=43980.0ps kin=1.49 pot=21.57 Rg=30.468 SPS=1581
bl=4299 pos[1]=[24.5 20.4 -39.2] dr=1.88 t=43990.0ps kin=1.48 pot=21.55 Rg=30.434 SPS=1610
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.68451062 3.22465117 -5.88126262] Rg = 30.433899
median bond size is 0.9680112199308435
three shortest/longest (<10)/ bonds are [0.88702809 0.88764107 0.89178439] [1.10732308 1.12058394 1.12235959]
95 percentile of distance to center is: 43.393233897113895
density of closest 95% monomers is: 0.0037638181624564293
density of the core monomers is: 0.01196394039990725
min/median/mean/max coordinates are:
x: -23.48, 12.90, 10.68, 48.13
y: -44.37, 4.31, 3.22, 37.35
z: -39.52, -3.81, -5.88, 25.40
Statistics for velocities:
mean kinetic energy is: 1.479050160708998 should be: 1.5
fastest particles are (in kT): [6.67780406 7.22162909 7.3627657 8.1487139 8.97963626]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.550549352415192
bl=4300 pos[1]=[25.7 22.5 -36.5] dr=1.85 t=44000.0ps kin=1.45 pot=21.53 Rg=30.383 SPS=1593
bl=4301 pos[1]=[24.6 22.9 -35.3] dr=1.90 t=44010.0ps kin=1.54 pot=21.56 Rg=30.245 SPS=1564
bl=4302 pos[1]=[26.4 23.3 -35.1] dr=1.93 t=44020.0ps kin=1.54 pot=21.52 Rg=30.198 SPS=1612
bl=4303 pos[1]=[26.6 25.8 -36.6] dr=1.91 t=44030.0ps kin=1.54 pot=21.53 Rg=30.231 SPS=1616
bl=4304 pos[1]=[26.0 25.4 -40.8] dr=1.94 t=44040.0ps kin=1.51 pot=21.53 Rg=30.251 SPS=1627
bl=4305 pos[1]=[25.5 24.6 -42.2] dr=1.96 t=44050.0ps kin=1.51 pot=21.54 Rg=30.317 SPS=1604
bl=4306 pos[1]=[25.1 21.0 -42.8] dr=1.92 t=44060.0ps kin=1.49 pot=21.50 Rg=30.300 SPS=1638
bl=4307 pos[1]=[24.5 20.5 -44.8] dr=1.85 t=44070.0ps kin=1.48 pot=21.52 Rg=30.337 SPS=1612
bl=4308 pos[1]=[22.5 19.7 -45.9] dr=1.95 t=44080.0ps kin=1.47 pot=21.49 Rg=30.354 SPS=1654
bl=4309 pos[1]=[19.6 17.7 -46.3] dr=1.88 t=44090.0ps kin=1.52 pot=21.49 Rg=30.280 SPS=1524
bl=4310 pos[1]=[18.4 15.6 -46.7] dr=1.96 t=44100.0ps kin=1.49 pot=21.48 Rg=30.163 SPS=1616
bl=4311 pos[1]=[20.3 11.3 -45.2] dr=1.94 t=44110.0ps kin=1.50 pot=21.50 Rg=30.084 SPS=1620
bl=4312 pos[1]=[23.9 10.9 -43.3] dr=1.91 t=44120.0ps kin=1.45 pot=21.50 Rg=29.931 SPS=1597
bl=4313 pos[1]=[23.7 10.0 -44.7] dr=1.91 t=44130.0ps kin=1.47 pot=21.53 Rg=29.779 SPS=1583
bl=4314 pos[1]=[24.3 10.4 -41.9] dr=1.96 t=44140.0ps kin=1.54 pot=21.53 Rg=29.740 SPS=1561
bl=4315 pos[1]=[25.1 12.3 -44.9] dr=1.98 t=44150.0ps kin=1.45 pot=21.53 Rg=29.770 SPS=1631
bl=4316 pos[1]=[26.2 9.5 -43.0] dr=1.87 t=44160.0ps kin=1.48 pot=21.47 Rg=29.832 SPS=1446
bl=4317 pos[1]=[23.8 8.2 -42.0] dr=1.92 t=44170.0ps kin=1.56 pot=21.51 Rg=29.872 SPS=1596
bl=4318 pos[1]=[20.5 10.7 -42.9] dr=2.00 t=44180.0ps kin=1.53 pot=21.55 Rg=29.768 SPS=1614
bl=4319 pos[1]=[21.4 11.3 -43.4] dr=1.86 t=44190.0ps kin=1.48 pot=21.58 Rg=29.647 SPS=1615
bl=4320 pos[1]=[22.2 9.5 -42.0] dr=1.87 t=44200.0ps kin=1.51 pot=21.52 Rg=29.591 SPS=1602
bl=4321 pos[1]=[25.6 11.8 -41.7] dr=1.88 t=44210.0ps kin=1.52 pot=21.51 Rg=29.531 SPS=1700
bl=4322 pos[1]=[27.7 12.0 -39.7] dr=1.92 t=44220.0ps kin=1.46 pot=21.51 Rg=29.554 SPS=1647
bl=4323 pos[1]=[25.8 10.6 -40.9] dr=1.95 t=44230.0ps kin=1.49 pot=21.52 Rg=29.610 SPS=1615
bl=4324 pos[1]=[25.8 12.9 -40.2] dr=1.93 t=44240.0ps kin=1.51 pot=21.50 Rg=29.666 SPS=1616
bl=4325 pos[1]=[23.1 12.4 -37.3] dr=1.93 t=44250.0ps kin=1.45 pot=21.53 Rg=29.667 SPS=1576
bl=4326 pos[1]=[23.3 9.9 -37.7] dr=1.85 t=44260.0ps kin=1.53 pot=21.52 Rg=29.730 SPS=1598
bl=4327 pos[1]=[26.1 9.8 -38.1] dr=1.92 t=44270.0ps kin=1.51 pot=21.46 Rg=29.851 SPS=1613
bl=4328 pos[1]=[25.1 10.5 -36.5] dr=1.97 t=44280.0ps kin=1.51 pot=21.47 Rg=30.031 SPS=1620
bl=4329 pos[1]=[24.1 10.0 -35.0] dr=1.90 t=44290.0ps kin=1.48 pot=21.50 Rg=30.032 SPS=1644
bl=4330 pos[1]=[23.6 9.6 -36.7] dr=1.81 t=44300.0ps kin=1.51 pot=21.47 Rg=29.993 SPS=1626
bl=4331 pos[1]=[25.0 8.1 -35.9] dr=1.84 t=44310.0ps kin=1.43 pot=21.51 Rg=29.959 SPS=1662
bl=4332 pos[1]=[24.1 7.1 -36.9] dr=1.89 t=44320.0ps kin=1.50 pot=21.47 Rg=29.951 SPS=1600
bl=4333 pos[1]=[21.6 5.6 -37.8] dr=1.91 t=44330.0ps kin=1.48 pot=21.54 Rg=29.853 SPS=1601
bl=4334 pos[1]=[21.4 3.9 -37.7] dr=1.94 t=44340.0ps kin=1.49 pot=21.52 Rg=29.750 SPS=1614
bl=4335 pos[1]=[23.9 6.1 -39.5] dr=1.85 t=44350.0ps kin=1.53 pot=21.50 Rg=29.712 SPS=1581
bl=4336 pos[1]=[22.8 9.1 -40.1] dr=1.88 t=44360.0ps kin=1.54 pot=21.54 Rg=29.550 SPS=1624
bl=4337 pos[1]=[22.7 6.4 -40.3] dr=1.92 t=44370.0ps kin=1.53 pot=21.56 Rg=29.393 SPS=1656
bl=4338 pos[1]=[22.4 5.6 -41.1] dr=1.96 t=44380.0ps kin=1.53 pot=21.53 Rg=29.343 SPS=1546
bl=4339 pos[1]=[24.9 6.1 -40.4] dr=1.94 t=44390.0ps kin=1.49 pot=21.49 Rg=29.291 SPS=1623
bl=4340 pos[1]=[26.9 5.6 -38.9] dr=1.95 t=44400.0ps kin=1.51 pot=21.53 Rg=29.291 SPS=1637
bl=4341 pos[1]=[25.8 7.7 -37.2] dr=1.96 t=44410.0ps kin=1.51 pot=21.54 Rg=29.341 SPS=1632
bl=4342 pos[1]=[24.7 7.5 -37.4] dr=1.85 t=44420.0ps kin=1.48 pot=21.54 Rg=29.394 SPS=1615
bl=4343 pos[1]=[24.5 4.4 -34.3] dr=1.89 t=44430.0ps kin=1.57 pot=21.50 Rg=29.408 SPS=1596
bl=4344 pos[1]=[25.0 2.9 -35.9] dr=1.95 t=44440.0ps kin=1.52 pot=21.49 Rg=29.515 SPS=1609
bl=4345 pos[1]=[22.1 3.7 -35.5] dr=1.91 t=44450.0ps kin=1.55 pot=21.49 Rg=29.550 SPS=1623
bl=4346 pos[1]=[22.4 7.9 -34.2] dr=1.87 t=44460.0ps kin=1.50 pot=21.52 Rg=29.471 SPS=1645
bl=4347 pos[1]=[19.9 7.0 -33.6] dr=1.89 t=44470.0ps kin=1.49 pot=21.53 Rg=29.347 SPS=1641
bl=4348 pos[1]=[21.5 7.7 -33.1] dr=1.90 t=44480.0ps kin=1.57 pot=21.52 Rg=29.259 SPS=1607
bl=4349 pos[1]=[19.4 6.2 -34.4] dr=1.95 t=44490.0ps kin=1.54 pot=21.52 Rg=29.232 SPS=1630
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.05244768 1.6251596 -5.72513031] Rg = 29.231684
median bond size is 0.9676049116735945
three shortest/longest (<10)/ bonds are [0.88037916 0.88964378 0.8905881 ] [1.08400438 1.085025 1.10768537]
95 percentile of distance to center is: 43.58737430062652
density of closest 95% monomers is: 0.003713749118081255
density of the core monomers is: 0.010794622293074728
min/median/mean/max coordinates are:
x: -22.70, 12.77, 11.05, 46.70
y: -41.26, 2.36, 1.63, 37.57
z: -36.70, -2.95, -5.73, 29.65
Statistics for velocities:
mean kinetic energy is: 1.5406263466687367 should be: 1.5
fastest particles are (in kT): [6.20445277 6.34859031 7.06365954 7.70334302 9.13155344]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.515417588495573
bl=4350 pos[1]=[18.6 8.0 -31.5] dr=1.92 t=44500.0ps kin=1.50 pot=21.54 Rg=29.260 SPS=1686
bl=4351 pos[1]=[20.1 6.8 -31.5] dr=1.92 t=44510.0ps kin=1.54 pot=21.51 Rg=29.195 SPS=1618
bl=4352 pos[1]=[19.2 9.4 -32.5] dr=1.97 t=44520.0ps kin=1.47 pot=21.53 Rg=29.200 SPS=1652
bl=4353 pos[1]=[19.1 8.0 -31.1] dr=1.90 t=44530.0ps kin=1.52 pot=21.50 Rg=29.295 SPS=1575
bl=4354 pos[1]=[18.0 8.5 -31.8] dr=1.93 t=44540.0ps kin=1.49 pot=21.49 Rg=29.341 SPS=1581
bl=4355 pos[1]=[17.8 8.6 -33.7] dr=1.95 t=44550.0ps kin=1.49 pot=21.49 Rg=29.397 SPS=1581
bl=4356 pos[1]=[16.1 9.4 -33.8] dr=1.98 t=44560.0ps kin=1.49 pot=21.50 Rg=29.507 SPS=1613
bl=4357 pos[1]=[21.4 7.1 -34.5] dr=1.95 t=44570.0ps kin=1.48 pot=21.51 Rg=29.656 SPS=1647
bl=4358 pos[1]=[21.3 5.2 -33.4] dr=1.95 t=44580.0ps kin=1.52 pot=21.53 Rg=29.817 SPS=1646
bl=4359 pos[1]=[22.8 5.9 -35.3] dr=1.89 t=44590.0ps kin=1.50 pot=21.58 Rg=29.899 SPS=1526
bl=4360 pos[1]=[21.5 3.8 -35.9] dr=1.89 t=44600.0ps kin=1.52 pot=21.53 Rg=29.908 SPS=1468
bl=4361 pos[1]=[21.9 3.4 -37.7] dr=2.01 t=44610.0ps kin=1.51 pot=21.53 Rg=29.887 SPS=1566
bl=4362 pos[1]=[19.8 4.4 -39.4] dr=1.87 t=44620.0ps kin=1.44 pot=21.52 Rg=29.923 SPS=1604
bl=4363 pos[1]=[18.1 3.9 -39.5] dr=1.87 t=44630.0ps kin=1.47 pot=21.54 Rg=29.912 SPS=1576
bl=4364 pos[1]=[18.0 3.9 -39.2] dr=1.89 t=44640.0ps kin=1.51 pot=21.50 Rg=29.925 SPS=1593
bl=4365 pos[1]=[18.3 4.8 -40.4] dr=1.90 t=44650.0ps kin=1.47 pot=21.49 Rg=30.009 SPS=1558
bl=4366 pos[1]=[19.9 3.8 -38.2] dr=1.93 t=44660.0ps kin=1.51 pot=21.49 Rg=30.010 SPS=1565
bl=4367 pos[1]=[19.1 3.3 -38.9] dr=1.91 t=44670.0ps kin=1.48 pot=21.50 Rg=29.917 SPS=1557
bl=4368 pos[1]=[21.1 5.0 -38.2] dr=1.97 t=44680.0ps kin=1.48 pot=21.50 Rg=29.793 SPS=1379
bl=4369 pos[1]=[25.2 5.2 -36.5] dr=1.90 t=44690.0ps kin=1.47 pot=21.48 Rg=29.760 SPS=1664
bl=4370 pos[1]=[23.7 8.2 -37.3] dr=1.91 t=44700.0ps kin=1.53 pot=21.52 Rg=29.781 SPS=1626
bl=4371 pos[1]=[26.0 8.5 -35.4] dr=1.93 t=44710.0ps kin=1.52 pot=21.50 Rg=29.766 SPS=1609
bl=4372 pos[1]=[22.9 5.8 -34.4] dr=1.98 t=44720.0ps kin=1.54 pot=21.55 Rg=29.647 SPS=1608
bl=4373 pos[1]=[21.8 7.5 -36.2] dr=1.93 t=44730.0ps kin=1.51 pot=21.55 Rg=29.580 SPS=1633
bl=4374 pos[1]=[22.8 8.0 -38.9] dr=2.00 t=44740.0ps kin=1.51 pot=21.53 Rg=29.637 SPS=1589
bl=4375 pos[1]=[22.8 9.0 -42.0] dr=1.90 t=44750.0ps kin=1.50 pot=21.49 Rg=29.571 SPS=1638
bl=4376 pos[1]=[24.1 8.7 -41.2] dr=1.90 t=44760.0ps kin=1.51 pot=21.54 Rg=29.517 SPS=1675
bl=4377 pos[1]=[24.4 8.5 -41.7] dr=1.91 t=44770.0ps kin=1.50 pot=21.54 Rg=29.495 SPS=1612
bl=4378 pos[1]=[21.5 8.3 -40.6] dr=1.99 t=44780.0ps kin=1.51 pot=21.52 Rg=29.502 SPS=1592
bl=4379 pos[1]=[21.5 10.8 -42.1] dr=1.97 t=44790.0ps kin=1.50 pot=21.53 Rg=29.471 SPS=1611
bl=4380 pos[1]=[23.6 10.5 -44.6] dr=1.91 t=44800.0ps kin=1.47 pot=21.51 Rg=29.360 SPS=1608
bl=4381 pos[1]=[22.4 11.2 -42.1] dr=1.88 t=44810.0ps kin=1.50 pot=21.53 Rg=29.241 SPS=1624
bl=4382 pos[1]=[22.9 11.5 -44.2] dr=1.91 t=44820.0ps kin=1.53 pot=21.51 Rg=29.221 SPS=1593
bl=4383 pos[1]=[23.0 11.5 -43.7] dr=1.97 t=44830.0ps kin=1.55 pot=21.50 Rg=29.321 SPS=1609
bl=4384 pos[1]=[22.1 13.3 -42.9] dr=1.98 t=44840.0ps kin=1.53 pot=21.51 Rg=29.424 SPS=1638
bl=4385 pos[1]=[21.6 13.9 -41.2] dr=1.84 t=44850.0ps kin=1.56 pot=21.49 Rg=29.470 SPS=1488
bl=4386 pos[1]=[19.7 11.6 -39.1] dr=1.97 t=44860.0ps kin=1.52 pot=21.51 Rg=29.371 SPS=1610
bl=4387 pos[1]=[21.4 8.3 -39.3] dr=2.03 t=44870.0ps kin=1.53 pot=21.56 Rg=29.228 SPS=1611
bl=4388 pos[1]=[19.5 5.0 -39.9] dr=1.97 t=44880.0ps kin=1.54 pot=21.53 Rg=29.114 SPS=1630
bl=4389 pos[1]=[20.6 5.0 -37.2] dr=1.98 t=44890.0ps kin=1.49 pot=21.53 Rg=29.066 SPS=1592
bl=4390 pos[1]=[22.3 6.7 -33.3] dr=1.90 t=44900.0ps kin=1.49 pot=21.49 Rg=28.992 SPS=1608
bl=4391 pos[1]=[22.6 7.3 -34.5] dr=1.87 t=44910.0ps kin=1.53 pot=21.54 Rg=28.990 SPS=1635
bl=4392 pos[1]=[22.4 8.9 -33.3] dr=1.98 t=44920.0ps kin=1.55 pot=21.53 Rg=29.031 SPS=1604
bl=4393 pos[1]=[21.7 9.9 -34.1] dr=1.95 t=44930.0ps kin=1.53 pot=21.50 Rg=28.986 SPS=1649
bl=4394 pos[1]=[23.7 10.8 -36.0] dr=1.95 t=44940.0ps kin=1.47 pot=21.54 Rg=28.928 SPS=1604
bl=4395 pos[1]=[24.5 10.5 -35.9] dr=1.92 t=44950.0ps kin=1.49 pot=21.51 Rg=28.854 SPS=1639
bl=4396 pos[1]=[23.3 9.5 -34.2] dr=1.96 t=44960.0ps kin=1.51 pot=21.51 Rg=28.673 SPS=1611
bl=4397 pos[1]=[22.1 7.9 -33.1] dr=1.93 t=44970.0ps kin=1.46 pot=21.52 Rg=28.576 SPS=1622
bl=4398 pos[1]=[23.4 5.0 -30.7] dr=1.84 t=44980.0ps kin=1.48 pot=21.52 Rg=28.484 SPS=1679
bl=4399 pos[1]=[21.3 2.4 -28.4] dr=1.84 t=44990.0ps kin=1.53 pot=21.51 Rg=28.368 SPS=1652
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.77959857 3.38857969 -5.17984431] Rg = 28.3684
median bond size is 0.967767050676466
three shortest/longest (<10)/ bonds are [0.88139139 0.89271326 0.89321597] [1.09209302 1.09390601 1.11667516]
95 percentile of distance to center is: 42.77221659036937
density of closest 95% monomers is: 0.003930152599995289
density of the core monomers is: 0.012675403347055273
min/median/mean/max coordinates are:
x: -20.12, 9.72, 10.78, 47.50
y: -41.62, 3.41, 3.39, 33.26
z: -35.04, -4.25, -5.18, 24.73
Statistics for velocities:
mean kinetic energy is: 1.5327726721909 should be: 1.5
fastest particles are (in kT): [6.99749016 7.0094858 7.06609903 7.21241618 8.18521069]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.509152032632745
bl=4400 pos[1]=[19.6 4.0 -29.8] dr=1.93 t=45000.0ps kin=1.52 pot=21.49 Rg=28.274 SPS=1555
bl=4401 pos[1]=[20.9 6.7 -28.7] dr=1.95 t=45010.0ps kin=1.48 pot=21.50 Rg=28.343 SPS=1654
bl=4402 pos[1]=[18.4 8.1 -28.7] dr=1.95 t=45020.0ps kin=1.56 pot=21.49 Rg=28.304 SPS=1602
bl=4403 pos[1]=[21.4 11.6 -32.3] dr=1.92 t=45030.0ps kin=1.53 pot=21.50 Rg=28.323 SPS=1627
bl=4404 pos[1]=[21.7 12.5 -31.5] dr=1.94 t=45040.0ps kin=1.53 pot=21.47 Rg=28.360 SPS=1625
bl=4405 pos[1]=[23.0 9.8 -30.8] dr=1.90 t=45050.0ps kin=1.53 pot=21.48 Rg=28.374 SPS=1617
bl=4406 pos[1]=[22.0 9.8 -30.7] dr=1.92 t=45060.0ps kin=1.46 pot=21.54 Rg=28.400 SPS=1623
bl=4407 pos[1]=[20.1 11.9 -28.8] dr=1.93 t=45070.0ps kin=1.54 pot=21.53 Rg=28.437 SPS=1603
bl=4408 pos[1]=[24.2 14.4 -30.9] dr=1.98 t=45080.0ps kin=1.54 pot=21.49 Rg=28.450 SPS=1572
bl=4409 pos[1]=[25.1 13.8 -31.4] dr=1.97 t=45090.0ps kin=1.52 pot=21.53 Rg=28.515 SPS=1588
bl=4410 pos[1]=[26.6 12.8 -30.8] dr=1.90 t=45100.0ps kin=1.48 pot=21.53 Rg=28.549 SPS=1566
bl=4411 pos[1]=[26.2 11.8 -34.0] dr=1.89 t=45110.0ps kin=1.54 pot=21.52 Rg=28.555 SPS=1595
bl=4412 pos[1]=[25.7 10.7 -32.9] dr=1.95 t=45120.0ps kin=1.58 pot=21.53 Rg=28.481 SPS=1490
bl=4413 pos[1]=[28.2 10.3 -31.4] dr=1.87 t=45130.0ps kin=1.51 pot=21.50 Rg=28.487 SPS=1613
bl=4414 pos[1]=[27.9 10.5 -30.4] dr=1.90 t=45140.0ps kin=1.51 pot=21.48 Rg=28.402 SPS=1590
bl=4415 pos[1]=[27.1 7.8 -29.9] dr=1.87 t=45150.0ps kin=1.46 pot=21.51 Rg=28.413 SPS=1573
bl=4416 pos[1]=[24.7 4.5 -28.8] dr=1.91 t=45160.0ps kin=1.51 pot=21.51 Rg=28.463 SPS=1577
bl=4417 pos[1]=[25.0 1.0 -29.0] dr=1.97 t=45170.0ps kin=1.51 pot=21.50 Rg=28.654 SPS=1622
bl=4418 pos[1]=[25.5 -0.5 -30.0] dr=1.91 t=45180.0ps kin=1.49 pot=21.50 Rg=28.841 SPS=1589
bl=4419 pos[1]=[22.8 -1.3 -31.6] dr=1.94 t=45190.0ps kin=1.52 pot=21.47 Rg=28.935 SPS=1567
bl=4420 pos[1]=[24.4 1.2 -30.3] dr=1.90 t=45200.0ps kin=1.56 pot=21.54 Rg=28.978 SPS=1592
bl=4421 pos[1]=[25.9 -1.0 -32.8] dr=1.89 t=45210.0ps kin=1.53 pot=21.50 Rg=28.913 SPS=1606
bl=4422 pos[1]=[28.2 1.0 -35.1] dr=1.91 t=45220.0ps kin=1.57 pot=21.51 Rg=28.715 SPS=1582
bl=4423 pos[1]=[24.3 5.0 -36.9] dr=1.92 t=45230.0ps kin=1.53 pot=21.49 Rg=28.669 SPS=1602
bl=4424 pos[1]=[24.8 5.4 -34.9] dr=1.85 t=45240.0ps kin=1.52 pot=21.53 Rg=28.625 SPS=1596
bl=4425 pos[1]=[24.1 4.2 -35.1] dr=1.93 t=45250.0ps kin=1.51 pot=21.48 Rg=28.604 SPS=1610
bl=4426 pos[1]=[25.9 3.2 -36.2] dr=1.91 t=45260.0ps kin=1.51 pot=21.50 Rg=28.538 SPS=1600
bl=4427 pos[1]=[27.4 0.2 -35.0] dr=1.93 t=45270.0ps kin=1.44 pot=21.54 Rg=28.452 SPS=1637
bl=4428 pos[1]=[28.1 1.2 -36.3] dr=1.88 t=45280.0ps kin=1.48 pot=21.55 Rg=28.437 SPS=1593
bl=4429 pos[1]=[30.0 0.9 -36.9] dr=1.92 t=45290.0ps kin=1.55 pot=21.52 Rg=28.416 SPS=1608
bl=4430 pos[1]=[32.0 4.3 -36.3] dr=1.96 t=45300.0ps kin=1.49 pot=21.56 Rg=28.367 SPS=1595
bl=4431 pos[1]=[31.9 7.7 -37.6] dr=1.87 t=45310.0ps kin=1.48 pot=21.53 Rg=28.313 SPS=1610
bl=4432 pos[1]=[31.7 9.0 -35.9] dr=1.89 t=45320.0ps kin=1.50 pot=21.48 Rg=28.280 SPS=1566
bl=4433 pos[1]=[32.9 8.9 -35.3] dr=1.94 t=45330.0ps kin=1.46 pot=21.52 Rg=28.273 SPS=1501
bl=4434 pos[1]=[34.6 8.5 -34.1] dr=1.89 t=45340.0ps kin=1.50 pot=21.51 Rg=28.264 SPS=1580
bl=4435 pos[1]=[34.8 12.5 -33.5] dr=1.89 t=45350.0ps kin=1.56 pot=21.54 Rg=28.194 SPS=1598
bl=4436 pos[1]=[33.0 13.8 -33.3] dr=1.89 t=45360.0ps kin=1.49 pot=21.54 Rg=28.051 SPS=1492
bl=4437 pos[1]=[31.7 11.9 -34.6] dr=1.90 t=45370.0ps kin=1.47 pot=21.52 Rg=27.908 SPS=1625
bl=4438 pos[1]=[35.5 8.7 -33.6] dr=1.93 t=45380.0ps kin=1.53 pot=21.53 Rg=27.848 SPS=1621
bl=4439 pos[1]=[38.5 9.4 -28.9] dr=1.95 t=45390.0ps kin=1.54 pot=21.57 Rg=27.854 SPS=1572
bl=4440 pos[1]=[38.4 10.5 -27.1] dr=1.94 t=45400.0ps kin=1.53 pot=21.51 Rg=27.889 SPS=1592
bl=4441 pos[1]=[36.6 8.4 -25.5] dr=1.99 t=45410.0ps kin=1.55 pot=21.54 Rg=27.972 SPS=1541
bl=4442 pos[1]=[37.2 5.1 -25.8] dr=1.98 t=45420.0ps kin=1.55 pot=21.57 Rg=28.006 SPS=1625
bl=4443 pos[1]=[37.7 4.2 -27.2] dr=1.90 t=45430.0ps kin=1.55 pot=21.51 Rg=28.082 SPS=1613
bl=4444 pos[1]=[34.9 9.7 -27.8] dr=1.91 t=45440.0ps kin=1.49 pot=21.51 Rg=28.087 SPS=1604
bl=4445 pos[1]=[31.4 7.3 -27.3] dr=1.94 t=45450.0ps kin=1.44 pot=21.51 Rg=28.161 SPS=1613
bl=4446 pos[1]=[30.7 5.0 -29.6] dr=1.92 t=45460.0ps kin=1.45 pot=21.50 Rg=28.288 SPS=1588
bl=4447 pos[1]=[32.7 2.9 -27.4] dr=1.95 t=45470.0ps kin=1.50 pot=21.48 Rg=28.336 SPS=1598
bl=4448 pos[1]=[34.0 4.8 -28.2] dr=1.89 t=45480.0ps kin=1.45 pot=21.50 Rg=28.415 SPS=1596
bl=4449 pos[1]=[33.1 5.3 -27.0] dr=1.88 t=45490.0ps kin=1.51 pot=21.50 Rg=28.513 SPS=1607
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.04033497 2.90582503 -4.71022292] Rg = 28.513012
median bond size is 0.9668312371739731
three shortest/longest (<10)/ bonds are [0.88869948 0.89369184 0.8938281 ] [1.08109593 1.09752227 1.10228628]
95 percentile of distance to center is: 42.118006845545764
density of closest 95% monomers is: 0.004116150569950705
density of the core monomers is: 0.007823507191625311
min/median/mean/max coordinates are:
x: -23.01, 9.74, 11.04, 51.34
y: -41.56, 2.14, 2.91, 33.57
z: -34.77, -2.40, -4.71, 24.75
Statistics for velocities:
mean kinetic energy is: 1.5150297620949746 should be: 1.5
fastest particles are (in kT): [7.96243891 8.37474777 8.39185516 8.69317176 9.51399109]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.496862900995573
bl=4450 pos[1]=[31.9 4.2 -27.0] dr=1.81 t=45500.0ps kin=1.43 pot=21.47 Rg=28.561 SPS=1579
bl=4451 pos[1]=[31.1 4.0 -27.3] dr=1.92 t=45510.0ps kin=1.53 pot=21.51 Rg=28.505 SPS=1519
bl=4452 pos[1]=[28.9 4.2 -27.3] dr=1.95 t=45520.0ps kin=1.55 pot=21.55 Rg=28.464 SPS=1613
bl=4453 pos[1]=[29.9 2.5 -28.9] dr=1.92 t=45530.0ps kin=1.50 pot=21.51 Rg=28.214 SPS=1588
bl=4454 pos[1]=[29.3 1.6 -29.7] dr=1.90 t=45540.0ps kin=1.52 pot=21.53 Rg=28.111 SPS=1625
bl=4455 pos[1]=[30.6 0.9 -28.8] dr=1.92 t=45550.0ps kin=1.51 pot=21.49 Rg=28.074 SPS=1610
bl=4456 pos[1]=[33.2 2.2 -28.3] dr=1.96 t=45560.0ps kin=1.43 pot=21.47 Rg=27.994 SPS=1586
bl=4457 pos[1]=[33.8 2.5 -26.8] dr=1.92 t=45570.0ps kin=1.48 pot=21.48 Rg=27.793 SPS=1495
bl=4458 pos[1]=[34.2 3.1 -26.1] dr=1.94 t=45580.0ps kin=1.47 pot=21.53 Rg=27.618 SPS=1621
bl=4459 pos[1]=[31.5 5.9 -26.4] dr=1.92 t=45590.0ps kin=1.47 pot=21.51 Rg=27.549 SPS=1622
bl=4460 pos[1]=[30.1 2.7 -26.1] dr=1.90 t=45600.0ps kin=1.58 pot=21.50 Rg=27.505 SPS=1637
bl=4461 pos[1]=[27.3 3.9 -26.9] dr=1.99 t=45610.0ps kin=1.52 pot=21.53 Rg=27.464 SPS=1532
bl=4462 pos[1]=[24.2 4.2 -25.5] dr=1.94 t=45620.0ps kin=1.45 pot=21.55 Rg=27.446 SPS=1530
bl=4463 pos[1]=[22.0 3.9 -26.7] dr=1.96 t=45630.0ps kin=1.48 pot=21.48 Rg=27.415 SPS=1389
bl=4464 pos[1]=[20.3 5.9 -25.0] dr=1.94 t=45640.0ps kin=1.48 pot=21.53 Rg=27.271 SPS=1652
bl=4465 pos[1]=[21.7 4.2 -24.3] dr=1.89 t=45650.0ps kin=1.46 pot=21.50 Rg=27.133 SPS=1664
bl=4466 pos[1]=[24.6 4.7 -23.8] dr=1.94 t=45660.0ps kin=1.44 pot=21.51 Rg=27.198 SPS=1614
bl=4467 pos[1]=[23.2 7.0 -22.7] dr=1.88 t=45670.0ps kin=1.47 pot=21.47 Rg=27.314 SPS=1629
bl=4468 pos[1]=[24.1 9.1 -22.4] dr=1.93 t=45680.0ps kin=1.46 pot=21.42 Rg=27.360 SPS=1628
bl=4469 pos[1]=[25.0 9.4 -25.4] dr=1.91 t=45690.0ps kin=1.48 pot=21.50 Rg=27.339 SPS=1558
bl=4470 pos[1]=[25.1 11.2 -27.6] dr=2.02 t=45700.0ps kin=1.51 pot=21.52 Rg=27.402 SPS=1619
bl=4471 pos[1]=[23.9 12.1 -26.8] dr=1.91 t=45710.0ps kin=1.48 pot=21.56 Rg=27.395 SPS=1647
bl=4472 pos[1]=[22.8 11.6 -29.8] dr=1.83 t=45720.0ps kin=1.51 pot=21.50 Rg=27.511 SPS=1588
bl=4473 pos[1]=[25.6 11.3 -30.3] dr=1.91 t=45730.0ps kin=1.50 pot=21.53 Rg=27.525 SPS=1630
bl=4474 pos[1]=[24.4 10.3 -33.7] dr=1.91 t=45740.0ps kin=1.49 pot=21.50 Rg=27.484 SPS=1609
bl=4475 pos[1]=[25.4 8.7 -32.6] dr=1.92 t=45750.0ps kin=1.47 pot=21.53 Rg=27.458 SPS=1549
bl=4476 pos[1]=[26.6 6.6 -34.0] dr=1.95 t=45760.0ps kin=1.53 pot=21.49 Rg=27.423 SPS=1580
bl=4477 pos[1]=[27.4 4.3 -35.0] dr=1.90 t=45770.0ps kin=1.46 pot=21.53 Rg=27.343 SPS=1511
bl=4478 pos[1]=[29.9 4.7 -32.5] dr=1.89 t=45780.0ps kin=1.51 pot=21.55 Rg=27.356 SPS=1583
bl=4479 pos[1]=[28.4 4.7 -32.3] dr=1.96 t=45790.0ps kin=1.43 pot=21.50 Rg=27.322 SPS=1501
bl=4480 pos[1]=[27.0 8.4 -30.1] dr=1.90 t=45800.0ps kin=1.48 pot=21.50 Rg=27.339 SPS=1612
bl=4481 pos[1]=[27.7 8.9 -28.5] dr=1.87 t=45810.0ps kin=1.49 pot=21.56 Rg=27.406 SPS=1657
bl=4482 pos[1]=[29.0 7.1 -27.2] dr=1.90 t=45820.0ps kin=1.50 pot=21.50 Rg=27.537 SPS=1641
bl=4483 pos[1]=[30.0 5.6 -27.0] dr=1.87 t=45830.0ps kin=1.50 pot=21.48 Rg=27.484 SPS=1596
bl=4484 pos[1]=[30.3 3.8 -31.2] dr=1.90 t=45840.0ps kin=1.45 pot=21.53 Rg=27.458 SPS=1661
bl=4485 pos[1]=[29.7 4.3 -31.7] dr=1.94 t=45850.0ps kin=1.50 pot=21.50 Rg=27.421 SPS=1638
bl=4486 pos[1]=[32.2 0.7 -32.8] dr=1.93 t=45860.0ps kin=1.52 pot=21.50 Rg=27.374 SPS=1654
bl=4487 pos[1]=[34.2 1.4 -31.9] dr=1.87 t=45870.0ps kin=1.47 pot=21.50 Rg=27.454 SPS=1653
bl=4488 pos[1]=[35.1 5.5 -30.5] dr=1.88 t=45880.0ps kin=1.53 pot=21.51 Rg=27.577 SPS=1601
bl=4489 pos[1]=[34.0 3.2 -30.4] dr=1.94 t=45890.0ps kin=1.49 pot=21.49 Rg=27.607 SPS=1651
bl=4490 pos[1]=[33.3 5.3 -33.3] dr=1.94 t=45900.0ps kin=1.49 pot=21.50 Rg=27.676 SPS=1627
bl=4491 pos[1]=[32.6 7.7 -32.3] dr=1.94 t=45910.0ps kin=1.55 pot=21.46 Rg=27.740 SPS=1641
bl=4492 pos[1]=[34.4 7.4 -34.9] dr=1.92 t=45920.0ps kin=1.51 pot=21.48 Rg=27.735 SPS=1658
bl=4493 pos[1]=[36.5 6.3 -35.3] dr=1.97 t=45930.0ps kin=1.46 pot=21.55 Rg=27.737 SPS=1631
bl=4494 pos[1]=[37.4 5.2 -35.6] dr=1.95 t=45940.0ps kin=1.54 pot=21.51 Rg=27.800 SPS=1634
bl=4495 pos[1]=[37.2 8.0 -35.6] dr=1.90 t=45950.0ps kin=1.50 pot=21.56 Rg=27.813 SPS=1625
bl=4496 pos[1]=[35.7 9.8 -36.7] dr=1.91 t=45960.0ps kin=1.52 pot=21.53 Rg=27.774 SPS=1608
bl=4497 pos[1]=[32.3 7.3 -37.9] dr=1.99 t=45970.0ps kin=1.53 pot=21.49 Rg=27.768 SPS=1619
bl=4498 pos[1]=[32.0 6.5 -35.8] dr=1.90 t=45980.0ps kin=1.48 pot=21.52 Rg=27.738 SPS=1661
bl=4499 pos[1]=[33.5 6.0 -33.4] dr=1.91 t=45990.0ps kin=1.57 pot=21.54 Rg=27.779 SPS=1626
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.51918463 3.09980657 -3.56190877] Rg = 27.778664
median bond size is 0.9682145495049678
three shortest/longest (<10)/ bonds are [0.88289325 0.89121673 0.89211329] [1.09069796 1.10910216 1.12588607]
95 percentile of distance to center is: 39.956745532656456
density of closest 95% monomers is: 0.004820858251953384
density of the core monomers is: 0.018101904371873898
min/median/mean/max coordinates are:
x: -23.25, 10.00, 11.52, 46.51
y: -38.90, 2.95, 3.10, 32.47
z: -33.39, -1.69, -3.56, 20.97
Statistics for velocities:
mean kinetic energy is: 1.5770960182632678 should be: 1.5
fastest particles are (in kT): [ 7.39935711 7.90244032 8.657328 9.16594354 12.3081645 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.540998340707965
bl=4500 pos[1]=[35.5 7.4 -32.3] dr=1.95 t=46000.0ps kin=1.49 pot=21.51 Rg=27.858 SPS=1439
bl=4501 pos[1]=[35.8 5.1 -29.5] dr=1.94 t=46010.0ps kin=1.52 pot=21.49 Rg=28.020 SPS=1556
bl=4502 pos[1]=[37.1 3.1 -29.6] dr=2.00 t=46020.0ps kin=1.47 pot=21.46 Rg=28.141 SPS=1551
bl=4503 pos[1]=[35.7 3.5 -29.5] dr=1.93 t=46030.0ps kin=1.48 pot=21.53 Rg=28.132 SPS=1639
bl=4504 pos[1]=[34.8 -1.1 -27.4] dr=1.87 t=46040.0ps kin=1.43 pot=21.52 Rg=28.057 SPS=1638
bl=4505 pos[1]=[33.2 -1.6 -24.6] dr=1.88 t=46050.0ps kin=1.45 pot=21.51 Rg=27.929 SPS=1604
bl=4506 pos[1]=[31.1 1.2 -26.5] dr=1.92 t=46060.0ps kin=1.47 pot=21.48 Rg=27.789 SPS=1658
bl=4507 pos[1]=[31.8 0.7 -31.4] dr=1.88 t=46070.0ps kin=1.47 pot=21.49 Rg=27.778 SPS=1662
bl=4508 pos[1]=[29.8 0.7 -30.0] dr=1.92 t=46080.0ps kin=1.52 pot=21.51 Rg=27.830 SPS=1643
bl=4509 pos[1]=[31.1 1.6 -27.7] dr=1.93 t=46090.0ps kin=1.50 pot=21.47 Rg=27.889 SPS=1611
bl=4510 pos[1]=[32.0 0.8 -27.9] dr=1.90 t=46100.0ps kin=1.52 pot=21.52 Rg=27.930 SPS=1605
bl=4511 pos[1]=[33.9 0.9 -29.5] dr=1.90 t=46110.0ps kin=1.51 pot=21.50 Rg=28.054 SPS=1651
bl=4512 pos[1]=[33.9 3.7 -30.7] dr=1.99 t=46120.0ps kin=1.54 pot=21.52 Rg=28.098 SPS=1606
bl=4513 pos[1]=[33.7 2.6 -32.8] dr=1.92 t=46130.0ps kin=1.47 pot=21.51 Rg=28.072 SPS=1624
bl=4514 pos[1]=[34.6 2.2 -31.8] dr=1.97 t=46140.0ps kin=1.48 pot=21.53 Rg=28.091 SPS=1615
bl=4515 pos[1]=[35.2 -0.4 -31.1] dr=1.92 t=46150.0ps kin=1.48 pot=21.54 Rg=28.051 SPS=1620
bl=4516 pos[1]=[33.1 1.4 -30.1] dr=1.86 t=46160.0ps kin=1.55 pot=21.48 Rg=27.930 SPS=1619
bl=4517 pos[1]=[31.9 2.9 -29.0] dr=1.88 t=46170.0ps kin=1.54 pot=21.57 Rg=27.811 SPS=1631
bl=4518 pos[1]=[31.4 4.0 -31.2] dr=1.89 t=46180.0ps kin=1.49 pot=21.56 Rg=27.794 SPS=1509
bl=4519 pos[1]=[27.1 4.3 -32.4] dr=1.90 t=46190.0ps kin=1.50 pot=21.50 Rg=27.899 SPS=1677
bl=4520 pos[1]=[23.6 4.5 -32.8] dr=1.87 t=46200.0ps kin=1.44 pot=21.53 Rg=27.878 SPS=1711
bl=4521 pos[1]=[24.2 3.8 -32.1] dr=1.93 t=46210.0ps kin=1.54 pot=21.51 Rg=27.985 SPS=1652
bl=4522 pos[1]=[26.0 5.8 -30.6] dr=1.89 t=46220.0ps kin=1.48 pot=21.54 Rg=28.144 SPS=1648
bl=4523 pos[1]=[25.6 5.0 -30.3] dr=1.90 t=46230.0ps kin=1.50 pot=21.57 Rg=28.160 SPS=1654
bl=4524 pos[1]=[24.5 6.2 -32.8] dr=1.88 t=46240.0ps kin=1.48 pot=21.54 Rg=28.108 SPS=1652
bl=4525 pos[1]=[25.9 9.3 -32.7] dr=1.87 t=46250.0ps kin=1.49 pot=21.52 Rg=28.154 SPS=1561
bl=4526 pos[1]=[28.8 9.9 -35.2] dr=1.90 t=46260.0ps kin=1.51 pot=21.47 Rg=28.242 SPS=1593
bl=4527 pos[1]=[28.7 7.0 -36.6] dr=1.89 t=46270.0ps kin=1.51 pot=21.48 Rg=28.287 SPS=1665
bl=4528 pos[1]=[26.2 7.8 -35.7] dr=1.90 t=46280.0ps kin=1.52 pot=21.49 Rg=28.233 SPS=1601
bl=4529 pos[1]=[27.6 9.0 -37.1] dr=1.90 t=46290.0ps kin=1.47 pot=21.51 Rg=28.122 SPS=1647
bl=4530 pos[1]=[27.8 10.3 -37.9] dr=1.90 t=46300.0ps kin=1.55 pot=21.46 Rg=28.073 SPS=1636
bl=4531 pos[1]=[26.8 11.4 -38.4] dr=1.99 t=46310.0ps kin=1.50 pot=21.54 Rg=28.096 SPS=1607
bl=4532 pos[1]=[27.6 11.2 -39.0] dr=1.97 t=46320.0ps kin=1.50 pot=21.52 Rg=28.155 SPS=1687
bl=4533 pos[1]=[24.8 10.4 -39.1] dr=1.89 t=46330.0ps kin=1.50 pot=21.52 Rg=28.229 SPS=1624
bl=4534 pos[1]=[27.6 7.9 -41.2] dr=1.95 t=46340.0ps kin=1.53 pot=21.52 Rg=28.227 SPS=1547
bl=4535 pos[1]=[29.2 7.1 -39.5] dr=1.88 t=46350.0ps kin=1.49 pot=21.52 Rg=28.289 SPS=1640
bl=4536 pos[1]=[30.1 6.5 -37.4] dr=1.88 t=46360.0ps kin=1.50 pot=21.50 Rg=28.441 SPS=1683
bl=4537 pos[1]=[29.4 4.9 -36.9] dr=1.95 t=46370.0ps kin=1.51 pot=21.50 Rg=28.452 SPS=1712
bl=4538 pos[1]=[29.8 3.8 -35.4] dr=1.91 t=46380.0ps kin=1.51 pot=21.53 Rg=28.470 SPS=1675
bl=4539 pos[1]=[29.9 2.7 -35.4] dr=1.95 t=46390.0ps kin=1.58 pot=21.48 Rg=28.524 SPS=1700
bl=4540 pos[1]=[27.4 3.5 -37.1] dr=1.91 t=46400.0ps kin=1.50 pot=21.52 Rg=28.540 SPS=1686
bl=4541 pos[1]=[27.1 5.9 -35.0] dr=1.91 t=46410.0ps kin=1.47 pot=21.48 Rg=28.599 SPS=1676
bl=4542 pos[1]=[25.4 8.9 -35.6] dr=1.99 t=46420.0ps kin=1.52 pot=21.48 Rg=28.614 SPS=1665
bl=4543 pos[1]=[25.1 8.6 -34.0] dr=1.92 t=46430.0ps kin=1.44 pot=21.47 Rg=28.682 SPS=1711
bl=4544 pos[1]=[25.1 7.3 -31.7] dr=1.87 t=46440.0ps kin=1.48 pot=21.49 Rg=28.698 SPS=1703
bl=4545 pos[1]=[24.9 8.8 -34.4] dr=1.92 t=46450.0ps kin=1.55 pot=21.50 Rg=28.716 SPS=1678
bl=4546 pos[1]=[25.3 9.7 -36.5] dr=2.00 t=46460.0ps kin=1.48 pot=21.50 Rg=28.788 SPS=1688
bl=4547 pos[1]=[26.6 7.6 -36.8] dr=1.95 t=46470.0ps kin=1.46 pot=21.55 Rg=28.917 SPS=1581
bl=4548 pos[1]=[26.2 7.4 -34.8] dr=1.92 t=46480.0ps kin=1.53 pot=21.50 Rg=28.974 SPS=1675
bl=4549 pos[1]=[24.7 5.5 -31.9] dr=1.91 t=46490.0ps kin=1.50 pot=21.53 Rg=29.019 SPS=1648
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.90609397 3.3104576 -3.67305999] Rg = 29.019373
median bond size is 0.9701193415665845
three shortest/longest (<10)/ bonds are [0.87810877 0.88154319 0.89022466] [1.08316494 1.08645263 1.09582499]
95 percentile of distance to center is: 41.47940652943381
density of closest 95% monomers is: 0.0043092042883069006
density of the core monomers is: 0.041837083181126465
min/median/mean/max coordinates are:
x: -21.12, 13.42, 10.91, 44.35
y: -44.46, 5.16, 3.31, 30.06
z: -40.40, -0.65, -3.67, 26.33
Statistics for velocities:
mean kinetic energy is: 1.4973409620663614 should be: 1.5
fastest particles are (in kT): [6.98831383 7.15486627 7.43155114 7.58943961 7.69463669]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.52794005807522
bl=4550 pos[1]=[25.6 6.4 -31.5] dr=1.88 t=46500.0ps kin=1.54 pot=21.48 Rg=29.057 SPS=1634
bl=4551 pos[1]=[24.8 9.2 -35.7] dr=1.93 t=46510.0ps kin=1.50 pot=21.49 Rg=29.039 SPS=1615
bl=4552 pos[1]=[23.5 11.4 -35.8] dr=1.99 t=46520.0ps kin=1.48 pot=21.50 Rg=29.066 SPS=1661
bl=4553 pos[1]=[23.8 9.5 -36.0] dr=1.92 t=46530.0ps kin=1.47 pot=21.50 Rg=28.946 SPS=1661
bl=4554 pos[1]=[22.8 10.2 -35.1] dr=1.94 t=46540.0ps kin=1.53 pot=21.51 Rg=28.846 SPS=1669
bl=4555 pos[1]=[23.9 8.9 -35.1] dr=1.99 t=46550.0ps kin=1.51 pot=21.55 Rg=28.780 SPS=1698
bl=4556 pos[1]=[22.3 6.9 -33.6] dr=1.97 t=46560.0ps kin=1.50 pot=21.56 Rg=28.703 SPS=1605
bl=4557 pos[1]=[19.9 5.4 -33.3] dr=1.93 t=46570.0ps kin=1.49 pot=21.53 Rg=28.713 SPS=1637
bl=4558 pos[1]=[16.8 7.1 -32.1] dr=1.93 t=46580.0ps kin=1.58 pot=21.50 Rg=28.763 SPS=1595
bl=4559 pos[1]=[18.0 9.8 -32.4] dr=1.93 t=46590.0ps kin=1.51 pot=21.54 Rg=28.870 SPS=1577
bl=4560 pos[1]=[18.9 12.9 -35.6] dr=1.97 t=46600.0ps kin=1.51 pot=21.50 Rg=28.938 SPS=1581
bl=4561 pos[1]=[17.9 13.8 -35.8] dr=1.89 t=46610.0ps kin=1.51 pot=21.52 Rg=29.023 SPS=1597
bl=4562 pos[1]=[18.0 10.5 -34.9] dr=1.89 t=46620.0ps kin=1.48 pot=21.48 Rg=29.023 SPS=1600
bl=4563 pos[1]=[16.7 10.8 -36.9] dr=1.93 t=46630.0ps kin=1.50 pot=21.47 Rg=29.032 SPS=1588
bl=4564 pos[1]=[16.2 12.1 -37.8] dr=1.94 t=46640.0ps kin=1.47 pot=21.57 Rg=28.979 SPS=1611
bl=4565 pos[1]=[19.0 12.7 -35.7] dr=1.90 t=46650.0ps kin=1.50 pot=21.50 Rg=28.947 SPS=1636
bl=4566 pos[1]=[20.6 13.4 -34.4] dr=1.84 t=46660.0ps kin=1.52 pot=21.48 Rg=28.921 SPS=1637
bl=4567 pos[1]=[20.4 12.5 -38.2] dr=1.93 t=46670.0ps kin=1.45 pot=21.51 Rg=28.912 SPS=1670
bl=4568 pos[1]=[18.8 9.6 -41.0] dr=1.95 t=46680.0ps kin=1.46 pot=21.48 Rg=28.899 SPS=1628
bl=4569 pos[1]=[20.0 10.6 -44.1] dr=1.88 t=46690.0ps kin=1.41 pot=21.47 Rg=28.830 SPS=1631
bl=4570 pos[1]=[22.4 10.7 -45.2] dr=1.90 t=46700.0ps kin=1.50 pot=21.51 Rg=28.801 SPS=1511
bl=4571 pos[1]=[21.2 8.8 -46.0] dr=1.97 t=46710.0ps kin=1.48 pot=21.52 Rg=28.787 SPS=1623
bl=4572 pos[1]=[21.7 7.3 -44.6] dr=1.91 t=46720.0ps kin=1.50 pot=21.53 Rg=28.742 SPS=1656
bl=4573 pos[1]=[22.0 8.8 -43.2] dr=1.89 t=46730.0ps kin=1.50 pot=21.54 Rg=28.735 SPS=1680
bl=4574 pos[1]=[20.2 9.1 -43.4] dr=1.99 t=46740.0ps kin=1.51 pot=21.48 Rg=28.760 SPS=1638
bl=4575 pos[1]=[21.4 9.0 -42.5] dr=1.87 t=46750.0ps kin=1.53 pot=21.52 Rg=28.735 SPS=1643
bl=4576 pos[1]=[22.1 8.7 -40.9] dr=1.95 t=46760.0ps kin=1.52 pot=21.52 Rg=28.624 SPS=1642
bl=4577 pos[1]=[18.8 10.0 -39.4] dr=1.87 t=46770.0ps kin=1.44 pot=21.54 Rg=28.659 SPS=1688
bl=4578 pos[1]=[19.8 9.5 -39.7] dr=1.87 t=46780.0ps kin=1.46 pot=21.52 Rg=28.625 SPS=1636
bl=4579 pos[1]=[23.7 12.4 -40.1] dr=1.91 t=46790.0ps kin=1.51 pot=21.56 Rg=28.615 SPS=1670
bl=4580 pos[1]=[22.6 9.9 -38.5] dr=1.92 t=46800.0ps kin=1.48 pot=21.51 Rg=28.717 SPS=1694
bl=4581 pos[1]=[20.6 10.3 -41.0] dr=1.96 t=46810.0ps kin=1.51 pot=21.52 Rg=28.789 SPS=1588
bl=4582 pos[1]=[19.5 11.3 -40.6] dr=1.96 t=46820.0ps kin=1.50 pot=21.52 Rg=28.775 SPS=1661
bl=4583 pos[1]=[23.1 9.4 -41.0] dr=1.90 t=46830.0ps kin=1.42 pot=21.57 Rg=28.786 SPS=1613
bl=4584 pos[1]=[26.3 11.6 -41.8] dr=1.94 t=46840.0ps kin=1.50 pot=21.53 Rg=28.817 SPS=1638
bl=4585 pos[1]=[24.0 11.3 -41.8] dr=1.96 t=46850.0ps kin=1.54 pot=21.57 Rg=28.827 SPS=1611
bl=4586 pos[1]=[21.7 8.5 -40.5] dr=1.88 t=46860.0ps kin=1.49 pot=21.56 Rg=28.793 SPS=1603
bl=4587 pos[1]=[22.4 8.9 -40.4] dr=1.93 t=46870.0ps kin=1.51 pot=21.50 Rg=28.821 SPS=1614
bl=4588 pos[1]=[21.7 8.5 -39.0] dr=1.93 t=46880.0ps kin=1.52 pot=21.55 Rg=28.934 SPS=1608
bl=4589 pos[1]=[23.2 6.5 -39.5] dr=1.88 t=46890.0ps kin=1.51 pot=21.56 Rg=29.005 SPS=1586
bl=4590 pos[1]=[21.2 6.3 -39.4] dr=1.85 t=46900.0ps kin=1.52 pot=21.57 Rg=29.020 SPS=1625
bl=4591 pos[1]=[19.4 6.9 -37.6] dr=1.86 t=46910.0ps kin=1.49 pot=21.52 Rg=29.038 SPS=1632
bl=4592 pos[1]=[22.7 8.5 -35.9] dr=1.92 t=46920.0ps kin=1.53 pot=21.53 Rg=29.072 SPS=1615
bl=4593 pos[1]=[21.7 11.5 -38.4] dr=1.89 t=46930.0ps kin=1.50 pot=21.56 Rg=29.094 SPS=1548
bl=4594 pos[1]=[24.6 12.1 -40.6] dr=1.90 t=46940.0ps kin=1.51 pot=21.53 Rg=29.111 SPS=1620
bl=4595 pos[1]=[25.4 9.6 -43.6] dr=1.89 t=46950.0ps kin=1.49 pot=21.52 Rg=29.118 SPS=1575
bl=4596 pos[1]=[24.5 10.8 -42.8] dr=1.91 t=46960.0ps kin=1.50 pot=21.51 Rg=29.196 SPS=1619
bl=4597 pos[1]=[26.8 9.2 -45.0] dr=1.92 t=46970.0ps kin=1.50 pot=21.51 Rg=29.226 SPS=1614
bl=4598 pos[1]=[24.9 7.3 -43.7] dr=2.02 t=46980.0ps kin=1.50 pot=21.52 Rg=29.219 SPS=1630
bl=4599 pos[1]=[23.3 10.0 -42.2] dr=2.00 t=46990.0ps kin=1.52 pot=21.56 Rg=29.212 SPS=1615
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.84959997 3.22996019 -3.99613055] Rg = 29.21235
median bond size is 0.9690389339500691
three shortest/longest (<10)/ bonds are [0.87989526 0.88618011 0.88687876] [1.10074093 1.10173753 1.18701905]
95 percentile of distance to center is: 43.452877615688614
density of closest 95% monomers is: 0.003748340698320132
density of the core monomers is: 0.029599039533606302
min/median/mean/max coordinates are:
x: -26.20, 14.55, 11.85, 48.39
y: -45.71, 5.94, 3.23, 29.98
z: -44.40, -0.75, -4.00, 25.70
Statistics for velocities:
mean kinetic energy is: 1.5190667033624936 should be: 1.5
fastest particles are (in kT): [6.91961034 6.95282135 7.04325277 8.71365583 9.03612596]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.563604754332594
bl=4600 pos[1]=[23.4 10.1 -42.8] dr=1.96 t=47000.0ps kin=1.51 pot=21.51 Rg=29.187 SPS=1629
bl=4601 pos[1]=[21.4 11.0 -43.2] dr=1.94 t=47010.0ps kin=1.47 pot=21.52 Rg=29.294 SPS=1649
bl=4602 pos[1]=[19.1 9.1 -42.8] dr=1.87 t=47020.0ps kin=1.51 pot=21.50 Rg=29.308 SPS=1584
bl=4603 pos[1]=[19.3 11.8 -43.7] dr=1.88 t=47030.0ps kin=1.49 pot=21.52 Rg=29.210 SPS=1069
bl=4604 pos[1]=[18.8 11.4 -43.5] dr=1.91 t=47040.0ps kin=1.48 pot=21.50 Rg=29.092 SPS=1651
bl=4605 pos[1]=[18.2 11.3 -43.8] dr=1.94 t=47050.0ps kin=1.51 pot=21.49 Rg=29.017 SPS=1653
bl=4606 pos[1]=[16.4 13.3 -43.7] dr=1.94 t=47060.0ps kin=1.50 pot=21.44 Rg=28.958 SPS=1667
bl=4607 pos[1]=[14.7 14.1 -44.3] dr=1.85 t=47070.0ps kin=1.50 pot=21.45 Rg=28.932 SPS=1622
bl=4608 pos[1]=[12.5 13.1 -45.8] dr=1.87 t=47080.0ps kin=1.56 pot=21.50 Rg=28.969 SPS=1631
bl=4609 pos[1]=[15.8 13.9 -44.6] dr=1.94 t=47090.0ps kin=1.54 pot=21.53 Rg=29.076 SPS=1629
bl=4610 pos[1]=[16.4 13.2 -42.3] dr=1.90 t=47100.0ps kin=1.49 pot=21.54 Rg=29.203 SPS=1587
bl=4611 pos[1]=[16.5 12.9 -44.3] dr=1.87 t=47110.0ps kin=1.50 pot=21.54 Rg=29.275 SPS=1644
bl=4612 pos[1]=[13.8 12.5 -42.1] dr=1.96 t=47120.0ps kin=1.53 pot=21.51 Rg=29.380 SPS=1625
bl=4613 pos[1]=[14.8 12.2 -44.8] dr=2.05 t=47130.0ps kin=1.52 pot=21.53 Rg=29.499 SPS=1608
bl=4614 pos[1]=[15.6 13.7 -46.4] dr=1.93 t=47140.0ps kin=1.51 pot=21.52 Rg=29.501 SPS=1756
bl=4615 pos[1]=[13.6 15.5 -47.3] dr=1.92 t=47150.0ps kin=1.58 pot=21.47 Rg=29.461 SPS=1628
bl=4616 pos[1]=[14.4 14.8 -48.1] dr=1.94 t=47160.0ps kin=1.47 pot=21.47 Rg=29.404 SPS=1754
bl=4617 pos[1]=[12.8 15.2 -46.3] dr=1.92 t=47170.0ps kin=1.44 pot=21.49 Rg=29.288 SPS=1684
bl=4618 pos[1]=[12.7 15.7 -47.0] dr=1.89 t=47180.0ps kin=1.51 pot=21.48 Rg=29.203 SPS=1714
bl=4619 pos[1]=[14.7 18.1 -44.2] dr=1.93 t=47190.0ps kin=1.48 pot=21.51 Rg=29.057 SPS=1742
bl=4620 pos[1]=[14.1 17.4 -43.2] dr=1.95 t=47200.0ps kin=1.52 pot=21.52 Rg=29.058 SPS=1756
bl=4621 pos[1]=[14.1 15.3 -42.9] dr=1.90 t=47210.0ps kin=1.50 pot=21.53 Rg=29.097 SPS=1673
bl=4622 pos[1]=[12.7 16.2 -44.0] dr=1.89 t=47220.0ps kin=1.50 pot=21.50 Rg=29.201 SPS=1625
bl=4623 pos[1]=[15.1 16.9 -47.2] dr=1.87 t=47230.0ps kin=1.49 pot=21.48 Rg=29.164 SPS=1610
bl=4624 pos[1]=[18.6 13.9 -47.9] dr=1.89 t=47240.0ps kin=1.49 pot=21.46 Rg=29.055 SPS=1680
bl=4625 pos[1]=[18.1 13.4 -48.9] dr=1.91 t=47250.0ps kin=1.48 pot=21.52 Rg=29.060 SPS=1692
bl=4626 pos[1]=[18.1 14.6 -47.5] dr=1.93 t=47260.0ps kin=1.51 pot=21.48 Rg=29.025 SPS=1643
bl=4627 pos[1]=[17.9 17.3 -42.2] dr=1.92 t=47270.0ps kin=1.49 pot=21.51 Rg=28.974 SPS=1612
bl=4628 pos[1]=[19.8 17.1 -41.5] dr=1.94 t=47280.0ps kin=1.50 pot=21.53 Rg=29.078 SPS=1677
bl=4629 pos[1]=[21.9 17.7 -41.8] dr=1.87 t=47290.0ps kin=1.51 pot=21.52 Rg=29.160 SPS=1650
bl=4630 pos[1]=[20.8 19.0 -42.2] dr=1.88 t=47300.0ps kin=1.57 pot=21.53 Rg=29.213 SPS=1652
bl=4631 pos[1]=[19.6 20.4 -43.9] dr=1.98 t=47310.0ps kin=1.47 pot=21.58 Rg=29.340 SPS=1638
bl=4632 pos[1]=[17.3 19.3 -45.3] dr=1.96 t=47320.0ps kin=1.55 pot=21.50 Rg=29.415 SPS=1604
bl=4633 pos[1]=[17.5 16.9 -44.9] dr=1.96 t=47330.0ps kin=1.55 pot=21.49 Rg=29.414 SPS=1599
bl=4634 pos[1]=[17.3 16.4 -44.1] dr=1.85 t=47340.0ps kin=1.47 pot=21.54 Rg=29.424 SPS=1622
bl=4635 pos[1]=[16.1 18.3 -43.4] dr=1.95 t=47350.0ps kin=1.47 pot=21.56 Rg=29.382 SPS=1595
bl=4636 pos[1]=[16.6 16.5 -43.0] dr=1.96 t=47360.0ps kin=1.52 pot=21.49 Rg=29.285 SPS=1621
bl=4637 pos[1]=[19.4 17.2 -45.0] dr=2.01 t=47370.0ps kin=1.53 pot=21.48 Rg=29.349 SPS=1649
bl=4638 pos[1]=[19.9 14.8 -46.2] dr=1.97 t=47380.0ps kin=1.47 pot=21.47 Rg=29.403 SPS=1621
bl=4639 pos[1]=[18.6 13.3 -43.9] dr=1.94 t=47390.0ps kin=1.47 pot=21.55 Rg=29.295 SPS=1627
bl=4640 pos[1]=[18.7 14.4 -42.1] dr=1.93 t=47400.0ps kin=1.52 pot=21.52 Rg=29.274 SPS=1627
bl=4641 pos[1]=[19.7 13.5 -41.5] dr=1.92 t=47410.0ps kin=1.44 pot=21.52 Rg=29.296 SPS=1482
bl=4642 pos[1]=[20.4 12.6 -45.0] dr=1.99 t=47420.0ps kin=1.54 pot=21.49 Rg=29.335 SPS=1654
bl=4643 pos[1]=[20.9 16.3 -43.7] dr=2.01 t=47430.0ps kin=1.54 pot=21.49 Rg=29.393 SPS=1658
bl=4644 pos[1]=[20.8 16.9 -41.9] dr=1.97 t=47440.0ps kin=1.52 pot=21.52 Rg=29.452 SPS=1611
bl=4645 pos[1]=[19.9 16.7 -44.1] dr=1.97 t=47450.0ps kin=1.54 pot=21.50 Rg=29.497 SPS=1583
bl=4646 pos[1]=[20.1 16.2 -45.5] dr=1.92 t=47460.0ps kin=1.52 pot=21.49 Rg=29.591 SPS=1630
bl=4647 pos[1]=[17.7 15.6 -47.7] dr=1.90 t=47470.0ps kin=1.46 pot=21.49 Rg=29.725 SPS=1613
bl=4648 pos[1]=[17.0 15.7 -47.9] dr=1.94 t=47480.0ps kin=1.48 pot=21.53 Rg=29.826 SPS=1628
bl=4649 pos[1]=[16.7 14.7 -48.8] dr=1.99 t=47490.0ps kin=1.50 pot=21.49 Rg=29.932 SPS=1635
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.21520639 3.26706628 -5.0769365 ] Rg = 29.93164
median bond size is 0.9695631789330669
three shortest/longest (<10)/ bonds are [0.88313887 0.88796389 0.8887223 ] [1.10346282 1.10623836 1.12570435]
95 percentile of distance to center is: 47.199665380597224
density of closest 95% monomers is: 0.0029246771112580584
density of the core monomers is: 0.019760925411924937
min/median/mean/max coordinates are:
x: -26.98, 10.82, 11.22, 52.62
y: -45.48, 5.98, 3.27, 29.21
z: -48.96, -1.94, -5.08, 27.82
Statistics for velocities:
mean kinetic energy is: 1.5002876240247967 should be: 1.5
fastest particles are (in kT): [7.30656904 7.30790438 7.44857474 7.60296626 8.26586103]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.490657840154867
bl=4650 pos[1]=[18.7 13.0 -49.0] dr=1.93 t=47500.0ps kin=1.45 pot=21.50 Rg=30.003 SPS=1588
bl=4651 pos[1]=[19.7 13.5 -50.0] dr=1.87 t=47510.0ps kin=1.52 pot=21.50 Rg=29.982 SPS=1608
bl=4652 pos[1]=[21.8 10.7 -50.1] dr=1.87 t=47520.0ps kin=1.45 pot=21.51 Rg=30.020 SPS=1593
bl=4653 pos[1]=[23.7 10.4 -51.3] dr=1.98 t=47530.0ps kin=1.49 pot=21.45 Rg=30.105 SPS=1625
bl=4654 pos[1]=[19.9 12.9 -48.1] dr=1.87 t=47540.0ps kin=1.46 pot=21.50 Rg=30.153 SPS=1612
bl=4655 pos[1]=[19.8 15.6 -47.1] dr=1.92 t=47550.0ps kin=1.49 pot=21.54 Rg=30.065 SPS=1618
bl=4656 pos[1]=[18.7 14.4 -45.0] dr=1.94 t=47560.0ps kin=1.47 pot=21.49 Rg=30.071 SPS=1595
bl=4657 pos[1]=[22.5 13.4 -45.7] dr=1.94 t=47570.0ps kin=1.52 pot=21.51 Rg=30.199 SPS=1609
bl=4658 pos[1]=[22.5 13.9 -47.2] dr=1.92 t=47580.0ps kin=1.49 pot=21.53 Rg=30.237 SPS=1605
bl=4659 pos[1]=[23.1 14.4 -50.2] dr=1.89 t=47590.0ps kin=1.52 pot=21.49 Rg=30.237 SPS=1626
bl=4660 pos[1]=[22.0 14.1 -50.6] dr=1.93 t=47600.0ps kin=1.47 pot=21.51 Rg=30.128 SPS=1611
bl=4661 pos[1]=[21.3 14.5 -50.6] dr=1.85 t=47610.0ps kin=1.48 pot=21.52 Rg=30.127 SPS=1628
bl=4662 pos[1]=[21.8 16.3 -50.8] dr=1.94 t=47620.0ps kin=1.48 pot=21.55 Rg=30.125 SPS=1481
bl=4663 pos[1]=[23.5 16.8 -47.9] dr=1.90 t=47630.0ps kin=1.47 pot=21.51 Rg=30.079 SPS=1641
bl=4664 pos[1]=[22.3 18.0 -46.3] dr=1.87 t=47640.0ps kin=1.51 pot=21.53 Rg=29.950 SPS=1625
bl=4665 pos[1]=[24.6 19.0 -45.9] dr=1.88 t=47650.0ps kin=1.51 pot=21.51 Rg=29.822 SPS=1616
bl=4666 pos[1]=[22.9 18.3 -45.1] dr=1.94 t=47660.0ps kin=1.51 pot=21.59 Rg=29.825 SPS=1632
bl=4667 pos[1]=[23.5 19.8 -43.8] dr=1.95 t=47670.0ps kin=1.50 pot=21.54 Rg=29.885 SPS=1646
bl=4668 pos[1]=[20.3 20.1 -43.3] dr=1.94 t=47680.0ps kin=1.50 pot=21.52 Rg=29.827 SPS=1607
bl=4669 pos[1]=[18.8 21.2 -41.2] dr=1.96 t=47690.0ps kin=1.58 pot=21.53 Rg=29.718 SPS=1633
bl=4670 pos[1]=[21.3 21.4 -41.7] dr=1.97 t=47700.0ps kin=1.54 pot=21.51 Rg=29.731 SPS=1635
bl=4671 pos[1]=[21.9 22.3 -41.2] dr=1.84 t=47710.0ps kin=1.49 pot=21.52 Rg=29.814 SPS=1673
bl=4672 pos[1]=[21.3 21.0 -40.5] dr=1.87 t=47720.0ps kin=1.50 pot=21.52 Rg=29.819 SPS=1644
bl=4673 pos[1]=[21.4 22.3 -39.5] dr=1.90 t=47730.0ps kin=1.49 pot=21.51 Rg=29.883 SPS=1590
bl=4674 pos[1]=[22.6 21.7 -37.7] dr=1.95 t=47740.0ps kin=1.51 pot=21.53 Rg=30.000 SPS=1629
bl=4675 pos[1]=[19.7 20.9 -39.1] dr=1.96 t=47750.0ps kin=1.50 pot=21.52 Rg=30.069 SPS=1649
bl=4676 pos[1]=[18.5 20.2 -39.3] dr=1.83 t=47760.0ps kin=1.47 pot=21.54 Rg=30.106 SPS=1628
bl=4677 pos[1]=[19.3 19.3 -40.9] dr=1.92 t=47770.0ps kin=1.50 pot=21.47 Rg=30.149 SPS=1653
bl=4678 pos[1]=[19.4 21.3 -40.1] dr=1.90 t=47780.0ps kin=1.52 pot=21.50 Rg=30.167 SPS=1651
bl=4679 pos[1]=[19.1 19.5 -41.1] dr=1.95 t=47790.0ps kin=1.53 pot=21.49 Rg=30.140 SPS=1636
bl=4680 pos[1]=[21.2 20.2 -42.9] dr=1.99 t=47800.0ps kin=1.45 pot=21.47 Rg=30.131 SPS=1650
bl=4681 pos[1]=[19.9 24.0 -42.8] dr=1.92 t=47810.0ps kin=1.49 pot=21.52 Rg=30.207 SPS=1666
bl=4682 pos[1]=[20.5 26.3 -42.8] dr=1.96 t=47820.0ps kin=1.55 pot=21.49 Rg=30.360 SPS=1645
bl=4683 pos[1]=[21.2 27.0 -41.1] dr=1.97 t=47830.0ps kin=1.52 pot=21.54 Rg=30.474 SPS=1652
bl=4684 pos[1]=[22.5 23.9 -41.4] dr=1.92 t=47840.0ps kin=1.50 pot=21.55 Rg=30.504 SPS=1692
bl=4685 pos[1]=[20.2 22.7 -40.4] dr=1.92 t=47850.0ps kin=1.54 pot=21.52 Rg=30.622 SPS=1528
bl=4686 pos[1]=[19.3 26.8 -39.2] dr=1.99 t=47860.0ps kin=1.55 pot=21.55 Rg=30.633 SPS=1661
bl=4687 pos[1]=[18.7 27.9 -36.9] dr=1.96 t=47870.0ps kin=1.47 pot=21.54 Rg=30.562 SPS=1658
bl=4688 pos[1]=[18.8 28.4 -36.4] dr=1.91 t=47880.0ps kin=1.56 pot=21.53 Rg=30.534 SPS=1576
bl=4689 pos[1]=[18.8 29.0 -35.7] dr=1.92 t=47890.0ps kin=1.53 pot=21.53 Rg=30.572 SPS=1636
bl=4690 pos[1]=[17.9 30.1 -35.5] dr=1.91 t=47900.0ps kin=1.51 pot=21.54 Rg=30.549 SPS=1647
bl=4691 pos[1]=[18.1 32.5 -36.5] dr=1.94 t=47910.0ps kin=1.49 pot=21.54 Rg=30.462 SPS=1596
bl=4692 pos[1]=[18.2 30.7 -36.8] dr=1.91 t=47920.0ps kin=1.51 pot=21.51 Rg=30.282 SPS=1613
bl=4693 pos[1]=[19.8 32.0 -38.1] dr=1.87 t=47930.0ps kin=1.50 pot=21.50 Rg=30.205 SPS=1600
bl=4694 pos[1]=[19.1 36.1 -38.1] dr=2.02 t=47940.0ps kin=1.52 pot=21.51 Rg=30.110 SPS=1620
bl=4695 pos[1]=[18.1 34.6 -38.5] dr=1.89 t=47950.0ps kin=1.50 pot=21.54 Rg=30.074 SPS=1655
bl=4696 pos[1]=[17.1 31.7 -36.3] dr=1.86 t=47960.0ps kin=1.51 pot=21.53 Rg=30.176 SPS=1662
bl=4697 pos[1]=[17.2 31.9 -38.0] dr=1.92 t=47970.0ps kin=1.54 pot=21.58 Rg=30.247 SPS=1655
bl=4698 pos[1]=[16.4 31.5 -39.4] dr=1.90 t=47980.0ps kin=1.48 pot=21.53 Rg=30.333 SPS=1611
bl=4699 pos[1]=[17.1 32.4 -42.6] dr=1.92 t=47990.0ps kin=1.55 pot=21.46 Rg=30.417 SPS=1605
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [11.42384972 4.55586638 -4.851198 ] Rg = 30.416607
median bond size is 0.9664140149946852
three shortest/longest (<10)/ bonds are [0.87952461 0.88052225 0.88136225] [1.0752725 1.08761986 1.09510249]
95 percentile of distance to center is: 46.14647818622163
density of closest 95% monomers is: 0.00312952913663818
density of the core monomers is: 0.03731382788270211
min/median/mean/max coordinates are:
x: -24.38, 13.70, 11.42, 45.74
y: -44.05, 5.87, 4.56, 34.97
z: -42.60, -2.87, -4.85, 25.75
Statistics for velocities:
mean kinetic energy is: 1.5557584933548743 should be: 1.5
fastest particles are (in kT): [7.58345469 8.10156188 8.62895164 8.82096176 8.83145442]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.462847414269913
bl=4700 pos[1]=[16.9 33.0 -43.5] dr=1.95 t=48000.0ps kin=1.47 pot=21.52 Rg=30.506 SPS=1619
bl=4701 pos[1]=[17.4 30.8 -41.6] dr=1.97 t=48010.0ps kin=1.49 pot=21.51 Rg=30.495 SPS=1622
bl=4702 pos[1]=[17.3 30.8 -39.2] dr=1.95 t=48020.0ps kin=1.49 pot=21.49 Rg=30.464 SPS=1639
bl=4703 pos[1]=[18.6 26.0 -37.8] dr=1.92 t=48030.0ps kin=1.51 pot=21.49 Rg=30.488 SPS=1638
bl=4704 pos[1]=[18.8 25.7 -38.8] dr=1.91 t=48040.0ps kin=1.51 pot=21.51 Rg=30.512 SPS=1634
bl=4705 pos[1]=[19.5 26.8 -39.4] dr=1.97 t=48050.0ps kin=1.53 pot=21.53 Rg=30.496 SPS=1604
bl=4706 pos[1]=[19.9 28.1 -41.2] dr=1.97 t=48060.0ps kin=1.45 pot=21.50 Rg=30.551 SPS=1630
bl=4707 pos[1]=[23.3 26.9 -39.8] dr=1.98 t=48070.0ps kin=1.48 pot=21.54 Rg=30.519 SPS=1631
bl=4708 pos[1]=[23.1 28.0 -41.9] dr=1.94 t=48080.0ps kin=1.49 pot=21.58 Rg=30.384 SPS=1459
bl=4709 pos[1]=[22.8 29.2 -45.6] dr=1.91 t=48090.0ps kin=1.49 pot=21.55 Rg=30.251 SPS=1623
bl=4710 pos[1]=[22.1 27.4 -46.3] dr=1.90 t=48100.0ps kin=1.55 pot=21.54 Rg=30.302 SPS=1639
bl=4711 pos[1]=[21.9 25.6 -47.8] dr=1.90 t=48110.0ps kin=1.45 pot=21.55 Rg=30.221 SPS=1639
bl=4712 pos[1]=[21.1 29.4 -47.2] dr=1.85 t=48120.0ps kin=1.48 pot=21.48 Rg=30.197 SPS=1629
bl=4713 pos[1]=[19.4 30.3 -47.4] dr=1.99 t=48130.0ps kin=1.48 pot=21.47 Rg=30.144 SPS=1602
bl=4714 pos[1]=[19.9 32.2 -47.8] dr=1.94 t=48140.0ps kin=1.47 pot=21.50 Rg=30.072 SPS=1649
bl=4715 pos[1]=[18.5 32.7 -48.8] dr=1.86 t=48150.0ps kin=1.56 pot=21.53 Rg=29.997 SPS=1630
bl=4716 pos[1]=[22.2 32.8 -47.8] dr=1.89 t=48160.0ps kin=1.46 pot=21.54 Rg=30.016 SPS=1617
bl=4717 pos[1]=[23.4 33.2 -44.2] dr=1.87 t=48170.0ps kin=1.46 pot=21.51 Rg=29.993 SPS=1651
bl=4718 pos[1]=[23.3 33.3 -43.4] dr=1.81 t=48180.0ps kin=1.45 pot=21.52 Rg=29.932 SPS=1583
bl=4719 pos[1]=[22.5 31.9 -41.7] dr=1.93 t=48190.0ps kin=1.51 pot=21.49 Rg=29.810 SPS=1630
bl=4720 pos[1]=[20.3 32.6 -43.2] dr=1.92 t=48200.0ps kin=1.49 pot=21.52 Rg=29.651 SPS=1640
bl=4721 pos[1]=[16.9 33.9 -45.9] dr=1.94 t=48210.0ps kin=1.56 pot=21.47 Rg=29.651 SPS=1619
bl=4722 pos[1]=[15.8 34.5 -42.1] dr=1.94 t=48220.0ps kin=1.48 pot=21.51 Rg=29.612 SPS=1629
bl=4723 pos[1]=[17.7 35.0 -39.7] dr=1.94 t=48230.0ps kin=1.50 pot=21.49 Rg=29.599 SPS=1611
bl=4724 pos[1]=[18.2 33.6 -39.7] dr=1.90 t=48240.0ps kin=1.46 pot=21.54 Rg=29.590 SPS=1635
bl=4725 pos[1]=[17.0 35.6 -35.5] dr=1.86 t=48250.0ps kin=1.50 pot=21.50 Rg=29.545 SPS=1663
bl=4726 pos[1]=[15.6 36.4 -33.4] dr=1.92 t=48260.0ps kin=1.46 pot=21.52 Rg=29.474 SPS=1644
bl=4727 pos[1]=[17.2 36.0 -35.9] dr=1.92 t=48270.0ps kin=1.46 pot=21.55 Rg=29.325 SPS=1646
bl=4728 pos[1]=[14.7 34.3 -35.7] dr=1.88 t=48280.0ps kin=1.53 pot=21.47 Rg=29.234 SPS=1621
bl=4729 pos[1]=[15.0 30.2 -36.9] dr=1.91 t=48290.0ps kin=1.52 pot=21.49 Rg=29.283 SPS=1653
bl=4730 pos[1]=[14.9 33.0 -36.1] dr=1.99 t=48300.0ps kin=1.51 pot=21.50 Rg=29.369 SPS=1530
bl=4731 pos[1]=[15.3 32.8 -38.6] dr=1.92 t=48310.0ps kin=1.55 pot=21.51 Rg=29.433 SPS=1644
bl=4732 pos[1]=[16.1 32.1 -37.8] dr=1.87 t=48320.0ps kin=1.56 pot=21.53 Rg=29.484 SPS=1656
bl=4733 pos[1]=[17.7 30.9 -39.6] dr=1.91 t=48330.0ps kin=1.52 pot=21.51 Rg=29.501 SPS=1620
bl=4734 pos[1]=[20.1 31.3 -39.3] dr=1.89 t=48340.0ps kin=1.46 pot=21.51 Rg=29.456 SPS=1635
bl=4735 pos[1]=[18.8 33.6 -38.0] dr=1.82 t=48350.0ps kin=1.49 pot=21.47 Rg=29.406 SPS=1625
bl=4736 pos[1]=[18.3 31.5 -37.9] dr=1.96 t=48360.0ps kin=1.50 pot=21.51 Rg=29.388 SPS=1636
bl=4737 pos[1]=[18.7 30.3 -38.9] dr=1.92 t=48370.0ps kin=1.50 pot=21.50 Rg=29.442 SPS=1603
bl=4738 pos[1]=[19.8 30.0 -37.4] dr=1.91 t=48380.0ps kin=1.46 pot=21.52 Rg=29.450 SPS=1592
bl=4739 pos[1]=[17.2 26.2 -34.8] dr=1.90 t=48390.0ps kin=1.51 pot=21.54 Rg=29.481 SPS=1624
bl=4740 pos[1]=[17.4 25.0 -34.8] dr=1.88 t=48400.0ps kin=1.49 pot=21.51 Rg=29.581 SPS=1629
bl=4741 pos[1]=[16.1 25.4 -35.9] dr=2.01 t=48410.0ps kin=1.52 pot=21.50 Rg=29.621 SPS=1659
bl=4742 pos[1]=[14.9 22.2 -39.4] dr=1.92 t=48420.0ps kin=1.53 pot=21.51 Rg=29.655 SPS=1638
bl=4743 pos[1]=[14.0 20.3 -38.9] dr=1.94 t=48430.0ps kin=1.54 pot=21.49 Rg=29.704 SPS=1644
bl=4744 pos[1]=[12.9 19.0 -38.7] dr=2.00 t=48440.0ps kin=1.54 pot=21.56 Rg=29.747 SPS=1636
bl=4745 pos[1]=[11.6 18.5 -38.8] dr=1.86 t=48450.0ps kin=1.54 pot=21.52 Rg=29.806 SPS=1621
bl=4746 pos[1]=[11.2 20.2 -34.8] dr=1.83 t=48460.0ps kin=1.49 pot=21.53 Rg=29.793 SPS=1623
bl=4747 pos[1]=[10.4 21.7 -32.8] dr=1.91 t=48470.0ps kin=1.52 pot=21.49 Rg=29.765 SPS=1611
bl=4748 pos[1]=[11.1 24.6 -33.8] dr=1.94 t=48480.0ps kin=1.47 pot=21.52 Rg=29.756 SPS=1602
bl=4749 pos[1]=[10.2 22.7 -33.6] dr=1.92 t=48490.0ps kin=1.50 pot=21.53 Rg=29.846 SPS=1631
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.29382259 4.37986406 -4.12529734] Rg = 29.846344
median bond size is 0.9676907110944744
three shortest/longest (<10)/ bonds are [0.86422299 0.88302667 0.88920408] [1.10693712 1.11563796 1.13093782]
95 percentile of distance to center is: 43.942422690536425
density of closest 95% monomers is: 0.003624454845252726
density of the core monomers is: 0.034778497279452245
min/median/mean/max coordinates are:
x: -32.01, 12.19, 10.29, 45.68
y: -41.39, 5.74, 4.38, 33.62
z: -39.90, -2.07, -4.13, 25.91
Statistics for velocities:
mean kinetic energy is: 1.4991392221922806 should be: 1.5
fastest particles are (in kT): [6.36054626 6.47412519 6.70599766 7.99011538 9.48481818]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.533223290007374
bl=4750 pos[1]=[10.7 22.3 -37.1] dr=1.90 t=48500.0ps kin=1.54 pot=21.50 Rg=29.918 SPS=1621
bl=4751 pos[1]=[9.0 25.0 -40.3] dr=1.99 t=48510.0ps kin=1.45 pot=21.53 Rg=29.940 SPS=1597
bl=4752 pos[1]=[8.3 25.7 -39.4] dr=1.98 t=48520.0ps kin=1.52 pot=21.49 Rg=29.876 SPS=1465
bl=4753 pos[1]=[8.8 25.4 -38.2] dr=1.94 t=48530.0ps kin=1.48 pot=21.46 Rg=29.863 SPS=1646
bl=4754 pos[1]=[8.9 25.6 -38.1] dr=1.88 t=48540.0ps kin=1.44 pot=21.53 Rg=29.805 SPS=1649
bl=4755 pos[1]=[9.2 27.5 -37.7] dr=1.99 t=48550.0ps kin=1.51 pot=21.54 Rg=29.742 SPS=1596
bl=4756 pos[1]=[9.3 27.1 -35.7] dr=1.93 t=48560.0ps kin=1.50 pot=21.49 Rg=29.759 SPS=1596
bl=4757 pos[1]=[9.0 27.5 -33.5] dr=1.93 t=48570.0ps kin=1.49 pot=21.53 Rg=29.863 SPS=1629
bl=4758 pos[1]=[7.1 28.7 -35.9] dr=1.92 t=48580.0ps kin=1.52 pot=21.50 Rg=29.772 SPS=1660
bl=4759 pos[1]=[9.0 28.2 -34.5] dr=1.92 t=48590.0ps kin=1.44 pot=21.54 Rg=29.779 SPS=1622
bl=4760 pos[1]=[11.1 28.9 -33.2] dr=1.92 t=48600.0ps kin=1.47 pot=21.55 Rg=29.749 SPS=1614
bl=4761 pos[1]=[11.1 29.4 -34.5] dr=1.85 t=48610.0ps kin=1.54 pot=21.56 Rg=29.837 SPS=1677
bl=4762 pos[1]=[10.4 29.9 -37.3] dr=1.92 t=48620.0ps kin=1.48 pot=21.58 Rg=29.892 SPS=1627
bl=4763 pos[1]=[9.8 30.8 -39.8] dr=1.95 t=48630.0ps kin=1.50 pot=21.56 Rg=29.926 SPS=1657
bl=4764 pos[1]=[9.3 31.8 -40.3] dr=1.96 t=48640.0ps kin=1.53 pot=21.53 Rg=29.947 SPS=1658
bl=4765 pos[1]=[8.7 32.0 -40.6] dr=1.97 t=48650.0ps kin=1.53 pot=21.47 Rg=29.994 SPS=1667
bl=4766 pos[1]=[11.8 31.8 -41.0] dr=1.94 t=48660.0ps kin=1.49 pot=21.56 Rg=29.998 SPS=1612
bl=4767 pos[1]=[8.9 29.6 -39.4] dr=1.87 t=48670.0ps kin=1.49 pot=21.51 Rg=30.082 SPS=1642
bl=4768 pos[1]=[6.9 34.0 -37.5] dr=1.88 t=48680.0ps kin=1.46 pot=21.55 Rg=30.156 SPS=1647
bl=4769 pos[1]=[6.7 33.9 -38.5] dr=1.91 t=48690.0ps kin=1.52 pot=21.46 Rg=30.188 SPS=1595
bl=4770 pos[1]=[5.8 35.7 -37.9] dr=1.90 t=48700.0ps kin=1.50 pot=21.50 Rg=30.180 SPS=1614
bl=4771 pos[1]=[7.0 36.6 -35.1] dr=1.89 t=48710.0ps kin=1.48 pot=21.52 Rg=30.246 SPS=1612
bl=4772 pos[1]=[7.7 37.3 -35.5] dr=1.89 t=48720.0ps kin=1.48 pot=21.54 Rg=30.352 SPS=1652
bl=4773 pos[1]=[6.9 36.9 -35.3] dr=1.91 t=48730.0ps kin=1.49 pot=21.52 Rg=30.523 SPS=1439
bl=4774 pos[1]=[7.0 35.4 -35.5] dr=1.84 t=48740.0ps kin=1.52 pot=21.53 Rg=30.657 SPS=1611
bl=4775 pos[1]=[7.9 36.6 -35.5] dr=1.90 t=48750.0ps kin=1.46 pot=21.50 Rg=30.702 SPS=1596
bl=4776 pos[1]=[10.0 37.3 -35.2] dr=1.82 t=48760.0ps kin=1.48 pot=21.48 Rg=30.700 SPS=1621
bl=4777 pos[1]=[8.4 37.5 -33.3] dr=1.90 t=48770.0ps kin=1.54 pot=21.49 Rg=30.803 SPS=1649
bl=4778 pos[1]=[10.9 33.7 -33.3] dr=1.93 t=48780.0ps kin=1.51 pot=21.49 Rg=30.860 SPS=1659
bl=4779 pos[1]=[10.5 34.4 -31.8] dr=1.94 t=48790.0ps kin=1.52 pot=21.48 Rg=30.787 SPS=1611
bl=4780 pos[1]=[12.5 36.2 -27.8] dr=2.02 t=48800.0ps kin=1.49 pot=21.51 Rg=30.761 SPS=1607
bl=4781 pos[1]=[15.0 35.5 -26.2] dr=1.93 t=48810.0ps kin=1.54 pot=21.48 Rg=30.749 SPS=1655
bl=4782 pos[1]=[14.6 35.9 -23.9] dr=1.93 t=48820.0ps kin=1.56 pot=21.53 Rg=30.745 SPS=1643
bl=4783 pos[1]=[12.7 37.4 -26.6] dr=1.96 t=48830.0ps kin=1.48 pot=21.54 Rg=30.785 SPS=1654
bl=4784 pos[1]=[13.2 38.1 -28.8] dr=1.91 t=48840.0ps kin=1.55 pot=21.53 Rg=30.786 SPS=1644
bl=4785 pos[1]=[14.9 35.3 -33.7] dr=1.95 t=48850.0ps kin=1.55 pot=21.54 Rg=30.834 SPS=1593
bl=4786 pos[1]=[13.1 33.7 -35.2] dr=1.98 t=48860.0ps kin=1.56 pot=21.53 Rg=30.802 SPS=1620
bl=4787 pos[1]=[12.7 33.9 -36.4] dr=1.93 t=48870.0ps kin=1.47 pot=21.56 Rg=30.869 SPS=1616
bl=4788 pos[1]=[15.8 33.5 -36.0] dr=1.95 t=48880.0ps kin=1.52 pot=21.58 Rg=30.951 SPS=1644
bl=4789 pos[1]=[16.8 34.6 -38.3] dr=1.89 t=48890.0ps kin=1.60 pot=21.53 Rg=31.005 SPS=1655
bl=4790 pos[1]=[13.6 36.5 -38.4] dr=1.85 t=48900.0ps kin=1.47 pot=21.56 Rg=30.973 SPS=1660
bl=4791 pos[1]=[13.0 38.0 -34.9] dr=1.88 t=48910.0ps kin=1.46 pot=21.53 Rg=30.924 SPS=1648
bl=4792 pos[1]=[14.7 37.2 -32.4] dr=1.91 t=48920.0ps kin=1.47 pot=21.53 Rg=30.981 SPS=1639
bl=4793 pos[1]=[15.5 37.5 -30.9] dr=1.92 t=48930.0ps kin=1.45 pot=21.54 Rg=30.959 SPS=1633
bl=4794 pos[1]=[17.1 36.0 -30.2] dr=1.94 t=48940.0ps kin=1.49 pot=21.48 Rg=30.922 SPS=1628
bl=4795 pos[1]=[15.2 35.2 -28.9] dr=1.98 t=48950.0ps kin=1.49 pot=21.48 Rg=30.869 SPS=1617
bl=4796 pos[1]=[15.3 34.4 -26.9] dr=1.90 t=48960.0ps kin=1.43 pot=21.57 Rg=30.798 SPS=1599
bl=4797 pos[1]=[11.9 32.8 -25.0] dr=1.91 t=48970.0ps kin=1.50 pot=21.55 Rg=30.735 SPS=1583
bl=4798 pos[1]=[9.5 34.5 -25.3] dr=1.93 t=48980.0ps kin=1.52 pot=21.49 Rg=30.785 SPS=1617
bl=4799 pos[1]=[9.4 34.7 -27.2] dr=1.87 t=48990.0ps kin=1.47 pot=21.55 Rg=30.874 SPS=1652
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 9.28571947 4.17010382 -4.01769821] Rg = 30.873592
median bond size is 0.9689884854662415
three shortest/longest (<10)/ bonds are [0.86226361 0.87745734 0.88315597] [1.0867973 1.09749152 1.10567428]
95 percentile of distance to center is: 43.66208582049348
density of closest 95% monomers is: 0.003694717594278191
density of the core monomers is: 0.02632821826735168
min/median/mean/max coordinates are:
x: -28.61, 13.82, 9.29, 44.69
y: -38.04, 5.87, 4.17, 36.39
z: -32.64, -3.28, -4.02, 27.25
Statistics for velocities:
mean kinetic energy is: 1.4734278091866253 should be: 1.5
fastest particles are (in kT): [6.65576813 6.70876467 6.82045436 7.06036308 8.18354258]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.552567293510325
bl=4800 pos[1]=[9.5 36.3 -28.3] dr=1.95 t=49000.0ps kin=1.49 pot=21.55 Rg=31.042 SPS=1588
bl=4801 pos[1]=[9.4 37.2 -31.5] dr=1.89 t=49010.0ps kin=1.52 pot=21.49 Rg=31.012 SPS=1463
bl=4802 pos[1]=[11.6 35.7 -32.8] dr=1.91 t=49020.0ps kin=1.48 pot=21.49 Rg=31.003 SPS=1612
bl=4803 pos[1]=[11.8 34.1 -31.3] dr=1.87 t=49030.0ps kin=1.49 pot=21.54 Rg=31.008 SPS=1643
bl=4804 pos[1]=[11.3 35.4 -30.1] dr=1.90 t=49040.0ps kin=1.49 pot=21.53 Rg=31.055 SPS=1649
bl=4805 pos[1]=[12.4 36.8 -28.0] dr=1.87 t=49050.0ps kin=1.47 pot=21.46 Rg=31.089 SPS=1622
bl=4806 pos[1]=[14.9 35.8 -27.4] dr=1.89 t=49060.0ps kin=1.53 pot=21.48 Rg=31.076 SPS=1583
bl=4807 pos[1]=[14.1 33.4 -26.6] dr=1.89 t=49070.0ps kin=1.47 pot=21.47 Rg=31.256 SPS=1634
bl=4808 pos[1]=[13.8 33.8 -26.5] dr=1.84 t=49080.0ps kin=1.50 pot=21.48 Rg=31.368 SPS=1629
bl=4809 pos[1]=[12.4 33.5 -27.0] dr=1.88 t=49090.0ps kin=1.49 pot=21.51 Rg=31.359 SPS=1669
bl=4810 pos[1]=[11.3 36.2 -25.6] dr=1.94 t=49100.0ps kin=1.51 pot=21.46 Rg=31.383 SPS=1653
bl=4811 pos[1]=[11.3 35.2 -23.8] dr=1.91 t=49110.0ps kin=1.47 pot=21.51 Rg=31.498 SPS=1639
bl=4812 pos[1]=[12.1 33.4 -23.7] dr=1.89 t=49120.0ps kin=1.48 pot=21.49 Rg=31.663 SPS=1663
bl=4813 pos[1]=[15.3 31.6 -22.1] dr=1.90 t=49130.0ps kin=1.50 pot=21.47 Rg=31.782 SPS=1591
bl=4814 pos[1]=[17.4 31.4 -22.3] dr=1.94 t=49140.0ps kin=1.50 pot=21.47 Rg=31.760 SPS=1638
bl=4815 pos[1]=[16.5 32.7 -24.4] dr=1.94 t=49150.0ps kin=1.50 pot=21.50 Rg=31.706 SPS=1642
bl=4816 pos[1]=[14.9 34.1 -25.4] dr=1.95 t=49160.0ps kin=1.60 pot=21.49 Rg=31.713 SPS=1601
bl=4817 pos[1]=[14.8 32.8 -25.2] dr=1.92 t=49170.0ps kin=1.46 pot=21.53 Rg=31.666 SPS=1617
bl=4818 pos[1]=[14.5 34.8 -26.0] dr=1.87 t=49180.0ps kin=1.47 pot=21.52 Rg=31.778 SPS=1630
bl=4819 pos[1]=[13.9 32.4 -27.0] dr=1.93 t=49190.0ps kin=1.46 pot=21.53 Rg=31.808 SPS=1651
bl=4820 pos[1]=[15.1 32.5 -24.1] dr=1.91 t=49200.0ps kin=1.51 pot=21.47 Rg=31.852 SPS=1621
bl=4821 pos[1]=[15.0 34.9 -25.8] dr=1.94 t=49210.0ps kin=1.52 pot=21.48 Rg=31.768 SPS=1463
bl=4822 pos[1]=[14.1 34.5 -29.0] dr=1.98 t=49220.0ps kin=1.49 pot=21.49 Rg=31.637 SPS=1647
bl=4823 pos[1]=[13.4 30.4 -27.7] dr=2.02 t=49230.0ps kin=1.53 pot=21.48 Rg=31.601 SPS=1686
bl=4824 pos[1]=[11.3 28.6 -29.2] dr=1.99 t=49240.0ps kin=1.55 pot=21.44 Rg=31.539 SPS=1600
bl=4825 pos[1]=[9.2 24.9 -28.0] dr=1.99 t=49250.0ps kin=1.46 pot=21.49 Rg=31.500 SPS=1621
bl=4826 pos[1]=[6.9 25.9 -26.0] dr=1.92 t=49260.0ps kin=1.44 pot=21.46 Rg=31.527 SPS=1616
bl=4827 pos[1]=[9.8 23.9 -25.7] dr=1.90 t=49270.0ps kin=1.47 pot=21.48 Rg=31.502 SPS=1561
bl=4828 pos[1]=[12.3 24.6 -27.9] dr=1.94 t=49280.0ps kin=1.51 pot=21.47 Rg=31.537 SPS=1655
bl=4829 pos[1]=[10.9 27.1 -29.0] dr=1.91 t=49290.0ps kin=1.45 pot=21.52 Rg=31.660 SPS=1644
bl=4830 pos[1]=[10.4 27.8 -27.2] dr=1.93 t=49300.0ps kin=1.52 pot=21.51 Rg=31.677 SPS=1607
bl=4831 pos[1]=[12.1 31.5 -26.3] dr=1.92 t=49310.0ps kin=1.43 pot=21.53 Rg=31.666 SPS=1514
bl=4832 pos[1]=[8.8 32.1 -25.1] dr=1.86 t=49320.0ps kin=1.47 pot=21.49 Rg=31.556 SPS=1555
bl=4833 pos[1]=[7.5 32.7 -27.0] dr=1.96 t=49330.0ps kin=1.46 pot=21.46 Rg=31.415 SPS=1612
bl=4834 pos[1]=[9.2 32.3 -27.8] dr=1.99 t=49340.0ps kin=1.51 pot=21.47 Rg=31.424 SPS=1573
bl=4835 pos[1]=[10.1 33.3 -25.4] dr=1.91 t=49350.0ps kin=1.47 pot=21.52 Rg=31.456 SPS=1498
bl=4836 pos[1]=[10.9 32.9 -27.5] dr=1.99 t=49360.0ps kin=1.52 pot=21.56 Rg=31.440 SPS=1273
bl=4837 pos[1]=[13.6 30.4 -26.8] dr=1.89 t=49370.0ps kin=1.49 pot=21.52 Rg=31.449 SPS=1663
bl=4838 pos[1]=[14.2 30.4 -28.5] dr=1.88 t=49380.0ps kin=1.49 pot=21.50 Rg=31.449 SPS=1633
bl=4839 pos[1]=[15.4 31.4 -30.0] dr=1.92 t=49390.0ps kin=1.54 pot=21.52 Rg=31.576 SPS=1636
bl=4840 pos[1]=[16.2 30.5 -28.6] dr=1.92 t=49400.0ps kin=1.49 pot=21.53 Rg=31.725 SPS=1631
bl=4841 pos[1]=[16.8 32.1 -28.5] dr=1.87 t=49410.0ps kin=1.48 pot=21.51 Rg=31.713 SPS=1458
bl=4842 pos[1]=[15.9 34.7 -30.0] dr=1.93 t=49420.0ps kin=1.47 pot=21.47 Rg=31.586 SPS=1604
bl=4843 pos[1]=[14.5 31.4 -31.4] dr=1.92 t=49430.0ps kin=1.48 pot=21.52 Rg=31.533 SPS=1636
bl=4844 pos[1]=[15.0 31.2 -30.3] dr=1.89 t=49440.0ps kin=1.46 pot=21.53 Rg=31.413 SPS=1624
bl=4845 pos[1]=[14.0 31.6 -27.7] dr=1.92 t=49450.0ps kin=1.51 pot=21.46 Rg=31.364 SPS=1664
bl=4846 pos[1]=[16.9 31.7 -24.9] dr=1.90 t=49460.0ps kin=1.44 pot=21.47 Rg=31.400 SPS=1642
bl=4847 pos[1]=[16.0 32.3 -22.9] dr=1.92 t=49470.0ps kin=1.49 pot=21.54 Rg=31.402 SPS=1623
bl=4848 pos[1]=[14.5 33.4 -23.2] dr=1.93 t=49480.0ps kin=1.49 pot=21.51 Rg=31.367 SPS=1545
bl=4849 pos[1]=[15.0 33.9 -23.2] dr=1.92 t=49490.0ps kin=1.54 pot=21.54 Rg=31.286 SPS=1617
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.11848941 5.87229477 -3.92189728] Rg = 31.285759
median bond size is 0.9674667739451281
three shortest/longest (<10)/ bonds are [0.86231337 0.87104068 0.87769239] [1.07308033 1.07414256 1.10255675]
95 percentile of distance to center is: 46.47480674672898
density of closest 95% monomers is: 0.0030636694636395844
density of the core monomers is: 0.016216196104201906
min/median/mean/max coordinates are:
x: -30.59, 12.33, 8.12, 54.68
y: -41.64, 4.86, 5.87, 36.85
z: -38.84, -0.16, -3.92, 27.95
Statistics for velocities:
mean kinetic energy is: 1.543178087803731 should be: 1.5
fastest particles are (in kT): [6.97072497 7.37452107 7.56562361 8.13446413 9.4209145 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.538329357946164
bl=4850 pos[1]=[14.0 37.7 -23.2] dr=1.90 t=49500.0ps kin=1.49 pot=21.50 Rg=31.301 SPS=1615
bl=4851 pos[1]=[11.8 39.4 -25.0] dr=1.94 t=49510.0ps kin=1.50 pot=21.51 Rg=31.370 SPS=1636
bl=4852 pos[1]=[11.2 39.2 -25.4] dr=1.86 t=49520.0ps kin=1.46 pot=21.51 Rg=31.413 SPS=1611
bl=4853 pos[1]=[11.1 38.4 -24.0] dr=1.90 t=49530.0ps kin=1.47 pot=21.54 Rg=31.465 SPS=1594
bl=4854 pos[1]=[9.5 34.6 -25.7] dr=1.93 t=49540.0ps kin=1.47 pot=21.51 Rg=31.518 SPS=1609
bl=4855 pos[1]=[11.9 34.2 -23.5] dr=1.94 t=49550.0ps kin=1.47 pot=21.50 Rg=31.556 SPS=1620
bl=4856 pos[1]=[9.3 35.2 -25.0] dr=1.89 t=49560.0ps kin=1.51 pot=21.46 Rg=31.666 SPS=1645
bl=4857 pos[1]=[8.7 32.1 -24.8] dr=1.94 t=49570.0ps kin=1.52 pot=21.51 Rg=31.651 SPS=1635
bl=4858 pos[1]=[9.6 31.1 -23.1] dr=1.90 t=49580.0ps kin=1.50 pot=21.50 Rg=31.597 SPS=1641
bl=4859 pos[1]=[10.7 31.0 -23.4] dr=1.99 t=49590.0ps kin=1.46 pot=21.54 Rg=31.546 SPS=1613
bl=4860 pos[1]=[9.0 31.9 -23.1] dr=1.88 t=49600.0ps kin=1.45 pot=21.52 Rg=31.514 SPS=1605
bl=4861 pos[1]=[9.3 29.8 -25.8] dr=2.00 t=49610.0ps kin=1.49 pot=21.54 Rg=31.451 SPS=1592
bl=4862 pos[1]=[10.9 29.7 -26.9] dr=1.93 t=49620.0ps kin=1.52 pot=21.50 Rg=31.357 SPS=1576
bl=4863 pos[1]=[11.4 30.9 -27.9] dr=1.90 t=49630.0ps kin=1.45 pot=21.50 Rg=31.408 SPS=1627
bl=4864 pos[1]=[10.3 33.6 -28.4] dr=1.89 t=49640.0ps kin=1.48 pot=21.44 Rg=31.429 SPS=1623
bl=4865 pos[1]=[13.6 36.1 -29.5] dr=1.89 t=49650.0ps kin=1.48 pot=21.47 Rg=31.492 SPS=1650
bl=4866 pos[1]=[13.3 35.3 -28.3] dr=1.92 t=49660.0ps kin=1.46 pot=21.52 Rg=31.537 SPS=1620
bl=4867 pos[1]=[14.5 35.9 -30.8] dr=1.90 t=49670.0ps kin=1.46 pot=21.54 Rg=31.527 SPS=1621
bl=4868 pos[1]=[12.7 33.4 -28.9] dr=2.00 t=49680.0ps kin=1.53 pot=21.50 Rg=31.531 SPS=1584
bl=4869 pos[1]=[13.5 34.2 -26.5] dr=1.96 t=49690.0ps kin=1.49 pot=21.52 Rg=31.611 SPS=1653
bl=4870 pos[1]=[16.0 34.8 -26.5] dr=1.91 t=49700.0ps kin=1.54 pot=21.48 Rg=31.712 SPS=1500
bl=4871 pos[1]=[17.2 31.9 -27.6] dr=1.85 t=49710.0ps kin=1.49 pot=21.52 Rg=31.762 SPS=1694
bl=4872 pos[1]=[13.9 29.4 -28.8] dr=1.83 t=49720.0ps kin=1.50 pot=21.51 Rg=31.693 SPS=1657
bl=4873 pos[1]=[14.0 28.3 -26.2] dr=1.84 t=49730.0ps kin=1.50 pot=21.46 Rg=31.528 SPS=1647
bl=4874 pos[1]=[15.2 23.5 -24.3] dr=1.95 t=49740.0ps kin=1.53 pot=21.54 Rg=31.403 SPS=1656
bl=4875 pos[1]=[12.5 24.6 -23.7] dr=1.92 t=49750.0ps kin=1.49 pot=21.51 Rg=31.311 SPS=1661
bl=4876 pos[1]=[12.1 27.9 -22.7] dr=1.90 t=49760.0ps kin=1.50 pot=21.56 Rg=31.254 SPS=1641
bl=4877 pos[1]=[12.1 28.7 -21.7] dr=1.93 t=49770.0ps kin=1.52 pot=21.54 Rg=31.307 SPS=1682
bl=4878 pos[1]=[9.5 29.5 -19.2] dr=1.88 t=49780.0ps kin=1.44 pot=21.58 Rg=31.335 SPS=1425
bl=4879 pos[1]=[9.5 31.0 -18.5] dr=1.85 t=49790.0ps kin=1.46 pot=21.51 Rg=31.383 SPS=1699
bl=4880 pos[1]=[10.4 30.5 -19.6] dr=1.90 t=49800.0ps kin=1.49 pot=21.50 Rg=31.454 SPS=1658
bl=4881 pos[1]=[14.5 31.8 -21.4] dr=1.94 t=49810.0ps kin=1.50 pot=21.48 Rg=31.578 SPS=1601
bl=4882 pos[1]=[12.3 33.9 -19.4] dr=1.98 t=49820.0ps kin=1.52 pot=21.50 Rg=31.678 SPS=1629
bl=4883 pos[1]=[12.8 33.3 -16.5] dr=2.02 t=49830.0ps kin=1.56 pot=21.55 Rg=31.604 SPS=1226
bl=4884 pos[1]=[13.6 31.5 -16.7] dr=1.91 t=49840.0ps kin=1.55 pot=21.49 Rg=31.590 SPS=1704
bl=4885 pos[1]=[14.1 33.7 -16.3] dr=1.87 t=49850.0ps kin=1.51 pot=21.54 Rg=31.587 SPS=1703
bl=4886 pos[1]=[13.4 34.9 -18.2] dr=1.97 t=49860.0ps kin=1.55 pot=21.50 Rg=31.508 SPS=1694
bl=4887 pos[1]=[13.2 32.8 -17.5] dr=1.94 t=49870.0ps kin=1.55 pot=21.52 Rg=31.370 SPS=1688
bl=4888 pos[1]=[15.2 34.0 -15.5] dr=1.96 t=49880.0ps kin=1.45 pot=21.51 Rg=31.366 SPS=1718
bl=4889 pos[1]=[15.8 34.5 -16.1] dr=1.90 t=49890.0ps kin=1.48 pot=21.49 Rg=31.254 SPS=1664
bl=4890 pos[1]=[15.0 37.8 -17.5] dr=1.89 t=49900.0ps kin=1.47 pot=21.53 Rg=31.119 SPS=1711
bl=4891 pos[1]=[14.6 38.8 -16.6] dr=1.88 t=49910.0ps kin=1.49 pot=21.51 Rg=30.953 SPS=1658
bl=4892 pos[1]=[13.7 36.8 -14.2] dr=1.97 t=49920.0ps kin=1.51 pot=21.51 Rg=30.829 SPS=1637
bl=4893 pos[1]=[14.2 38.5 -14.8] dr=1.94 t=49930.0ps kin=1.46 pot=21.49 Rg=30.802 SPS=1647
bl=4894 pos[1]=[18.8 37.1 -14.3] dr=1.82 t=49940.0ps kin=1.44 pot=21.49 Rg=30.768 SPS=1604
bl=4895 pos[1]=[19.1 36.5 -11.3] dr=1.84 t=49950.0ps kin=1.50 pot=21.52 Rg=30.805 SPS=1512
bl=4896 pos[1]=[20.2 37.4 -10.4] dr=1.89 t=49960.0ps kin=1.52 pot=21.56 Rg=30.880 SPS=1632
bl=4897 pos[1]=[17.7 34.7 -11.5] dr=1.86 t=49970.0ps kin=1.48 pot=21.51 Rg=30.984 SPS=1621
bl=4898 pos[1]=[18.0 33.2 -12.5] dr=1.87 t=49980.0ps kin=1.47 pot=21.52 Rg=31.011 SPS=1656
bl=4899 pos[1]=[17.2 36.0 -15.8] dr=1.90 t=49990.0ps kin=1.50 pot=21.50 Rg=31.024 SPS=1622
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 8.62375675 4.41418703 -2.32483299] Rg = 31.024487
median bond size is 0.9677733398779358
three shortest/longest (<10)/ bonds are [0.87706458 0.8818432 0.8963615 ] [1.08227051 1.08273848 1.10539204]
95 percentile of distance to center is: 43.99339293227921
density of closest 95% monomers is: 0.003611871679477773
density of the core monomers is: 0.005818546692104652
min/median/mean/max coordinates are:
x: -39.26, 15.09, 8.62, 47.80
y: -39.13, 5.79, 4.41, 35.98
z: -32.06, 0.29, -2.32, 26.75
Statistics for velocities:
mean kinetic energy is: 1.5045148027693511 should be: 1.5
fastest particles are (in kT): [6.95611014 7.3427338 8.05493655 8.06635657 8.74277067]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.496486967643804
bl=4900 pos[1]=[15.8 36.4 -17.5] dr=1.88 t=50000.0ps kin=1.52 pot=21.49 Rg=31.074 SPS=1588
bl=4901 pos[1]=[17.3 36.2 -19.1] dr=1.93 t=50010.0ps kin=1.51 pot=21.50 Rg=31.171 SPS=1639
bl=4902 pos[1]=[19.9 38.4 -18.7] dr=1.91 t=50020.0ps kin=1.52 pot=21.47 Rg=31.244 SPS=1640
bl=4903 pos[1]=[19.9 40.7 -15.0] dr=1.94 t=50030.0ps kin=1.52 pot=21.48 Rg=31.180 SPS=1583
bl=4904 pos[1]=[22.8 42.6 -14.3] dr=1.99 t=50040.0ps kin=1.49 pot=21.53 Rg=31.077 SPS=1636
bl=4905 pos[1]=[22.3 40.3 -15.8] dr=1.87 t=50050.0ps kin=1.49 pot=21.50 Rg=30.932 SPS=1628
bl=4906 pos[1]=[25.0 38.6 -14.1] dr=1.91 t=50060.0ps kin=1.50 pot=21.50 Rg=30.823 SPS=1657
bl=4907 pos[1]=[22.6 42.7 -12.8] dr=1.87 t=50070.0ps kin=1.46 pot=21.50 Rg=30.739 SPS=1606
bl=4908 pos[1]=[20.3 44.5 -16.5] dr=1.93 t=50080.0ps kin=1.47 pot=21.51 Rg=30.768 SPS=1661
bl=4909 pos[1]=[20.8 43.2 -16.7] dr=1.90 t=50090.0ps kin=1.47 pot=21.54 Rg=30.847 SPS=1627
bl=4910 pos[1]=[19.1 42.5 -16.3] dr=1.96 t=50100.0ps kin=1.50 pot=21.49 Rg=30.940 SPS=1628
bl=4911 pos[1]=[17.4 45.4 -17.5] dr=1.94 t=50110.0ps kin=1.48 pot=21.49 Rg=31.076 SPS=1641
bl=4912 pos[1]=[15.9 45.6 -17.9] dr=2.01 t=50120.0ps kin=1.46 pot=21.50 Rg=31.128 SPS=1668
bl=4913 pos[1]=[18.7 43.2 -18.4] dr=1.90 t=50130.0ps kin=1.49 pot=21.48 Rg=31.189 SPS=1668
bl=4914 pos[1]=[21.6 42.8 -18.8] dr=1.87 t=50140.0ps kin=1.52 pot=21.52 Rg=31.117 SPS=1638
bl=4915 pos[1]=[22.2 42.0 -18.3] dr=1.87 t=50150.0ps kin=1.46 pot=21.52 Rg=31.093 SPS=1658
bl=4916 pos[1]=[22.2 40.0 -18.3] dr=1.89 t=50160.0ps kin=1.57 pot=21.51 Rg=31.116 SPS=1556
bl=4917 pos[1]=[20.3 39.2 -18.1] dr=1.97 t=50170.0ps kin=1.52 pot=21.52 Rg=31.170 SPS=1603
bl=4918 pos[1]=[20.7 37.6 -20.8] dr=1.95 t=50180.0ps kin=1.47 pot=21.53 Rg=31.233 SPS=1608
bl=4919 pos[1]=[16.4 37.5 -20.1] dr=1.96 t=50190.0ps kin=1.49 pot=21.49 Rg=31.258 SPS=1621
bl=4920 pos[1]=[16.9 38.0 -18.3] dr=1.90 t=50200.0ps kin=1.48 pot=21.53 Rg=31.224 SPS=1627
bl=4921 pos[1]=[16.1 37.4 -19.7] dr=1.90 t=50210.0ps kin=1.49 pot=21.53 Rg=31.224 SPS=1604
bl=4922 pos[1]=[16.0 38.1 -19.6] dr=1.89 t=50220.0ps kin=1.47 pot=21.49 Rg=31.134 SPS=1594
bl=4923 pos[1]=[14.9 41.7 -18.8] dr=1.90 t=50230.0ps kin=1.48 pot=21.49 Rg=31.078 SPS=1616
bl=4924 pos[1]=[13.7 40.3 -18.9] dr=1.91 t=50240.0ps kin=1.49 pot=21.51 Rg=31.079 SPS=1663
bl=4925 pos[1]=[15.0 40.6 -18.6] dr=1.92 t=50250.0ps kin=1.50 pot=21.52 Rg=31.040 SPS=1681
bl=4926 pos[1]=[14.7 43.1 -19.7] dr=1.86 t=50260.0ps kin=1.45 pot=21.55 Rg=30.995 SPS=1663
bl=4927 pos[1]=[15.9 40.6 -22.4] dr=1.92 t=50270.0ps kin=1.51 pot=21.55 Rg=30.865 SPS=1659
bl=4928 pos[1]=[16.9 38.7 -21.5] dr=1.94 t=50280.0ps kin=1.49 pot=21.52 Rg=30.758 SPS=1622
bl=4929 pos[1]=[17.0 39.0 -22.2] dr=1.88 t=50290.0ps kin=1.49 pot=21.51 Rg=30.713 SPS=1592
bl=4930 pos[1]=[16.0 37.5 -23.6] dr=1.94 t=50300.0ps kin=1.42 pot=21.49 Rg=30.733 SPS=1648
bl=4931 pos[1]=[16.6 36.8 -20.9] dr=1.90 t=50310.0ps kin=1.51 pot=21.53 Rg=30.744 SPS=1553
bl=4932 pos[1]=[15.9 37.5 -22.4] dr=1.81 t=50320.0ps kin=1.48 pot=21.55 Rg=30.579 SPS=1615
bl=4933 pos[1]=[17.3 35.9 -25.7] dr=1.96 t=50330.0ps kin=1.52 pot=21.47 Rg=30.352 SPS=1632
bl=4934 pos[1]=[15.8 35.1 -23.9] dr=2.04 t=50340.0ps kin=1.53 pot=21.47 Rg=30.106 SPS=1627
bl=4935 pos[1]=[16.8 36.0 -27.2] dr=1.93 t=50350.0ps kin=1.49 pot=21.50 Rg=29.894 SPS=1535
bl=4936 pos[1]=[18.2 36.7 -25.8] dr=1.98 t=50360.0ps kin=1.49 pot=21.51 Rg=29.814 SPS=1614
bl=4937 pos[1]=[16.1 37.0 -26.8] dr=1.81 t=50370.0ps kin=1.52 pot=21.50 Rg=29.801 SPS=1595
bl=4938 pos[1]=[16.5 35.9 -27.2] dr=1.84 t=50380.0ps kin=1.52 pot=21.49 Rg=29.866 SPS=1617
bl=4939 pos[1]=[13.7 35.5 -26.1] dr=1.96 t=50390.0ps kin=1.51 pot=21.52 Rg=29.926 SPS=1597
bl=4940 pos[1]=[13.7 35.6 -23.5] dr=1.94 t=50400.0ps kin=1.55 pot=21.53 Rg=29.782 SPS=1639
bl=4941 pos[1]=[11.3 37.2 -25.3] dr=1.97 t=50410.0ps kin=1.54 pot=21.49 Rg=29.555 SPS=1662
bl=4942 pos[1]=[13.7 40.1 -25.8] dr=1.96 t=50420.0ps kin=1.52 pot=21.52 Rg=29.470 SPS=1668
bl=4943 pos[1]=[12.7 38.5 -27.0] dr=1.90 t=50430.0ps kin=1.53 pot=21.51 Rg=29.586 SPS=1613
bl=4944 pos[1]=[12.8 38.2 -27.8] dr=1.89 t=50440.0ps kin=1.47 pot=21.52 Rg=29.618 SPS=1597
bl=4945 pos[1]=[12.8 38.2 -25.8] dr=1.82 t=50450.0ps kin=1.56 pot=21.47 Rg=29.642 SPS=1621
bl=4946 pos[1]=[12.4 39.3 -21.3] dr=1.87 t=50460.0ps kin=1.47 pot=21.52 Rg=29.678 SPS=1639
bl=4947 pos[1]=[12.6 36.4 -20.4] dr=1.93 t=50470.0ps kin=1.49 pot=21.52 Rg=29.709 SPS=1622
bl=4948 pos[1]=[13.7 35.1 -19.8] dr=1.87 t=50480.0ps kin=1.47 pot=21.55 Rg=29.757 SPS=1626
bl=4949 pos[1]=[15.7 33.1 -18.8] dr=1.89 t=50490.0ps kin=1.52 pot=21.47 Rg=29.860 SPS=1635
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.02621802 4.30979662 -3.00368187] Rg = 29.859686
median bond size is 0.9664330749402568
three shortest/longest (<10)/ bonds are [0.88314708 0.88670081 0.89008233] [1.0722383 1.07834828 1.07867661]
95 percentile of distance to center is: 41.571150436865594
density of closest 95% monomers is: 0.00428073709009856
density of the core monomers is: 0.011316792228224806
min/median/mean/max coordinates are:
x: -31.60, 13.25, 10.03, 47.40
y: -33.98, 5.02, 4.31, 37.08
z: -33.67, -1.47, -3.00, 29.55
Statistics for velocities:
mean kinetic energy is: 1.51767748534035 should be: 1.5
fastest particles are (in kT): [ 7.48588556 7.49052159 7.68181363 7.71935104 11.54798998]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.473193503410766
bl=4950 pos[1]=[15.9 30.8 -16.8] dr=1.94 t=50500.0ps kin=1.47 pot=21.49 Rg=29.955 SPS=1622
bl=4951 pos[1]=[15.4 30.6 -14.4] dr=1.91 t=50510.0ps kin=1.43 pot=21.50 Rg=29.935 SPS=1644
bl=4952 pos[1]=[16.4 30.1 -15.4] dr=1.96 t=50520.0ps kin=1.47 pot=21.52 Rg=29.989 SPS=1555
bl=4953 pos[1]=[17.6 31.8 -17.5] dr=1.89 t=50530.0ps kin=1.49 pot=21.49 Rg=30.116 SPS=1651
bl=4954 pos[1]=[20.0 29.8 -17.5] dr=2.01 t=50540.0ps kin=1.53 pot=21.49 Rg=30.284 SPS=1639
bl=4955 pos[1]=[20.3 30.3 -16.1] dr=1.91 t=50550.0ps kin=1.48 pot=21.55 Rg=30.449 SPS=1659
bl=4956 pos[1]=[18.5 31.1 -15.6] dr=2.00 t=50560.0ps kin=1.52 pot=21.51 Rg=30.595 SPS=1641
bl=4957 pos[1]=[18.4 29.5 -13.1] dr=1.96 t=50570.0ps kin=1.51 pot=21.46 Rg=30.682 SPS=1648
bl=4958 pos[1]=[19.5 29.1 -13.9] dr=1.94 t=50580.0ps kin=1.46 pot=21.47 Rg=30.813 SPS=1625
bl=4959 pos[1]=[21.2 28.8 -16.5] dr=1.94 t=50590.0ps kin=1.44 pot=21.54 Rg=30.931 SPS=1637
bl=4960 pos[1]=[19.8 28.2 -17.3] dr=1.97 t=50600.0ps kin=1.50 pot=21.48 Rg=30.972 SPS=1645
bl=4961 pos[1]=[22.8 30.5 -18.7] dr=1.94 t=50610.0ps kin=1.55 pot=21.51 Rg=30.952 SPS=1691
bl=4962 pos[1]=[21.3 31.8 -18.9] dr=1.90 t=50620.0ps kin=1.48 pot=21.50 Rg=30.914 SPS=1640
bl=4963 pos[1]=[23.2 31.0 -17.7] dr=1.91 t=50630.0ps kin=1.47 pot=21.51 Rg=30.903 SPS=1659
bl=4964 pos[1]=[22.1 31.3 -17.1] dr=1.95 t=50640.0ps kin=1.45 pot=21.51 Rg=30.912 SPS=1628
bl=4965 pos[1]=[23.7 29.9 -17.4] dr=1.93 t=50650.0ps kin=1.45 pot=21.48 Rg=30.904 SPS=1604
bl=4966 pos[1]=[25.3 29.2 -16.3] dr=1.87 t=50660.0ps kin=1.50 pot=21.55 Rg=30.879 SPS=1612
bl=4967 pos[1]=[22.2 29.6 -16.6] dr=1.90 t=50670.0ps kin=1.51 pot=21.50 Rg=30.971 SPS=1630
bl=4968 pos[1]=[20.6 30.9 -15.6] dr=1.90 t=50680.0ps kin=1.50 pot=21.53 Rg=30.989 SPS=1641
bl=4969 pos[1]=[21.1 28.6 -13.1] dr=1.89 t=50690.0ps kin=1.52 pot=21.57 Rg=31.024 SPS=1654
bl=4970 pos[1]=[18.8 30.4 -15.4] dr=1.94 t=50700.0ps kin=1.53 pot=21.57 Rg=31.065 SPS=1635
bl=4971 pos[1]=[18.6 31.1 -11.5] dr=1.99 t=50710.0ps kin=1.55 pot=21.51 Rg=31.164 SPS=1640
bl=4972 pos[1]=[20.3 28.0 -11.5] dr=1.94 t=50720.0ps kin=1.51 pot=21.48 Rg=31.234 SPS=1621
bl=4973 pos[1]=[19.5 26.2 -12.6] dr=1.97 t=50730.0ps kin=1.54 pot=21.49 Rg=31.320 SPS=1562
bl=4974 pos[1]=[18.5 26.1 -13.4] dr=2.01 t=50740.0ps kin=1.49 pot=21.51 Rg=31.425 SPS=1429
bl=4975 pos[1]=[18.2 24.3 -13.0] dr=1.87 t=50750.0ps kin=1.53 pot=21.52 Rg=31.433 SPS=1644
bl=4976 pos[1]=[20.5 24.4 -11.8] dr=1.89 t=50760.0ps kin=1.48 pot=21.54 Rg=31.449 SPS=1630
bl=4977 pos[1]=[19.8 26.4 -11.4] dr=1.89 t=50770.0ps kin=1.50 pot=21.49 Rg=31.504 SPS=1684
bl=4978 pos[1]=[18.6 24.3 -10.5] dr=1.87 t=50780.0ps kin=1.53 pot=21.52 Rg=31.459 SPS=1565
bl=4979 pos[1]=[18.1 22.8 -13.3] dr=1.92 t=50790.0ps kin=1.52 pot=21.50 Rg=31.371 SPS=1679
bl=4980 pos[1]=[15.4 24.1 -13.3] dr=1.92 t=50800.0ps kin=1.49 pot=21.50 Rg=31.300 SPS=1624
bl=4981 pos[1]=[16.5 27.1 -12.0] dr=1.94 t=50810.0ps kin=1.52 pot=21.54 Rg=31.318 SPS=1658
bl=4982 pos[1]=[17.0 25.1 -10.5] dr=1.93 t=50820.0ps kin=1.44 pot=21.55 Rg=31.264 SPS=1634
bl=4983 pos[1]=[17.3 25.9 -10.2] dr=1.94 t=50830.0ps kin=1.49 pot=21.50 Rg=31.091 SPS=1653
bl=4984 pos[1]=[16.6 27.5 -8.6] dr=1.99 t=50840.0ps kin=1.53 pot=21.52 Rg=31.058 SPS=1636
bl=4985 pos[1]=[17.3 28.3 -7.6] dr=1.90 t=50850.0ps kin=1.49 pot=21.49 Rg=31.091 SPS=1656
bl=4986 pos[1]=[18.2 29.0 -8.1] dr=1.93 t=50860.0ps kin=1.50 pot=21.52 Rg=31.040 SPS=1639
bl=4987 pos[1]=[17.1 30.2 -7.8] dr=1.87 t=50870.0ps kin=1.46 pot=21.52 Rg=31.032 SPS=1616
bl=4988 pos[1]=[16.6 29.3 -6.8] dr=1.94 t=50880.0ps kin=1.51 pot=21.52 Rg=31.028 SPS=1635
bl=4989 pos[1]=[17.5 30.2 -7.3] dr=1.87 t=50890.0ps kin=1.46 pot=21.54 Rg=31.078 SPS=1663
bl=4990 pos[1]=[16.8 28.5 -6.1] dr=1.90 t=50900.0ps kin=1.50 pot=21.55 Rg=31.120 SPS=1628
bl=4991 pos[1]=[15.1 28.0 -7.4] dr=1.91 t=50910.0ps kin=1.55 pot=21.51 Rg=31.254 SPS=1617
bl=4992 pos[1]=[15.3 28.2 -10.5] dr=1.98 t=50920.0ps kin=1.55 pot=21.51 Rg=31.327 SPS=1626
bl=4993 pos[1]=[13.7 25.9 -10.6] dr=2.00 t=50930.0ps kin=1.52 pot=21.51 Rg=31.224 SPS=1654
bl=4994 pos[1]=[12.4 26.6 -10.1] dr=1.93 t=50940.0ps kin=1.51 pot=21.50 Rg=31.142 SPS=1608
bl=4995 pos[1]=[14.6 29.2 -8.8] dr=2.04 t=50950.0ps kin=1.57 pot=21.54 Rg=31.121 SPS=1598
bl=4996 pos[1]=[18.8 30.4 -9.6] dr=1.95 t=50960.0ps kin=1.54 pot=21.50 Rg=31.097 SPS=1609
bl=4997 pos[1]=[21.0 30.1 -5.5] dr=1.96 t=50970.0ps kin=1.54 pot=21.55 Rg=31.170 SPS=1513
bl=4998 pos[1]=[16.5 29.8 -4.8] dr=1.87 t=50980.0ps kin=1.48 pot=21.54 Rg=31.132 SPS=1614
bl=4999 pos[1]=[16.3 31.2 -5.2] dr=1.95 t=50990.0ps kin=1.54 pot=21.56 Rg=31.126 SPS=1630
Statistics for the simulation opt_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [10.64085941 3.2369641 -3.05883014] Rg = 31.126173
median bond size is 0.9682098153934492
three shortest/longest (<10)/ bonds are [0.88247636 0.89129299 0.89462364] [1.10528633 1.11898301 1.12027204]
95 percentile of distance to center is: 45.24942909150049
density of closest 95% monomers is: 0.0033193677726910255
density of the core monomers is: 0.009711920589836798
min/median/mean/max coordinates are:
x: -34.87, 11.94, 10.64, 54.84
y: -37.02, 3.36, 3.24, 33.63
z: -34.71, -2.68, -3.06, 25.15
Statistics for velocities:
mean kinetic energy is: 1.546066852299181 should be: 1.5
fastest particles are (in kT): [ 6.7088955 7.769536 8.36872156 8.39968923 16.24061828]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'CustomTypes', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 21.559233268805308
bl=5000 pos[1]=[19.1 31.1 -4.6] dr=1.90 t=51000.0ps kin=1.52 pot=21.50 Rg=31.072 SPS=1605
In the end of each replica simulation, we need to save some important values required to calculate the inversion.
We are saving these files using the H5 compression because it is faster to write/read.
Note: attention to this step. We have these 4 files for each replica for each iteration step. Be organized!
[23]:
replica="1"
with h5py.File(simulation.folder + "/Nframes_" + replica + ".h5", 'w') as hf:
hf.create_dataset("Nframes", data=optimization.Nframes)
with h5py.File(simulation.folder + "/Pold_" + replica + ".h5", 'w') as hf:
hf.create_dataset("Pold", data=optimization.Pold)
# Specific for Types minimization
with h5py.File(simulation.folder + "/Pold_type_" + replica + ".h5", 'w') as hf:
hf.create_dataset("Pold_type", data=optimization.Pold_type)
with h5py.File(simulation.folder + "/PiPj_type_" + replica + ".h5", 'w') as hf:
hf.create_dataset("PiPj_type", data=optimization.PiPj_type)
The first part of the optimization is finished. Look inside the output folder to see these 4 files that will be used in next step.
[24]:
%%bash
ls iteration_0/*.h5
iteration_0/Nframes_1.h5
iteration_0/PiPj_type_1.h5
iteration_0/Pold_1.h5
iteration_0/Pold_type_1.h5
The next part is the inversion. It is quite simple, just feed the optmization object with all replicas and make the inversion to get the new lambda file.
[25]:
inversion = CustomMiChroMTraining(ChromSeq="input/seq_chr10_100k.txt",
TypesTable='input/lambda_0',
mu=3.22, rc = 1.78)
[26]:
iterations = "iteration_0"
replica = "1"
with h5py.File(iterations + "/Nframes_" + replica + ".h5", 'r') as hf:
inversion.Nframes += hf['Nframes'][()]
with h5py.File(iterations + "/Pold_" + replica + ".h5", 'r') as hf:
inversion.Pold += hf['Pold'][:]
# For Types
with h5py.File(iterations + "/Pold_type_" + replica + ".h5", 'r') as hf:
inversion.Pold_type += hf['Pold_type'][:]
with h5py.File(iterations + "/PiPj_type_" + replica + ".h5", 'r') as hf:
inversion.PiPj_type += hf['PiPj_type'][:]
With the parameters of all replicas, we calculate the inversion and get the new lambdas. It is calculated by using the Newton Method:
\(\lambda_1 = \lambda_0 - \delta\times\lambda_{actual}\)
\(\delta\) is the learning rate or damp, it can be adjusted in order to get values between [-1:0]. The average value of MiChroM’s parameters for Human GM12878 is -0.3 when generating \(1\times10^5\) configurations among different replicas.
[27]:
lambdas = inversion.get_lambdas_types(exp_map="input/chr10_100k.dense",
damp=3e-7)
print(lambdas)
A1 B1
0 -0.129980 -0.339399
1 -0.339399 -0.282689
Save the new lambda (lambda_1) and other files to analyze the inversion.
[28]:
iteration = "0"
# Probabilities of As/Bs in the simulation and experiment
phi_sim = inversion.calc_phi_sim_types().ravel()
phi_exp = inversion.calc_phi_exp_types().ravel()
np.savetxt('iteration_0/phi_sim_' + iteration, phi_sim)
np.savetxt('iteration_0/phi_exp', phi_exp)
plt.plot(phi_sim[phi_sim>0], 'o', label="simulation")
plt.plot(phi_exp[phi_exp>0], 'o', label="experiment")
plt.ylabel(r'Contact probability, $\phi$')
labels_exp = ["AA", "AB", "BB"]
plt.xticks(np.arange(len(labels_exp)), labels_exp)
plt.legend()
# Save and plot the simulated Hi-C
dense_sim = inversion.get_HiC_sim()
np.savetxt('iteration_0/hic_sim_' + iteration + '.dense', dense_sim)
dense_exp = np.loadtxt(filename)
dense_exp[np.isnan(dense_exp)] = 0.0
dense_exp = normalize(dense_exp, axis=1, norm='max')
r = np.zeros(dense_sim.size).reshape(dense_sim.shape)
r = np.triu(dense_exp, k=1) + np.tril(dense_sim, k=-1) + np.diag(np.ones(len(r)))
plt.matshow(r,
norm=mpl.colors.LogNorm(vmin=0.0001,
vmax=dense_sim.max()),
cmap="Reds")
# Save the new lambda file
lambdas.to_csv("iteration_0/lambda_1", index=False)
Redo these steps using the new lambda file (lambda_1) as input for Types potential in the next iteration.
The tolerance can be calculate using phi_sim_1 and phi_exp by the equation:
\(tolerance = \frac{|\phi_{sim}-\phi_{exp}|}{\phi_{exp}}\)
This is appended in to file tolerance_and_pearson_types.
[29]:
%%bash
cat tolerance_and_pearson_types
Tolerance: 0.621787 Pearson's Correlation: 0.854001
We included a folder named scripts that has some .py and .slurm files that can be used to run this optimization in parallel using slurm clusters. It is located in our github repository https://github.com/junioreif/OpenMiChroM.
2# Ideal Chromosome Interaction Opmization¶
Following the previous section protocoal, now it is time to learn how to minimize the Ideal Chromosome (IC) interaction, the last term of our hamiltonian
\({ U }_{\text{MiChroM} }(\vec { r } )={ U }_{ HP }\left( \vec { r } \right) +\sum _{\tiny{ \begin{matrix} k\ge l \\ k,l \in \text{Types} \end{matrix} } }{ { \alpha }_{ kl } } \sum _{\tiny{ \begin{matrix} i \in \{ \text{Loci of Type k}\} \\ j \in \{ \text{Loci of Type l} \} \end{matrix} }} f({ r }_{ ij }) + \sum _{ d=3 }^{ { d }_{ cutoff } }{ \gamma (d)\sum _{ i }{ f({ r }_{ i,i+d }) } }\)
The pipeline to perform the IC minimization is similar to the previous one:
Run a long simulation using the homopolymer + types potential + addCustomIC of the
OpenMiChroMmodule. The first iteration can start with all parameters equal to zero or set to an initial guess.Get the frames from this simualtion to perform the inversion.
In the end of the inversion, new values to the interactions will be produced.
Calcule the tolerance between the simulated and experimental parameters. If it is above the treshold, re-do steps 1-3 until reaching the treshold (usually 10% or 15% is enougth).
The IC file is a single column .txt with the values for each interaction. The file lenght should the genome distance (d) that you want to train. In the above equation, it goes from d = 3 to a certain cutoff that normaly would be 200 for the human chromosome.
Lets create the initial file with this format:
0
0
.
.
.
0
Save it as lambda_0.
[30]:
%%bash
rm input/lambda_0_IC &> /dev/null
for (( i=3; i<=1356; i++ )); do echo 0 >> input/lambda_IC_0; done
wc -l input/lambda_IC_0
2708 input/lambda_IC_0
Again, create the simulation that will colapse the initial structure.
[31]:
simulation_ic = MiChroM(name='opt_ic_chr10_100K', temperature=1.0, time_step=0.01)
simulation_ic.setup(platform="OpenCL")
simulation_ic.saveFolder('iteration_ic_0')
mychro_ic = simulation_ic.createSpringSpiral(ChromSeq="input/seq_chr10_100k.txt")
simulation_ic.loadStructure(mychro_ic, center=True)
# Adding Potentials section
# **Homopolymer Potentials**
simulation_ic.addFENEBonds(kfb=30.0)
simulation_ic.addAngles(ka=2.0)
simulation_ic.addRepulsiveSoftCore(Ecut=4.0)
# **Chromosome Potentials**
simulation_ic.addTypetoType()
simulation_ic.addCustomIC(IClist="input/lambda_IC_0",
dinit=3, dend=200)
# The restriction term for colapsing the beads
simulation_ic.addFlatBottomHarmonic(kr=5*10**-3, n_rad=8.0)
***************************************************************************************
**** **** *** *** *** *** *** *** OpenMiChroM-1.0.6 *** *** *** *** *** *** **** ****
OpenMiChroM is a Python library for performing chromatin dynamics simulations.
OpenMiChroM uses the OpenMM Python API,
employing the MiChroM (Minimal Chromatin Model) energy function.
The chromatin dynamics simulations generate an ensemble of 3D chromosomal structures
that are consistent with experimental Hi-C maps, also allows simulations of a single
or multiple chromosome chain using High-Performance Computing
in different platforms (GPUs and CPUs).
OpenMiChroM documentation is available at https://open-michrom.readthedocs.io
OpenMiChroM is described in: Oliveira Junior, A. B & Contessoto, V, G et. al.
A Scalable Computational Approach for Simulating Complexes of Multiple Chromosomes.
Journal of Molecular Biology. doi:10.1016/j.jmb.2020.10.034.
and
Oliveira Junior, A. B. et al.
Chromosome Modeling on Downsampled Hi-C Maps Enhances the Compartmentalization Signal.
J. Phys. Chem. B, doi:10.1021/acs.jpcb.1c04174.
Copyright (c) 2022, The OpenMiChroM development team at
Rice University
***************************************************************************************
Execute the simulation to colapse the initial structure
[32]:
block = 1000
n_blocks = 200
rg_ic = []
for _ in range(n_blocks):
simulation_ic.runSimBlock(block, increment=False)
rg_ic.append(simulation_ic.chromRG())
#save a collapsed structure in pdb format for inspection
simulation_ic.saveStructure(mode = 'pdb')
plt.plot(rg_ic)
Number of exceptions: 1355
adding force FENEBond 0
adding force AngleForce 1
Add exclusions for RepulsiveSoftCore force
adding force RepulsiveSoftCore 2
Add exclusions for TypetoType force
adding force TypetoType 3
Add exclusions for CustomIC force
adding force CustomIC 4
adding force FlatBottomHarmonic 5
Positions...
loaded!
potential energy is 31.148000
bl=0 pos[1]=[103.9 -5.2 3.1] dr=2.98 t=10.0ps kin=1.69 pot=31.11 Rg=71.759 SPS=1477
bl=0 pos[1]=[100.0 -3.5 6.2] dr=3.82 t=20.0ps kin=1.86 pot=30.41 Rg=68.810 SPS=1516
bl=0 pos[1]=[96.5 -1.9 5.8] dr=3.73 t=30.0ps kin=1.95 pot=29.57 Rg=65.671 SPS=1377
bl=0 pos[1]=[92.0 -2.3 4.9] dr=3.61 t=40.0ps kin=1.95 pot=28.79 Rg=62.628 SPS=1607
bl=0 pos[1]=[86.2 -1.4 3.0] dr=3.57 t=50.0ps kin=1.88 pot=27.96 Rg=59.608 SPS=1598
bl=0 pos[1]=[84.7 0.2 2.9] dr=3.50 t=60.0ps kin=1.91 pot=27.25 Rg=56.653 SPS=1627
bl=0 pos[1]=[80.1 1.5 4.1] dr=3.35 t=70.0ps kin=1.96 pot=26.66 Rg=53.905 SPS=1626
bl=0 pos[1]=[74.6 1.8 3.4] dr=3.13 t=80.0ps kin=1.80 pot=26.08 Rg=51.390 SPS=1606
bl=0 pos[1]=[71.0 1.2 2.3] dr=2.98 t=90.0ps kin=1.79 pot=25.57 Rg=49.088 SPS=1544
bl=0 pos[1]=[66.5 -1.9 2.8] dr=2.89 t=100.0ps kin=1.69 pot=25.14 Rg=46.947 SPS=1438
bl=0 pos[1]=[64.6 -2.7 3.4] dr=2.77 t=110.0ps kin=1.70 pot=24.74 Rg=44.935 SPS=1033
bl=0 pos[1]=[60.6 -1.0 2.2] dr=2.78 t=120.0ps kin=1.62 pot=24.36 Rg=42.905 SPS=1592
bl=0 pos[1]=[57.4 -0.5 1.9] dr=2.65 t=130.0ps kin=1.66 pot=24.01 Rg=41.054 SPS=1537
bl=0 pos[1]=[52.3 1.5 -0.7] dr=2.62 t=140.0ps kin=1.64 pot=23.75 Rg=39.307 SPS=1591
bl=0 pos[1]=[51.8 1.6 -0.8] dr=2.64 t=150.0ps kin=1.70 pot=23.43 Rg=37.516 SPS=1642
bl=0 pos[1]=[48.7 -1.0 0.8] dr=2.55 t=160.0ps kin=1.68 pot=23.20 Rg=35.825 SPS=1635
bl=0 pos[1]=[44.8 -5.4 3.3] dr=2.51 t=170.0ps kin=1.63 pot=22.96 Rg=34.276 SPS=1583
bl=0 pos[1]=[40.3 -5.0 1.4] dr=2.40 t=180.0ps kin=1.65 pot=22.78 Rg=32.883 SPS=1607
bl=0 pos[1]=[35.7 -1.9 1.0] dr=2.33 t=190.0ps kin=1.59 pot=22.55 Rg=31.524 SPS=1560
bl=0 pos[1]=[34.2 -0.8 0.4] dr=2.31 t=200.0ps kin=1.61 pot=22.36 Rg=30.217 SPS=1542
bl=0 pos[1]=[33.9 -2.1 1.2] dr=2.20 t=210.0ps kin=1.58 pot=22.20 Rg=28.984 SPS=1508
bl=0 pos[1]=[33.4 -1.9 1.2] dr=2.21 t=220.0ps kin=1.60 pot=22.02 Rg=27.804 SPS=1517
bl=0 pos[1]=[29.7 -4.3 0.4] dr=2.17 t=230.0ps kin=1.55 pot=21.91 Rg=26.608 SPS=1491
bl=0 pos[1]=[25.9 1.0 0.0] dr=2.14 t=240.0ps kin=1.50 pot=21.77 Rg=25.518 SPS=1443
bl=0 pos[1]=[22.2 0.7 -0.8] dr=1.98 t=250.0ps kin=1.47 pot=21.65 Rg=24.491 SPS=1469
bl=0 pos[1]=[25.3 -0.1 -2.0] dr=1.92 t=260.0ps kin=1.57 pot=21.57 Rg=23.600 SPS=1439
bl=0 pos[1]=[27.3 -2.5 -0.6] dr=1.86 t=270.0ps kin=1.60 pot=21.51 Rg=22.855 SPS=1431
bl=0 pos[1]=[25.3 -1.3 -0.4] dr=1.91 t=280.0ps kin=1.53 pot=21.42 Rg=22.106 SPS=1444
bl=0 pos[1]=[27.0 -0.7 -1.6] dr=1.83 t=290.0ps kin=1.52 pot=21.36 Rg=21.375 SPS=1440
bl=0 pos[1]=[23.0 -1.8 -1.8] dr=1.85 t=300.0ps kin=1.49 pot=21.30 Rg=20.677 SPS=1430
bl=0 pos[1]=[23.5 -1.7 -0.4] dr=1.79 t=310.0ps kin=1.55 pot=21.22 Rg=20.007 SPS=1421
bl=0 pos[1]=[24.6 -1.9 -0.3] dr=1.83 t=320.0ps kin=1.55 pot=21.18 Rg=19.399 SPS=1418
bl=0 pos[1]=[22.3 -3.7 0.5] dr=1.78 t=330.0ps kin=1.56 pot=21.08 Rg=18.771 SPS=1392
bl=0 pos[1]=[21.5 -2.3 1.0] dr=1.78 t=340.0ps kin=1.53 pot=21.00 Rg=18.128 SPS=1409
bl=0 pos[1]=[20.5 -1.1 0.1] dr=1.70 t=350.0ps kin=1.59 pot=20.92 Rg=17.629 SPS=1408
bl=0 pos[1]=[19.3 -2.5 0.2] dr=1.64 t=360.0ps kin=1.56 pot=20.92 Rg=17.187 SPS=1416
bl=0 pos[1]=[17.5 -2.2 1.0] dr=1.69 t=370.0ps kin=1.47 pot=20.88 Rg=16.614 SPS=1339
bl=0 pos[1]=[17.5 -0.5 1.4] dr=1.62 t=380.0ps kin=1.49 pot=20.85 Rg=16.107 SPS=1423
bl=0 pos[1]=[16.2 -0.5 0.5] dr=1.64 t=390.0ps kin=1.50 pot=20.84 Rg=15.711 SPS=1420
bl=0 pos[1]=[15.2 -0.4 0.9] dr=1.58 t=400.0ps kin=1.41 pot=20.83 Rg=15.319 SPS=1416
bl=0 pos[1]=[14.2 0.1 1.1] dr=1.57 t=410.0ps kin=1.51 pot=20.80 Rg=14.858 SPS=1418
bl=0 pos[1]=[13.7 0.3 1.3] dr=1.56 t=420.0ps kin=1.52 pot=20.75 Rg=14.443 SPS=1423
bl=0 pos[1]=[13.7 -0.0 1.6] dr=1.57 t=430.0ps kin=1.56 pot=20.70 Rg=14.036 SPS=1429
bl=0 pos[1]=[12.5 0.3 1.5] dr=1.53 t=440.0ps kin=1.49 pot=20.72 Rg=13.705 SPS=1413
bl=0 pos[1]=[12.5 -0.8 2.5] dr=1.54 t=450.0ps kin=1.51 pot=20.69 Rg=13.412 SPS=1420
bl=0 pos[1]=[12.2 0.5 4.0] dr=1.51 t=460.0ps kin=1.56 pot=20.66 Rg=13.064 SPS=1424
bl=0 pos[1]=[13.4 1.2 3.5] dr=1.58 t=470.0ps kin=1.51 pot=20.62 Rg=12.606 SPS=1404
bl=0 pos[1]=[10.9 -1.5 5.9] dr=1.60 t=480.0ps kin=1.51 pot=20.62 Rg=12.328 SPS=1413
bl=0 pos[1]=[11.3 -0.1 5.4] dr=1.56 t=490.0ps kin=1.45 pot=20.65 Rg=12.079 SPS=1418
bl=0 pos[1]=[10.8 0.9 2.8] dr=1.54 t=500.0ps kin=1.50 pot=20.63 Rg=11.950 SPS=1417
bl=0 pos[1]=[9.8 0.2 2.3] dr=1.55 t=510.0ps kin=1.54 pot=20.60 Rg=11.718 SPS=1411
bl=0 pos[1]=[11.9 1.0 2.6] dr=1.49 t=520.0ps kin=1.58 pot=20.57 Rg=11.466 SPS=1409
bl=0 pos[1]=[14.4 0.1 3.2] dr=1.49 t=530.0ps kin=1.53 pot=20.60 Rg=11.342 SPS=1414
bl=0 pos[1]=[12.9 -3.2 3.2] dr=1.48 t=540.0ps kin=1.53 pot=20.56 Rg=11.107 SPS=1382
bl=0 pos[1]=[9.8 -2.5 4.5] dr=1.49 t=550.0ps kin=1.54 pot=20.59 Rg=10.836 SPS=1400
bl=0 pos[1]=[8.2 -1.2 3.4] dr=1.48 t=560.0ps kin=1.54 pot=20.59 Rg=10.539 SPS=1405
bl=0 pos[1]=[8.7 -1.2 1.1] dr=1.43 t=570.0ps kin=1.49 pot=20.51 Rg=10.382 SPS=1396
bl=0 pos[1]=[7.9 -1.2 1.4] dr=1.47 t=580.0ps kin=1.48 pot=20.55 Rg=10.106 SPS=1412
bl=0 pos[1]=[7.1 -1.9 1.0] dr=1.47 t=590.0ps kin=1.50 pot=20.58 Rg=9.922 SPS=1433
bl=0 pos[1]=[7.5 -1.7 1.0] dr=1.41 t=600.0ps kin=1.51 pot=20.50 Rg=9.921 SPS=1400
bl=0 pos[1]=[9.3 -2.6 3.8] dr=1.49 t=610.0ps kin=1.48 pot=20.53 Rg=9.827 SPS=1398
bl=0 pos[1]=[9.0 -4.0 4.0] dr=1.47 t=620.0ps kin=1.47 pot=20.47 Rg=9.699 SPS=1403
bl=0 pos[1]=[8.3 -4.1 2.2] dr=1.42 t=630.0ps kin=1.44 pot=20.53 Rg=9.542 SPS=1403
bl=0 pos[1]=[8.3 -2.5 3.9] dr=1.49 t=640.0ps kin=1.51 pot=20.48 Rg=9.334 SPS=1403
bl=0 pos[1]=[10.3 -2.3 3.6] dr=1.42 t=650.0ps kin=1.51 pot=20.52 Rg=9.201 SPS=1434
bl=0 pos[1]=[11.3 -1.5 2.7] dr=1.51 t=660.0ps kin=1.49 pot=20.43 Rg=8.987 SPS=1400
bl=0 pos[1]=[8.9 -1.0 2.8] dr=1.44 t=670.0ps kin=1.46 pot=20.39 Rg=8.794 SPS=1402
bl=0 pos[1]=[8.7 -1.6 3.1] dr=1.39 t=680.0ps kin=1.44 pot=20.50 Rg=8.741 SPS=1395
bl=0 pos[1]=[12.4 -3.2 4.0] dr=1.44 t=690.0ps kin=1.56 pot=20.42 Rg=8.595 SPS=1404
bl=0 pos[1]=[12.3 -1.0 5.2] dr=1.44 t=700.0ps kin=1.53 pot=20.42 Rg=8.566 SPS=1402
bl=0 pos[1]=[13.3 0.6 3.1] dr=1.45 t=710.0ps kin=1.48 pot=20.42 Rg=8.506 SPS=1404
bl=0 pos[1]=[13.6 -1.2 3.5] dr=1.43 t=720.0ps kin=1.49 pot=20.43 Rg=8.356 SPS=1288
bl=0 pos[1]=[11.5 -3.8 0.2] dr=1.42 t=730.0ps kin=1.54 pot=20.43 Rg=8.229 SPS=1397
bl=0 pos[1]=[11.9 -2.3 0.3] dr=1.42 t=740.0ps kin=1.49 pot=20.38 Rg=8.174 SPS=1395
bl=0 pos[1]=[10.3 -2.9 2.8] dr=1.37 t=750.0ps kin=1.50 pot=20.36 Rg=8.105 SPS=1405
bl=0 pos[1]=[10.7 -1.9 0.7] dr=1.35 t=760.0ps kin=1.46 pot=20.39 Rg=7.969 SPS=1397
bl=0 pos[1]=[8.4 -2.2 -2.2] dr=1.42 t=770.0ps kin=1.49 pot=20.33 Rg=7.801 SPS=1388
bl=0 pos[1]=[10.4 -2.1 -0.3] dr=1.44 t=780.0ps kin=1.49 pot=20.33 Rg=7.791 SPS=1395
bl=0 pos[1]=[7.0 -2.5 2.9] dr=1.44 t=790.0ps kin=1.49 pot=20.37 Rg=7.829 SPS=1402
bl=0 pos[1]=[8.4 -5.8 0.7] dr=1.36 t=800.0ps kin=1.45 pot=20.37 Rg=7.791 SPS=1401
bl=0 pos[1]=[5.7 -6.1 -1.0] dr=1.35 t=810.0ps kin=1.53 pot=20.40 Rg=7.755 SPS=1397
bl=0 pos[1]=[5.3 -7.1 -0.1] dr=1.36 t=820.0ps kin=1.54 pot=20.37 Rg=7.700 SPS=1400
bl=0 pos[1]=[4.2 -6.6 -0.3] dr=1.36 t=830.0ps kin=1.54 pot=20.31 Rg=7.621 SPS=1400
bl=0 pos[1]=[4.5 -6.2 0.6] dr=1.32 t=840.0ps kin=1.45 pot=20.37 Rg=7.591 SPS=1402
bl=0 pos[1]=[4.7 -7.6 0.6] dr=1.41 t=850.0ps kin=1.45 pot=20.31 Rg=7.474 SPS=1408
bl=0 pos[1]=[7.0 -9.3 0.9] dr=1.38 t=860.0ps kin=1.48 pot=20.30 Rg=7.410 SPS=1396
bl=0 pos[1]=[6.3 -8.7 1.3] dr=1.39 t=870.0ps kin=1.49 pot=20.31 Rg=7.346 SPS=1395
bl=0 pos[1]=[6.8 -6.6 3.2] dr=1.32 t=880.0ps kin=1.46 pot=20.22 Rg=7.185 SPS=1394
bl=0 pos[1]=[8.0 -5.1 3.5] dr=1.33 t=890.0ps kin=1.50 pot=20.29 Rg=7.137 SPS=1403
bl=0 pos[1]=[7.4 -2.8 1.5] dr=1.37 t=900.0ps kin=1.47 pot=20.28 Rg=7.121 SPS=1377
bl=0 pos[1]=[7.2 -2.1 1.2] dr=1.33 t=910.0ps kin=1.48 pot=20.31 Rg=7.046 SPS=1368
bl=0 pos[1]=[7.6 -2.6 2.3] dr=1.41 t=920.0ps kin=1.56 pot=20.25 Rg=6.956 SPS=1369
bl=0 pos[1]=[5.2 -1.9 3.1] dr=1.39 t=930.0ps kin=1.51 pot=20.31 Rg=7.036 SPS=1371
bl=0 pos[1]=[5.7 -0.6 1.6] dr=1.44 t=940.0ps kin=1.46 pot=20.30 Rg=7.103 SPS=1393
bl=0 pos[1]=[4.5 -1.1 1.2] dr=1.41 t=950.0ps kin=1.48 pot=20.31 Rg=7.072 SPS=1394
bl=0 pos[1]=[6.3 -0.9 1.2] dr=1.40 t=960.0ps kin=1.52 pot=20.31 Rg=6.996 SPS=1377
bl=0 pos[1]=[7.0 -0.0 0.3] dr=1.36 t=970.0ps kin=1.50 pot=20.32 Rg=7.042 SPS=1403
bl=0 pos[1]=[8.5 -1.6 2.1] dr=1.32 t=980.0ps kin=1.48 pot=20.35 Rg=7.013 SPS=1416
bl=0 pos[1]=[7.8 -3.2 1.0] dr=1.38 t=990.0ps kin=1.53 pot=20.31 Rg=7.011 SPS=1391
bl=0 pos[1]=[8.6 -2.2 2.4] dr=1.42 t=1000.0ps kin=1.44 pot=20.32 Rg=6.977 SPS=1259
bl=0 pos[1]=[5.2 -1.9 3.1] dr=1.41 t=1010.0ps kin=1.48 pot=20.29 Rg=6.877 SPS=1411
bl=0 pos[1]=[5.0 -1.6 3.6] dr=1.36 t=1020.0ps kin=1.48 pot=20.31 Rg=6.756 SPS=1384
bl=0 pos[1]=[4.1 -0.4 3.6] dr=1.40 t=1030.0ps kin=1.51 pot=20.28 Rg=6.700 SPS=1387
bl=0 pos[1]=[6.2 0.8 3.8] dr=1.40 t=1040.0ps kin=1.46 pot=20.37 Rg=6.642 SPS=1265
bl=0 pos[1]=[6.8 0.8 2.9] dr=1.35 t=1050.0ps kin=1.43 pot=20.24 Rg=6.724 SPS=1398
bl=0 pos[1]=[8.9 0.3 2.8] dr=1.35 t=1060.0ps kin=1.49 pot=20.29 Rg=6.724 SPS=1387
bl=0 pos[1]=[9.9 0.5 1.6] dr=1.35 t=1070.0ps kin=1.53 pot=20.31 Rg=6.733 SPS=1440
bl=0 pos[1]=[7.2 1.2 2.0] dr=1.38 t=1080.0ps kin=1.58 pot=20.29 Rg=6.645 SPS=1424
bl=0 pos[1]=[8.6 -1.4 3.7] dr=1.37 t=1090.0ps kin=1.51 pot=20.31 Rg=6.718 SPS=1426
bl=0 pos[1]=[9.8 -3.3 2.9] dr=1.35 t=1100.0ps kin=1.57 pot=20.34 Rg=6.719 SPS=1404
bl=0 pos[1]=[10.2 -2.1 3.4] dr=1.40 t=1110.0ps kin=1.46 pot=20.28 Rg=6.682 SPS=1394
bl=0 pos[1]=[7.0 0.8 2.9] dr=1.35 t=1120.0ps kin=1.45 pot=20.29 Rg=6.662 SPS=1312
bl=0 pos[1]=[7.9 -1.8 1.4] dr=1.31 t=1130.0ps kin=1.45 pot=20.28 Rg=6.642 SPS=1392
bl=0 pos[1]=[6.5 -1.4 2.5] dr=1.35 t=1140.0ps kin=1.50 pot=20.25 Rg=6.643 SPS=1031
bl=0 pos[1]=[5.3 -3.2 4.5] dr=1.30 t=1150.0ps kin=1.46 pot=20.27 Rg=6.659 SPS=760
bl=0 pos[1]=[5.5 -3.9 5.0] dr=1.30 t=1160.0ps kin=1.45 pot=20.25 Rg=6.683 SPS=1142
bl=0 pos[1]=[5.1 -3.5 4.2] dr=1.28 t=1170.0ps kin=1.47 pot=20.27 Rg=6.674 SPS=1400
bl=0 pos[1]=[7.6 -3.5 4.8] dr=1.34 t=1180.0ps kin=1.50 pot=20.29 Rg=6.706 SPS=1285
bl=0 pos[1]=[6.6 -1.5 4.6] dr=1.36 t=1190.0ps kin=1.45 pot=20.27 Rg=6.692 SPS=1063
bl=0 pos[1]=[8.0 -1.8 1.6] dr=1.37 t=1200.0ps kin=1.44 pot=20.30 Rg=6.672 SPS=1390
bl=0 pos[1]=[8.2 -4.1 0.7] dr=1.36 t=1210.0ps kin=1.52 pot=20.26 Rg=6.736 SPS=1230
bl=0 pos[1]=[9.9 -2.1 1.0] dr=1.39 t=1220.0ps kin=1.48 pot=20.35 Rg=6.719 SPS=1394
bl=0 pos[1]=[8.3 -1.1 -2.2] dr=1.43 t=1230.0ps kin=1.51 pot=20.32 Rg=6.709 SPS=1332
bl=0 pos[1]=[8.7 1.5 -1.7] dr=1.37 t=1240.0ps kin=1.48 pot=20.32 Rg=6.703 SPS=1053
bl=0 pos[1]=[5.7 0.4 -1.5] dr=1.31 t=1250.0ps kin=1.52 pot=20.27 Rg=6.662 SPS=759
bl=0 pos[1]=[6.2 -1.1 -0.1] dr=1.38 t=1260.0ps kin=1.54 pot=20.33 Rg=6.729 SPS=775
bl=0 pos[1]=[7.6 -0.8 -1.8] dr=1.41 t=1270.0ps kin=1.52 pot=20.31 Rg=6.766 SPS=1073
bl=0 pos[1]=[6.3 0.9 -2.4] dr=1.42 t=1280.0ps kin=1.47 pot=20.34 Rg=6.758 SPS=1325
bl=0 pos[1]=[7.5 0.7 -1.4] dr=1.40 t=1290.0ps kin=1.52 pot=20.29 Rg=6.768 SPS=1395
bl=0 pos[1]=[5.0 0.9 -1.0] dr=1.34 t=1300.0ps kin=1.49 pot=20.33 Rg=6.771 SPS=1387
bl=0 pos[1]=[5.7 1.7 -1.0] dr=1.38 t=1310.0ps kin=1.54 pot=20.34 Rg=6.896 SPS=1383
bl=0 pos[1]=[6.6 2.2 -2.1] dr=1.39 t=1320.0ps kin=1.55 pot=20.35 Rg=6.948 SPS=1398
bl=0 pos[1]=[6.2 0.8 -3.7] dr=1.40 t=1330.0ps kin=1.50 pot=20.30 Rg=6.893 SPS=1406
bl=0 pos[1]=[6.3 0.3 -2.6] dr=1.40 t=1340.0ps kin=1.52 pot=20.32 Rg=6.725 SPS=1383
bl=0 pos[1]=[7.0 0.7 -0.3] dr=1.41 t=1350.0ps kin=1.50 pot=20.34 Rg=6.690 SPS=1398
bl=0 pos[1]=[7.8 -0.5 -0.5] dr=1.40 t=1360.0ps kin=1.46 pot=20.32 Rg=6.808 SPS=1401
bl=0 pos[1]=[8.0 -0.9 -1.3] dr=1.40 t=1370.0ps kin=1.55 pot=20.29 Rg=6.698 SPS=1408
bl=0 pos[1]=[6.7 -0.1 -1.1] dr=1.37 t=1380.0ps kin=1.48 pot=20.30 Rg=6.720 SPS=1426
bl=0 pos[1]=[5.1 -0.8 -1.4] dr=1.34 t=1390.0ps kin=1.49 pot=20.25 Rg=6.756 SPS=1393
bl=0 pos[1]=[7.1 -0.7 -1.6] dr=1.27 t=1400.0ps kin=1.43 pot=20.24 Rg=6.757 SPS=1389
bl=0 pos[1]=[6.7 -0.2 -0.7] dr=1.36 t=1410.0ps kin=1.49 pot=20.23 Rg=6.615 SPS=1380
bl=0 pos[1]=[7.1 0.4 -0.0] dr=1.33 t=1420.0ps kin=1.53 pot=20.26 Rg=6.594 SPS=1396
bl=0 pos[1]=[6.9 0.7 -0.1] dr=1.43 t=1430.0ps kin=1.50 pot=20.31 Rg=6.681 SPS=1401
bl=0 pos[1]=[7.3 -0.2 -0.1] dr=1.38 t=1440.0ps kin=1.48 pot=20.28 Rg=6.674 SPS=1389
bl=0 pos[1]=[8.3 0.7 -0.7] dr=1.37 t=1450.0ps kin=1.48 pot=20.31 Rg=6.594 SPS=1400
bl=0 pos[1]=[8.0 0.4 -1.1] dr=1.31 t=1460.0ps kin=1.47 pot=20.25 Rg=6.649 SPS=1381
bl=0 pos[1]=[7.6 0.8 -1.8] dr=1.40 t=1470.0ps kin=1.51 pot=20.25 Rg=6.649 SPS=1382
bl=0 pos[1]=[9.0 0.5 -3.1] dr=1.38 t=1480.0ps kin=1.53 pot=20.27 Rg=6.607 SPS=1375
bl=0 pos[1]=[8.5 2.0 -2.6] dr=1.37 t=1490.0ps kin=1.50 pot=20.21 Rg=6.552 SPS=1381
bl=0 pos[1]=[7.3 3.6 -1.9] dr=1.38 t=1500.0ps kin=1.50 pot=20.30 Rg=6.558 SPS=1390
bl=0 pos[1]=[6.2 3.1 -2.7] dr=1.36 t=1510.0ps kin=1.51 pot=20.28 Rg=6.648 SPS=1385
bl=0 pos[1]=[7.9 4.7 -2.4] dr=1.39 t=1520.0ps kin=1.51 pot=20.26 Rg=6.617 SPS=1386
bl=0 pos[1]=[7.7 4.5 -3.2] dr=1.39 t=1530.0ps kin=1.50 pot=20.23 Rg=6.629 SPS=1408
bl=0 pos[1]=[9.1 4.5 -1.8] dr=1.36 t=1540.0ps kin=1.50 pot=20.30 Rg=6.658 SPS=1420
bl=0 pos[1]=[8.0 5.1 -2.2] dr=1.39 t=1550.0ps kin=1.53 pot=20.30 Rg=6.728 SPS=1405
bl=0 pos[1]=[8.1 5.1 -1.2] dr=1.37 t=1560.0ps kin=1.50 pot=20.31 Rg=6.713 SPS=1391
bl=0 pos[1]=[8.3 5.6 -1.0] dr=1.37 t=1570.0ps kin=1.54 pot=20.27 Rg=6.726 SPS=1390
bl=0 pos[1]=[8.6 7.1 -2.7] dr=1.39 t=1580.0ps kin=1.59 pot=20.27 Rg=6.766 SPS=1378
bl=0 pos[1]=[10.5 5.9 -3.2] dr=1.38 t=1590.0ps kin=1.51 pot=20.35 Rg=6.780 SPS=1386
bl=0 pos[1]=[10.2 6.2 -3.6] dr=1.35 t=1600.0ps kin=1.46 pot=20.33 Rg=6.834 SPS=1403
bl=0 pos[1]=[10.7 5.1 -5.5] dr=1.41 t=1610.0ps kin=1.49 pot=20.29 Rg=6.816 SPS=1384
bl=0 pos[1]=[10.8 6.2 -7.0] dr=1.34 t=1620.0ps kin=1.48 pot=20.30 Rg=6.750 SPS=1388
bl=0 pos[1]=[9.8 6.7 -8.6] dr=1.37 t=1630.0ps kin=1.47 pot=20.25 Rg=6.681 SPS=1397
bl=0 pos[1]=[9.0 7.1 -5.6] dr=1.40 t=1640.0ps kin=1.51 pot=20.30 Rg=6.656 SPS=1342
bl=0 pos[1]=[8.8 4.5 -4.7] dr=1.38 t=1650.0ps kin=1.46 pot=20.28 Rg=6.633 SPS=1190
bl=0 pos[1]=[9.2 3.3 -4.2] dr=1.38 t=1660.0ps kin=1.47 pot=20.25 Rg=6.592 SPS=1404
bl=0 pos[1]=[7.3 5.0 -3.5] dr=1.38 t=1670.0ps kin=1.52 pot=20.28 Rg=6.564 SPS=1393
bl=0 pos[1]=[7.1 4.5 -2.2] dr=1.40 t=1680.0ps kin=1.51 pot=20.26 Rg=6.597 SPS=1388
bl=0 pos[1]=[7.9 3.6 -1.3] dr=1.36 t=1690.0ps kin=1.54 pot=20.27 Rg=6.637 SPS=1406
bl=0 pos[1]=[7.9 0.7 -2.5] dr=1.42 t=1700.0ps kin=1.51 pot=20.30 Rg=6.601 SPS=1389
bl=0 pos[1]=[7.7 1.6 -4.3] dr=1.38 t=1710.0ps kin=1.52 pot=20.29 Rg=6.627 SPS=1429
bl=0 pos[1]=[6.7 1.8 -4.5] dr=1.38 t=1720.0ps kin=1.50 pot=20.27 Rg=6.603 SPS=1402
bl=0 pos[1]=[7.9 2.9 -6.7] dr=1.34 t=1730.0ps kin=1.45 pot=20.29 Rg=6.594 SPS=1051
bl=0 pos[1]=[6.6 2.8 -6.4] dr=1.36 t=1740.0ps kin=1.46 pot=20.22 Rg=6.540 SPS=1022
bl=0 pos[1]=[6.2 2.5 -5.0] dr=1.26 t=1750.0ps kin=1.48 pot=20.21 Rg=6.505 SPS=1176
bl=0 pos[1]=[6.7 2.4 -4.4] dr=1.30 t=1760.0ps kin=1.51 pot=20.25 Rg=6.530 SPS=782
bl=0 pos[1]=[7.5 1.5 -4.6] dr=1.34 t=1770.0ps kin=1.51 pot=20.28 Rg=6.534 SPS=1273
bl=0 pos[1]=[8.8 0.5 -5.9] dr=1.36 t=1780.0ps kin=1.46 pot=20.28 Rg=6.523 SPS=1252
bl=0 pos[1]=[9.1 -0.1 -4.4] dr=1.35 t=1790.0ps kin=1.41 pot=20.25 Rg=6.517 SPS=843
bl=0 pos[1]=[8.0 -2.5 -5.9] dr=1.33 t=1800.0ps kin=1.50 pot=20.22 Rg=6.524 SPS=868
bl=0 pos[1]=[7.5 -2.2 -6.8] dr=1.42 t=1810.0ps kin=1.52 pot=20.22 Rg=6.579 SPS=1368
bl=0 pos[1]=[8.0 -1.4 -6.4] dr=1.37 t=1820.0ps kin=1.52 pot=20.29 Rg=6.608 SPS=1304
bl=0 pos[1]=[7.4 -2.7 -7.2] dr=1.46 t=1830.0ps kin=1.50 pot=20.27 Rg=6.532 SPS=1142
bl=0 pos[1]=[6.0 -1.6 -7.6] dr=1.29 t=1840.0ps kin=1.50 pot=20.29 Rg=6.508 SPS=1250
bl=0 pos[1]=[7.7 -0.4 -8.8] dr=1.38 t=1850.0ps kin=1.49 pot=20.30 Rg=6.594 SPS=1347
bl=0 pos[1]=[7.1 -0.3 -12.1] dr=1.36 t=1860.0ps kin=1.45 pot=20.28 Rg=6.691 SPS=1187
bl=0 pos[1]=[4.4 -0.4 -10.7] dr=1.36 t=1870.0ps kin=1.48 pot=20.30 Rg=6.686 SPS=1278
bl=0 pos[1]=[4.0 -0.3 -9.2] dr=1.33 t=1880.0ps kin=1.49 pot=20.22 Rg=6.598 SPS=1336
bl=0 pos[1]=[4.4 -0.9 -9.1] dr=1.34 t=1890.0ps kin=1.48 pot=20.25 Rg=6.652 SPS=806
bl=0 pos[1]=[4.8 0.7 -10.7] dr=1.33 t=1900.0ps kin=1.44 pot=20.26 Rg=6.643 SPS=1347
bl=0 pos[1]=[6.9 0.4 -9.7] dr=1.37 t=1910.0ps kin=1.45 pot=20.28 Rg=6.585 SPS=1089
bl=0 pos[1]=[8.2 -0.2 -10.4] dr=1.33 t=1920.0ps kin=1.50 pot=20.29 Rg=6.626 SPS=1244
bl=0 pos[1]=[7.3 -0.6 -10.8] dr=1.34 t=1930.0ps kin=1.48 pot=20.32 Rg=6.741 SPS=1376
bl=0 pos[1]=[5.1 -0.5 -10.3] dr=1.35 t=1940.0ps kin=1.52 pot=20.28 Rg=6.826 SPS=1375
bl=0 pos[1]=[5.7 -0.5 -9.6] dr=1.42 t=1950.0ps kin=1.52 pot=20.24 Rg=6.728 SPS=969
bl=0 pos[1]=[6.3 -0.1 -9.9] dr=1.33 t=1960.0ps kin=1.49 pot=20.25 Rg=6.607 SPS=1051
bl=0 pos[1]=[6.1 0.9 -8.5] dr=1.35 t=1970.0ps kin=1.52 pot=20.27 Rg=6.621 SPS=1407
bl=0 pos[1]=[8.2 3.6 -9.2] dr=1.37 t=1980.0ps kin=1.56 pot=20.26 Rg=6.529 SPS=1420
bl=0 pos[1]=[11.0 2.5 -7.1] dr=1.32 t=1990.0ps kin=1.44 pot=20.30 Rg=6.587 SPS=1398
bl=0 pos[1]=[6.9 2.7 -6.0] dr=1.35 t=2000.0ps kin=1.51 pot=20.18 Rg=6.458 SPS=1423
[32]:
[<matplotlib.lines.Line2D at 0x7fafbd8baa00>]
It is time to remove the flat bottom constraint and include the spherical confinement mimicking the nuclear density.
[33]:
# Remove Flat initialized in Collapse
simulation_ic.removeFlatBottomHarmonic()
# Add a confinement potential with density=0.1 (volume fraction)
simulation_ic.addSphericalConfinementLJ()
[33]:
14.793027236438204
And create the IC optimization object.
[34]:
optimization_ic = CustomMiChroMTraining(ChromSeq="input/seq_chr10_100k.txt",
TypesTable='input/lambda_0',
IClist="input/lambda_IC_0",
dinit=3, dend=200)
The next step is to perform a long simulation to feed the optimization parameters.
In order to get a good inversion calcultation, it is important to have around \(1\times10^5\) frames from a certain amount of different replicas. For example, \(20\) replicas with \(5.000\) saved frames from each.
This can take some time, so in this tutorial we will use just 1 replica.
[35]:
block = 1000
n_blocks = 5000
for _ in range(n_blocks):
# perform 1 block of simulation
simulation_ic.runSimBlock(block, increment=True)
# feed the optimization with the last chromosome configuration
optimization_ic.prob_calculation_IC(simulation_ic.getPositions())
bl=1 pos[1]=[7.9 3.7 -5.5] dr=1.33 t=2010.0ps kin=1.49 pot=20.23 Rg=6.574 SPS=1206
bl=2 pos[1]=[8.8 2.8 -7.3] dr=1.36 t=2020.0ps kin=1.46 pot=20.26 Rg=6.637 SPS=1063
bl=3 pos[1]=[8.4 3.6 -6.0] dr=1.31 t=2030.0ps kin=1.48 pot=20.26 Rg=6.640 SPS=1382
bl=4 pos[1]=[9.2 4.1 -3.8] dr=1.35 t=2040.0ps kin=1.49 pot=20.30 Rg=6.629 SPS=1388
bl=5 pos[1]=[10.1 1.4 -3.4] dr=1.39 t=2050.0ps kin=1.51 pot=20.29 Rg=6.604 SPS=1381
bl=6 pos[1]=[9.2 1.0 -7.0] dr=1.38 t=2060.0ps kin=1.56 pot=20.27 Rg=6.499 SPS=1393
bl=7 pos[1]=[8.2 0.2 -5.9] dr=1.36 t=2070.0ps kin=1.51 pot=20.34 Rg=6.545 SPS=1418
bl=8 pos[1]=[8.6 -1.4 -5.2] dr=1.42 t=2080.0ps kin=1.53 pot=20.28 Rg=6.550 SPS=1396
bl=9 pos[1]=[10.7 -0.3 -2.4] dr=1.37 t=2090.0ps kin=1.50 pot=20.35 Rg=6.544 SPS=1391
bl=10 pos[1]=[9.0 -2.0 -2.4] dr=1.43 t=2100.0ps kin=1.52 pot=20.32 Rg=6.582 SPS=1133
bl=11 pos[1]=[7.3 -2.9 -3.2] dr=1.32 t=2110.0ps kin=1.51 pot=20.25 Rg=6.528 SPS=1402
bl=12 pos[1]=[9.6 -4.8 -3.5] dr=1.34 t=2120.0ps kin=1.45 pot=20.26 Rg=6.491 SPS=1244
bl=13 pos[1]=[9.0 -5.5 -4.2] dr=1.35 t=2130.0ps kin=1.44 pot=20.22 Rg=6.474 SPS=1419
bl=14 pos[1]=[7.5 -4.7 -1.8] dr=1.36 t=2140.0ps kin=1.47 pot=20.22 Rg=6.505 SPS=1423
bl=15 pos[1]=[8.6 -2.3 -0.5] dr=1.33 t=2150.0ps kin=1.52 pot=20.23 Rg=6.588 SPS=1394
bl=16 pos[1]=[8.5 -0.5 0.1] dr=1.34 t=2160.0ps kin=1.43 pot=20.26 Rg=6.542 SPS=1244
bl=17 pos[1]=[9.1 0.6 -1.2] dr=1.35 t=2170.0ps kin=1.54 pot=20.23 Rg=6.528 SPS=1332
bl=18 pos[1]=[7.9 1.6 -0.8] dr=1.43 t=2180.0ps kin=1.43 pot=20.34 Rg=6.549 SPS=1070
bl=19 pos[1]=[10.6 0.5 -1.4] dr=1.36 t=2190.0ps kin=1.52 pot=20.25 Rg=6.506 SPS=1360
bl=20 pos[1]=[9.6 1.5 -3.4] dr=1.33 t=2200.0ps kin=1.45 pot=20.31 Rg=6.531 SPS=1370
bl=21 pos[1]=[10.7 0.4 0.1] dr=1.30 t=2210.0ps kin=1.51 pot=20.32 Rg=6.563 SPS=1371
bl=22 pos[1]=[9.5 0.3 0.2] dr=1.36 t=2220.0ps kin=1.57 pot=20.27 Rg=6.461 SPS=1065
bl=23 pos[1]=[10.4 2.7 1.1] dr=1.42 t=2230.0ps kin=1.50 pot=20.28 Rg=6.573 SPS=1199
bl=24 pos[1]=[6.4 3.1 0.2] dr=1.36 t=2240.0ps kin=1.48 pot=20.28 Rg=6.563 SPS=1331
bl=25 pos[1]=[7.0 2.7 -1.7] dr=1.37 t=2250.0ps kin=1.51 pot=20.33 Rg=6.474 SPS=1376
bl=26 pos[1]=[5.8 3.8 0.1] dr=1.37 t=2260.0ps kin=1.50 pot=20.33 Rg=6.575 SPS=1375
bl=27 pos[1]=[7.8 3.5 -0.1] dr=1.37 t=2270.0ps kin=1.46 pot=20.34 Rg=6.599 SPS=1388
bl=28 pos[1]=[10.3 3.1 -1.3] dr=1.39 t=2280.0ps kin=1.50 pot=20.24 Rg=6.629 SPS=991
bl=29 pos[1]=[10.5 4.2 -1.0] dr=1.36 t=2290.0ps kin=1.50 pot=20.25 Rg=6.510 SPS=1065
bl=30 pos[1]=[12.0 2.6 -1.6] dr=1.36 t=2300.0ps kin=1.49 pot=20.24 Rg=6.576 SPS=1379
bl=31 pos[1]=[9.7 4.7 -0.7] dr=1.32 t=2310.0ps kin=1.48 pot=20.26 Rg=6.584 SPS=1388
bl=32 pos[1]=[11.3 5.0 -2.5] dr=1.35 t=2320.0ps kin=1.42 pot=20.33 Rg=6.584 SPS=1367
bl=33 pos[1]=[13.0 3.3 -2.7] dr=1.35 t=2330.0ps kin=1.50 pot=20.28 Rg=6.557 SPS=1384
bl=34 pos[1]=[11.9 3.9 -2.6] dr=1.39 t=2340.0ps kin=1.53 pot=20.23 Rg=6.515 SPS=1367
bl=35 pos[1]=[9.2 1.7 -1.0] dr=1.31 t=2350.0ps kin=1.53 pot=20.21 Rg=6.441 SPS=1387
bl=36 pos[1]=[9.9 2.9 -0.9] dr=1.35 t=2360.0ps kin=1.57 pot=20.17 Rg=6.433 SPS=1361
bl=37 pos[1]=[8.2 4.1 -1.7] dr=1.33 t=2370.0ps kin=1.51 pot=20.27 Rg=6.475 SPS=1380
bl=38 pos[1]=[7.8 5.1 -4.6] dr=1.33 t=2380.0ps kin=1.46 pot=20.20 Rg=6.460 SPS=1378
bl=39 pos[1]=[7.4 4.0 -5.6] dr=1.39 t=2390.0ps kin=1.44 pot=20.26 Rg=6.488 SPS=1378
bl=40 pos[1]=[6.8 4.1 -5.8] dr=1.32 t=2400.0ps kin=1.43 pot=20.24 Rg=6.443 SPS=1403
bl=41 pos[1]=[6.2 4.2 -5.3] dr=1.36 t=2410.0ps kin=1.46 pot=20.22 Rg=6.439 SPS=1383
bl=42 pos[1]=[7.1 4.4 -4.6] dr=1.32 t=2420.0ps kin=1.51 pot=20.23 Rg=6.421 SPS=1387
bl=43 pos[1]=[8.4 4.5 -3.3] dr=1.41 t=2430.0ps kin=1.56 pot=20.17 Rg=6.407 SPS=1371
bl=44 pos[1]=[7.8 3.2 -2.1] dr=1.39 t=2440.0ps kin=1.48 pot=20.25 Rg=6.457 SPS=1344
bl=45 pos[1]=[9.4 3.0 -2.7] dr=1.39 t=2450.0ps kin=1.50 pot=20.27 Rg=6.512 SPS=1381
bl=46 pos[1]=[7.1 3.9 2.6] dr=1.38 t=2460.0ps kin=1.49 pot=20.24 Rg=6.571 SPS=1377
bl=47 pos[1]=[10.0 4.2 3.2] dr=1.37 t=2470.0ps kin=1.52 pot=20.35 Rg=6.671 SPS=1375
bl=48 pos[1]=[8.2 5.9 0.6] dr=1.43 t=2480.0ps kin=1.51 pot=20.31 Rg=6.684 SPS=1346
bl=49 pos[1]=[8.9 8.0 1.0] dr=1.33 t=2490.0ps kin=1.49 pot=20.26 Rg=6.618 SPS=1370
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.40171428 0.24561424 -1.43078333] Rg = 6.6184006
median bond size is 0.9663569427505467
three shortest/longest (<10)/ bonds are [0.88961227 0.89087559 0.89166882] [1.07823865 1.08235988 1.08559403]
95 percentile of distance to center is: 9.495102001536408
density of closest 95% monomers is: 0.35924917704590903
density of the core monomers is: 0.6566670152723066
min/median/mean/max coordinates are:
x: -9.80, 0.47, 0.40, 9.98
y: -7.35, -0.01, 0.25, 12.68
z: -10.30, -1.21, -1.43, 5.61
Statistics for velocities:
mean kinetic energy is: 1.488619001615868 should be: 1.5
fastest particles are (in kT): [6.91205589 7.3947672 7.42521356 8.0942037 9.98246382]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.26386056185472
bl=50 pos[1]=[8.8 5.1 1.4] dr=1.35 t=2500.0ps kin=1.49 pot=20.23 Rg=6.622 SPS=1378
bl=51 pos[1]=[6.5 6.5 -1.6] dr=1.39 t=2510.0ps kin=1.45 pot=20.32 Rg=6.659 SPS=1379
bl=52 pos[1]=[6.9 6.9 1.4] dr=1.43 t=2520.0ps kin=1.53 pot=20.32 Rg=6.525 SPS=1408
bl=53 pos[1]=[7.5 7.8 -0.0] dr=1.40 t=2530.0ps kin=1.50 pot=20.32 Rg=6.517 SPS=1404
bl=54 pos[1]=[5.7 5.2 -1.9] dr=1.34 t=2540.0ps kin=1.51 pot=20.24 Rg=6.558 SPS=1377
bl=55 pos[1]=[5.4 5.2 -1.7] dr=1.35 t=2550.0ps kin=1.48 pot=20.22 Rg=6.545 SPS=1412
bl=56 pos[1]=[6.2 5.5 -3.2] dr=1.35 t=2560.0ps kin=1.50 pot=20.21 Rg=6.524 SPS=833
bl=57 pos[1]=[5.2 5.2 -2.6] dr=1.32 t=2570.0ps kin=1.45 pot=20.27 Rg=6.533 SPS=885
bl=58 pos[1]=[6.1 5.5 -2.8] dr=1.33 t=2580.0ps kin=1.47 pot=20.28 Rg=6.594 SPS=899
bl=59 pos[1]=[4.9 5.1 -3.9] dr=1.34 t=2590.0ps kin=1.55 pot=20.21 Rg=6.514 SPS=974
bl=60 pos[1]=[5.6 3.8 -3.3] dr=1.42 t=2600.0ps kin=1.52 pot=20.24 Rg=6.472 SPS=1007
bl=61 pos[1]=[5.5 4.1 -3.9] dr=1.42 t=2610.0ps kin=1.49 pot=20.30 Rg=6.520 SPS=1349
bl=62 pos[1]=[5.4 4.7 -2.3] dr=1.42 t=2620.0ps kin=1.50 pot=20.31 Rg=6.486 SPS=1382
bl=63 pos[1]=[5.1 4.5 -2.6] dr=1.33 t=2630.0ps kin=1.51 pot=20.20 Rg=6.482 SPS=1397
bl=64 pos[1]=[6.0 5.3 -3.5] dr=1.30 t=2640.0ps kin=1.51 pot=20.22 Rg=6.507 SPS=1387
bl=65 pos[1]=[3.7 6.8 -3.4] dr=1.36 t=2650.0ps kin=1.49 pot=20.25 Rg=6.423 SPS=1422
bl=66 pos[1]=[2.5 8.3 -2.1] dr=1.36 t=2660.0ps kin=1.49 pot=20.24 Rg=6.544 SPS=1266
bl=67 pos[1]=[3.9 7.0 -2.4] dr=1.33 t=2670.0ps kin=1.47 pot=20.23 Rg=6.594 SPS=1391
bl=68 pos[1]=[6.4 8.3 -1.9] dr=1.34 t=2680.0ps kin=1.52 pot=20.21 Rg=6.533 SPS=1405
bl=69 pos[1]=[5.9 9.9 -0.2] dr=1.30 t=2690.0ps kin=1.47 pot=20.24 Rg=6.536 SPS=1388
bl=70 pos[1]=[8.3 7.6 -0.2] dr=1.40 t=2700.0ps kin=1.45 pot=20.21 Rg=6.501 SPS=1386
bl=71 pos[1]=[7.4 5.9 -1.9] dr=1.41 t=2710.0ps kin=1.49 pot=20.25 Rg=6.513 SPS=1376
bl=72 pos[1]=[8.0 5.2 -0.7] dr=1.39 t=2720.0ps kin=1.54 pot=20.26 Rg=6.624 SPS=1415
bl=73 pos[1]=[8.1 4.7 -0.0] dr=1.41 t=2730.0ps kin=1.52 pot=20.32 Rg=6.673 SPS=1387
bl=74 pos[1]=[10.0 1.8 -0.4] dr=1.41 t=2740.0ps kin=1.49 pot=20.24 Rg=6.629 SPS=1368
bl=75 pos[1]=[11.4 1.8 -2.0] dr=1.37 t=2750.0ps kin=1.49 pot=20.30 Rg=6.615 SPS=1377
bl=76 pos[1]=[9.6 2.6 -0.8] dr=1.34 t=2760.0ps kin=1.56 pot=20.31 Rg=6.630 SPS=1381
bl=77 pos[1]=[11.9 3.0 -0.9] dr=1.39 t=2770.0ps kin=1.55 pot=20.31 Rg=6.585 SPS=1392
bl=78 pos[1]=[8.4 7.2 0.1] dr=1.40 t=2780.0ps kin=1.51 pot=20.33 Rg=6.537 SPS=1396
bl=79 pos[1]=[10.3 7.1 1.7] dr=1.36 t=2790.0ps kin=1.49 pot=20.29 Rg=6.555 SPS=1396
bl=80 pos[1]=[7.2 5.8 2.4] dr=1.33 t=2800.0ps kin=1.51 pot=20.27 Rg=6.435 SPS=1398
bl=81 pos[1]=[4.0 5.0 3.1] dr=1.32 t=2810.0ps kin=1.50 pot=20.29 Rg=6.477 SPS=1400
bl=82 pos[1]=[3.9 5.5 1.9] dr=1.38 t=2820.0ps kin=1.53 pot=20.30 Rg=6.518 SPS=1394
bl=83 pos[1]=[5.5 5.2 2.2] dr=1.33 t=2830.0ps kin=1.54 pot=20.27 Rg=6.509 SPS=1393
bl=84 pos[1]=[6.0 5.3 0.5] dr=1.33 t=2840.0ps kin=1.55 pot=20.26 Rg=6.502 SPS=1379
bl=85 pos[1]=[5.4 6.0 -0.2] dr=1.33 t=2850.0ps kin=1.50 pot=20.32 Rg=6.478 SPS=1379
bl=86 pos[1]=[4.6 4.5 0.3] dr=1.31 t=2860.0ps kin=1.54 pot=20.33 Rg=6.477 SPS=1351
bl=87 pos[1]=[3.5 5.4 0.2] dr=1.36 t=2870.0ps kin=1.52 pot=20.27 Rg=6.473 SPS=1297
bl=88 pos[1]=[3.7 6.5 1.4] dr=1.33 t=2880.0ps kin=1.52 pot=20.28 Rg=6.484 SPS=842
bl=89 pos[1]=[1.9 5.9 2.1] dr=1.32 t=2890.0ps kin=1.50 pot=20.22 Rg=6.476 SPS=1026
bl=90 pos[1]=[2.6 5.0 1.4] dr=1.42 t=2900.0ps kin=1.56 pot=20.28 Rg=6.524 SPS=1339
bl=91 pos[1]=[2.6 5.3 0.4] dr=1.35 t=2910.0ps kin=1.50 pot=20.34 Rg=6.573 SPS=1217
bl=92 pos[1]=[4.2 7.6 -0.3] dr=1.37 t=2920.0ps kin=1.47 pot=20.29 Rg=6.543 SPS=1392
bl=93 pos[1]=[4.6 9.1 -2.2] dr=1.36 t=2930.0ps kin=1.47 pot=20.29 Rg=6.489 SPS=1385
bl=94 pos[1]=[4.7 9.4 -1.5] dr=1.40 t=2940.0ps kin=1.51 pot=20.31 Rg=6.564 SPS=1405
bl=95 pos[1]=[3.2 7.4 1.1] dr=1.43 t=2950.0ps kin=1.49 pot=20.34 Rg=6.658 SPS=1383
bl=96 pos[1]=[2.9 6.1 2.3] dr=1.36 t=2960.0ps kin=1.51 pot=20.28 Rg=6.565 SPS=1377
bl=97 pos[1]=[2.5 5.9 3.7] dr=1.35 t=2970.0ps kin=1.47 pot=20.31 Rg=6.576 SPS=1392
bl=98 pos[1]=[1.2 5.2 3.1] dr=1.37 t=2980.0ps kin=1.50 pot=20.31 Rg=6.633 SPS=1373
bl=99 pos[1]=[2.1 6.7 3.4] dr=1.35 t=2990.0ps kin=1.46 pot=20.24 Rg=6.574 SPS=1382
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.02783823 -0.2396637 -1.75580749] Rg = 6.573706
median bond size is 0.9656646140689374
three shortest/longest (<10)/ bonds are [0.88289315 0.88657527 0.88704457] [1.06240734 1.06285791 1.07350314]
95 percentile of distance to center is: 9.58927623024465
density of closest 95% monomers is: 0.34876845543601365
density of the core monomers is: 0.7363579233312685
min/median/mean/max coordinates are:
x: -9.42, -0.18, 0.03, 12.34
y: -9.11, -0.38, -0.24, 10.79
z: -11.73, -1.90, -1.76, 6.50
Statistics for velocities:
mean kinetic energy is: 1.4650688593559886 should be: 1.5
fastest particles are (in kT): [6.94611203 7.24616327 7.74480828 7.84934242 8.10034158]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.24413774428466
bl=100 pos[1]=[1.9 6.1 2.5] dr=1.30 t=3000.0ps kin=1.54 pot=20.21 Rg=6.632 SPS=1362
bl=101 pos[1]=[2.6 5.2 2.0] dr=1.35 t=3010.0ps kin=1.52 pot=20.31 Rg=6.555 SPS=1374
bl=102 pos[1]=[4.5 5.1 2.4] dr=1.35 t=3020.0ps kin=1.57 pot=20.30 Rg=6.520 SPS=1350
bl=103 pos[1]=[5.1 3.3 1.7] dr=1.32 t=3030.0ps kin=1.50 pot=20.28 Rg=6.499 SPS=1395
bl=104 pos[1]=[4.4 7.0 1.2] dr=1.32 t=3040.0ps kin=1.54 pot=20.28 Rg=6.513 SPS=1388
bl=105 pos[1]=[6.1 7.7 0.8] dr=1.32 t=3050.0ps kin=1.52 pot=20.29 Rg=6.586 SPS=1381
bl=106 pos[1]=[3.2 7.8 2.7] dr=1.32 t=3060.0ps kin=1.48 pot=20.21 Rg=6.554 SPS=1405
bl=107 pos[1]=[2.4 5.2 2.9] dr=1.34 t=3070.0ps kin=1.50 pot=20.27 Rg=6.482 SPS=1379
bl=108 pos[1]=[2.6 4.1 3.9] dr=1.33 t=3080.0ps kin=1.48 pot=20.27 Rg=6.567 SPS=1369
bl=109 pos[1]=[2.2 6.8 2.6] dr=1.37 t=3090.0ps kin=1.50 pot=20.26 Rg=6.600 SPS=1382
bl=110 pos[1]=[1.5 6.7 0.4] dr=1.41 t=3100.0ps kin=1.47 pot=20.26 Rg=6.582 SPS=1298
bl=111 pos[1]=[2.7 6.3 1.5] dr=1.38 t=3110.0ps kin=1.51 pot=20.25 Rg=6.662 SPS=1369
bl=112 pos[1]=[0.6 6.7 2.4] dr=1.35 t=3120.0ps kin=1.48 pot=20.31 Rg=6.701 SPS=1376
bl=113 pos[1]=[2.8 5.2 2.3] dr=1.41 t=3130.0ps kin=1.52 pot=20.30 Rg=6.639 SPS=1399
bl=114 pos[1]=[1.9 3.8 1.9] dr=1.39 t=3140.0ps kin=1.48 pot=20.25 Rg=6.561 SPS=1389
bl=115 pos[1]=[4.3 4.6 2.3] dr=1.36 t=3150.0ps kin=1.50 pot=20.20 Rg=6.595 SPS=1395
bl=116 pos[1]=[3.7 3.6 1.3] dr=1.36 t=3160.0ps kin=1.55 pot=20.27 Rg=6.613 SPS=1406
bl=117 pos[1]=[4.3 5.6 0.2] dr=1.35 t=3170.0ps kin=1.48 pot=20.27 Rg=6.652 SPS=1398
bl=118 pos[1]=[5.1 4.4 -1.3] dr=1.40 t=3180.0ps kin=1.54 pot=20.30 Rg=6.698 SPS=1381
bl=119 pos[1]=[5.0 3.7 -2.2] dr=1.38 t=3190.0ps kin=1.52 pot=20.27 Rg=6.662 SPS=1333
bl=120 pos[1]=[6.6 3.9 -1.0] dr=1.33 t=3200.0ps kin=1.48 pot=20.26 Rg=6.629 SPS=1394
bl=121 pos[1]=[9.8 3.2 1.4] dr=1.41 t=3210.0ps kin=1.52 pot=20.26 Rg=6.620 SPS=1377
bl=122 pos[1]=[8.5 1.0 -0.0] dr=1.39 t=3220.0ps kin=1.46 pot=20.35 Rg=6.712 SPS=1400
bl=123 pos[1]=[10.0 1.2 0.2] dr=1.39 t=3230.0ps kin=1.46 pot=20.34 Rg=6.743 SPS=1316
bl=124 pos[1]=[9.5 3.2 -0.8] dr=1.39 t=3240.0ps kin=1.48 pot=20.31 Rg=6.772 SPS=1395
bl=125 pos[1]=[8.3 5.9 -0.2] dr=1.37 t=3250.0ps kin=1.49 pot=20.24 Rg=6.745 SPS=1303
bl=126 pos[1]=[7.7 7.0 -1.7] dr=1.42 t=3260.0ps kin=1.53 pot=20.24 Rg=6.675 SPS=1291
bl=127 pos[1]=[5.7 5.1 -2.5] dr=1.34 t=3270.0ps kin=1.50 pot=20.29 Rg=6.647 SPS=1127
bl=128 pos[1]=[7.2 4.1 -0.9] dr=1.42 t=3280.0ps kin=1.55 pot=20.28 Rg=6.599 SPS=1410
bl=129 pos[1]=[5.5 3.5 -0.3] dr=1.38 t=3290.0ps kin=1.50 pot=20.29 Rg=6.603 SPS=1375
bl=130 pos[1]=[7.1 2.2 0.6] dr=1.38 t=3300.0ps kin=1.50 pot=20.27 Rg=6.520 SPS=1221
bl=131 pos[1]=[10.1 1.9 0.9] dr=1.33 t=3310.0ps kin=1.52 pot=20.20 Rg=6.488 SPS=1377
bl=132 pos[1]=[9.1 -0.5 1.1] dr=1.34 t=3320.0ps kin=1.47 pot=20.26 Rg=6.609 SPS=1362
bl=133 pos[1]=[9.5 -0.9 -0.2] dr=1.36 t=3330.0ps kin=1.48 pot=20.31 Rg=6.643 SPS=1388
bl=134 pos[1]=[10.5 -0.8 0.3] dr=1.39 t=3340.0ps kin=1.53 pot=20.26 Rg=6.626 SPS=1380
bl=135 pos[1]=[9.6 1.1 -2.0] dr=1.38 t=3350.0ps kin=1.52 pot=20.24 Rg=6.519 SPS=1210
bl=136 pos[1]=[7.2 -0.5 -3.8] dr=1.32 t=3360.0ps kin=1.46 pot=20.23 Rg=6.475 SPS=855
bl=137 pos[1]=[10.2 -1.1 -3.2] dr=1.32 t=3370.0ps kin=1.49 pot=20.28 Rg=6.486 SPS=998
bl=138 pos[1]=[10.1 1.3 -5.5] dr=1.34 t=3380.0ps kin=1.50 pot=20.26 Rg=6.528 SPS=1194
bl=139 pos[1]=[10.1 2.1 -9.0] dr=1.40 t=3390.0ps kin=1.49 pot=20.33 Rg=6.551 SPS=1396
bl=140 pos[1]=[7.1 1.6 -10.4] dr=1.34 t=3400.0ps kin=1.43 pot=20.30 Rg=6.566 SPS=1391
bl=141 pos[1]=[7.7 0.3 -9.4] dr=1.30 t=3410.0ps kin=1.49 pot=20.32 Rg=6.566 SPS=1392
bl=142 pos[1]=[6.5 -0.9 -8.5] dr=1.36 t=3420.0ps kin=1.56 pot=20.25 Rg=6.587 SPS=1384
bl=143 pos[1]=[6.8 -1.2 -10.5] dr=1.37 t=3430.0ps kin=1.43 pot=20.31 Rg=6.622 SPS=1373
bl=144 pos[1]=[9.6 0.1 -7.9] dr=1.40 t=3440.0ps kin=1.55 pot=20.24 Rg=6.518 SPS=1398
bl=145 pos[1]=[9.6 0.4 -6.6] dr=1.33 t=3450.0ps kin=1.52 pot=20.25 Rg=6.606 SPS=1393
bl=146 pos[1]=[8.7 -1.9 -8.4] dr=1.35 t=3460.0ps kin=1.48 pot=20.25 Rg=6.580 SPS=1399
bl=147 pos[1]=[6.4 -2.4 -7.2] dr=1.30 t=3470.0ps kin=1.45 pot=20.21 Rg=6.519 SPS=1404
bl=148 pos[1]=[6.5 -2.4 -7.5] dr=1.38 t=3480.0ps kin=1.48 pot=20.27 Rg=6.534 SPS=1365
bl=149 pos[1]=[6.2 -4.0 -6.3] dr=1.32 t=3490.0ps kin=1.49 pot=20.20 Rg=6.460 SPS=1353
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.30694358 0.55664477 -2.23688774] Rg = 6.4599023
median bond size is 0.9640770699222512
three shortest/longest (<10)/ bonds are [0.88857498 0.88985382 0.892113 ] [1.06622799 1.07115687 1.08590042]
95 percentile of distance to center is: 9.187204519382075
density of closest 95% monomers is: 0.396592532135859
density of the core monomers is: 0.7763336615388959
min/median/mean/max coordinates are:
x: -8.83, 0.19, 0.31, 10.52
y: -8.96, 0.80, 0.56, 10.22
z: -10.00, -2.06, -2.24, 5.91
Statistics for velocities:
mean kinetic energy is: 1.4935745952510118 should be: 1.5
fastest particles are (in kT): [7.30733901 7.36539423 8.11930016 8.54262869 9.90782122]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.201039362094395
bl=150 pos[1]=[9.5 -5.3 -5.9] dr=1.36 t=3500.0ps kin=1.47 pot=20.32 Rg=6.541 SPS=1373
bl=151 pos[1]=[9.0 -3.7 -2.5] dr=1.37 t=3510.0ps kin=1.51 pot=20.28 Rg=6.447 SPS=1384
bl=152 pos[1]=[9.5 -2.1 -1.1] dr=1.37 t=3520.0ps kin=1.52 pot=20.27 Rg=6.409 SPS=1394
bl=153 pos[1]=[6.9 -5.3 0.1] dr=1.36 t=3530.0ps kin=1.50 pot=20.27 Rg=6.469 SPS=1377
bl=154 pos[1]=[5.9 -5.4 -0.5] dr=1.39 t=3540.0ps kin=1.53 pot=20.24 Rg=6.444 SPS=1389
bl=155 pos[1]=[7.0 -6.3 -0.1] dr=1.36 t=3550.0ps kin=1.54 pot=20.29 Rg=6.457 SPS=1378
bl=156 pos[1]=[8.5 -4.4 1.8] dr=1.30 t=3560.0ps kin=1.49 pot=20.32 Rg=6.456 SPS=1382
bl=157 pos[1]=[8.1 -3.2 0.7] dr=1.35 t=3570.0ps kin=1.45 pot=20.29 Rg=6.553 SPS=1383
bl=158 pos[1]=[9.7 -5.9 0.1] dr=1.35 t=3580.0ps kin=1.56 pot=20.33 Rg=6.543 SPS=1402
bl=159 pos[1]=[10.7 -6.0 1.1] dr=1.38 t=3590.0ps kin=1.50 pot=20.30 Rg=6.493 SPS=1413
bl=160 pos[1]=[8.7 -3.8 0.3] dr=1.39 t=3600.0ps kin=1.55 pot=20.33 Rg=6.520 SPS=1188
bl=161 pos[1]=[7.9 -4.3 3.1] dr=1.35 t=3610.0ps kin=1.56 pot=20.25 Rg=6.534 SPS=1390
bl=162 pos[1]=[7.5 -2.7 2.1] dr=1.35 t=3620.0ps kin=1.51 pot=20.25 Rg=6.560 SPS=1383
bl=163 pos[1]=[8.5 -4.1 -0.9] dr=1.34 t=3630.0ps kin=1.53 pot=20.24 Rg=6.549 SPS=1394
bl=164 pos[1]=[6.2 -2.5 -0.3] dr=1.33 t=3640.0ps kin=1.47 pot=20.23 Rg=6.461 SPS=1373
bl=165 pos[1]=[7.9 -2.1 -1.0] dr=1.34 t=3650.0ps kin=1.48 pot=20.27 Rg=6.469 SPS=1101
bl=166 pos[1]=[8.3 -1.0 -1.1] dr=1.28 t=3660.0ps kin=1.50 pot=20.29 Rg=6.494 SPS=890
bl=167 pos[1]=[6.8 -0.2 -0.1] dr=1.39 t=3670.0ps kin=1.53 pot=20.21 Rg=6.450 SPS=1234
bl=168 pos[1]=[7.7 0.1 0.8] dr=1.31 t=3680.0ps kin=1.50 pot=20.26 Rg=6.472 SPS=1139
bl=169 pos[1]=[7.5 0.3 0.9] dr=1.33 t=3690.0ps kin=1.52 pot=20.24 Rg=6.433 SPS=1158
bl=170 pos[1]=[8.4 -0.4 0.8] dr=1.31 t=3700.0ps kin=1.48 pot=20.26 Rg=6.540 SPS=1123
bl=171 pos[1]=[9.2 -0.1 0.9] dr=1.28 t=3710.0ps kin=1.51 pot=20.21 Rg=6.521 SPS=1096
bl=172 pos[1]=[8.5 -2.5 2.6] dr=1.34 t=3720.0ps kin=1.51 pot=20.25 Rg=6.441 SPS=1371
bl=173 pos[1]=[7.6 -2.8 0.8] dr=1.33 t=3730.0ps kin=1.48 pot=20.23 Rg=6.466 SPS=1397
bl=174 pos[1]=[6.9 -4.9 1.6] dr=1.41 t=3740.0ps kin=1.53 pot=20.28 Rg=6.415 SPS=994
bl=175 pos[1]=[5.5 -3.9 1.0] dr=1.40 t=3750.0ps kin=1.51 pot=20.31 Rg=6.502 SPS=1213
bl=176 pos[1]=[5.5 -2.9 0.9] dr=1.34 t=3760.0ps kin=1.49 pot=20.27 Rg=6.514 SPS=1375
bl=177 pos[1]=[7.2 -2.2 0.8] dr=1.37 t=3770.0ps kin=1.51 pot=20.26 Rg=6.383 SPS=1363
bl=178 pos[1]=[6.8 -4.5 -0.1] dr=1.34 t=3780.0ps kin=1.54 pot=20.27 Rg=6.374 SPS=1399
bl=179 pos[1]=[7.2 -4.5 -1.8] dr=1.34 t=3790.0ps kin=1.51 pot=20.25 Rg=6.439 SPS=1401
bl=180 pos[1]=[6.7 -4.9 -1.7] dr=1.37 t=3800.0ps kin=1.46 pot=20.25 Rg=6.439 SPS=1394
bl=181 pos[1]=[6.7 -5.1 -0.9] dr=1.34 t=3810.0ps kin=1.49 pot=20.27 Rg=6.535 SPS=1281
bl=182 pos[1]=[7.3 -3.7 -1.6] dr=1.33 t=3820.0ps kin=1.51 pot=20.28 Rg=6.513 SPS=1402
bl=183 pos[1]=[8.5 -3.7 -3.0] dr=1.36 t=3830.0ps kin=1.53 pot=20.26 Rg=6.554 SPS=1407
bl=184 pos[1]=[8.1 -3.1 -3.9] dr=1.36 t=3840.0ps kin=1.51 pot=20.29 Rg=6.518 SPS=1387
bl=185 pos[1]=[9.2 -4.0 -3.4] dr=1.34 t=3850.0ps kin=1.52 pot=20.28 Rg=6.471 SPS=1391
bl=186 pos[1]=[8.0 -1.7 -6.6] dr=1.27 t=3860.0ps kin=1.50 pot=20.30 Rg=6.497 SPS=1399
bl=187 pos[1]=[6.2 -0.5 -7.0] dr=1.31 t=3870.0ps kin=1.47 pot=20.33 Rg=6.453 SPS=1381
bl=188 pos[1]=[7.0 0.6 -6.5] dr=1.33 t=3880.0ps kin=1.52 pot=20.27 Rg=6.474 SPS=1354
bl=189 pos[1]=[9.9 -0.7 -5.1] dr=1.34 t=3890.0ps kin=1.45 pot=20.26 Rg=6.477 SPS=1401
bl=190 pos[1]=[8.9 -0.7 -5.1] dr=1.32 t=3900.0ps kin=1.52 pot=20.26 Rg=6.441 SPS=1365
bl=191 pos[1]=[8.7 -1.4 -5.3] dr=1.35 t=3910.0ps kin=1.48 pot=20.30 Rg=6.447 SPS=1367
bl=192 pos[1]=[7.9 -0.9 -8.8] dr=1.35 t=3920.0ps kin=1.48 pot=20.32 Rg=6.477 SPS=1363
bl=193 pos[1]=[6.9 -0.3 -8.6] dr=1.38 t=3930.0ps kin=1.47 pot=20.26 Rg=6.506 SPS=1398
bl=194 pos[1]=[5.2 -1.3 -5.1] dr=1.29 t=3940.0ps kin=1.43 pot=20.20 Rg=6.530 SPS=1395
bl=195 pos[1]=[7.3 1.2 -7.8] dr=1.42 t=3950.0ps kin=1.47 pot=20.19 Rg=6.477 SPS=1390
bl=196 pos[1]=[8.6 2.8 -4.4] dr=1.32 t=3960.0ps kin=1.44 pot=20.31 Rg=6.469 SPS=1385
bl=197 pos[1]=[9.2 3.5 -5.2] dr=1.38 t=3970.0ps kin=1.49 pot=20.26 Rg=6.459 SPS=1384
bl=198 pos[1]=[8.9 6.0 -5.1] dr=1.31 t=3980.0ps kin=1.49 pot=20.29 Rg=6.486 SPS=1377
bl=199 pos[1]=[7.2 3.4 -5.5] dr=1.34 t=3990.0ps kin=1.52 pot=20.27 Rg=6.510 SPS=1374
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.06710163 0.70234267 -0.92859802] Rg = 6.50979
median bond size is 0.9655446942319365
three shortest/longest (<10)/ bonds are [0.88752767 0.8891319 0.89173895] [1.08093033 1.08267529 1.09751503]
95 percentile of distance to center is: 9.033783594958981
density of closest 95% monomers is: 0.41714365024875966
density of the core monomers is: 0.6189881991446207
min/median/mean/max coordinates are:
x: -8.82, 0.24, 0.07, 10.05
y: -7.38, 0.67, 0.70, 10.24
z: -10.85, -0.79, -0.93, 7.65
Statistics for velocities:
mean kinetic energy is: 1.5230535128526046 should be: 1.5
fastest particles are (in kT): [6.19027971 6.37166674 6.40275063 7.61200942 8.83945313]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.26595340154867
bl=200 pos[1]=[7.3 3.8 -5.0] dr=1.33 t=4000.0ps kin=1.51 pot=20.25 Rg=6.466 SPS=1380
bl=201 pos[1]=[6.7 3.4 -7.8] dr=1.37 t=4010.0ps kin=1.54 pot=20.32 Rg=6.475 SPS=1388
bl=202 pos[1]=[5.7 1.7 -8.7] dr=1.37 t=4020.0ps kin=1.59 pot=20.31 Rg=6.550 SPS=1390
bl=203 pos[1]=[5.3 2.5 -6.2] dr=1.42 t=4030.0ps kin=1.52 pot=20.35 Rg=6.534 SPS=1380
bl=204 pos[1]=[5.6 1.2 -6.3] dr=1.37 t=4040.0ps kin=1.51 pot=20.22 Rg=6.455 SPS=1395
bl=205 pos[1]=[6.3 2.7 -4.9] dr=1.34 t=4050.0ps kin=1.49 pot=20.24 Rg=6.432 SPS=1405
bl=206 pos[1]=[7.2 3.2 -4.7] dr=1.35 t=4060.0ps kin=1.50 pot=20.31 Rg=6.435 SPS=1375
bl=207 pos[1]=[7.0 2.3 -5.8] dr=1.39 t=4070.0ps kin=1.53 pot=20.29 Rg=6.493 SPS=1384
bl=208 pos[1]=[6.6 0.5 -5.8] dr=1.35 t=4080.0ps kin=1.47 pot=20.25 Rg=6.423 SPS=1375
bl=209 pos[1]=[8.2 -2.7 -6.4] dr=1.33 t=4090.0ps kin=1.48 pot=20.24 Rg=6.470 SPS=1388
bl=210 pos[1]=[8.4 -2.3 -5.4] dr=1.37 t=4100.0ps kin=1.45 pot=20.30 Rg=6.553 SPS=1372
bl=211 pos[1]=[5.6 -0.3 -7.9] dr=1.37 t=4110.0ps kin=1.54 pot=20.29 Rg=6.580 SPS=1388
bl=212 pos[1]=[5.2 0.8 -6.3] dr=1.37 t=4120.0ps kin=1.50 pot=20.32 Rg=6.563 SPS=1376
bl=213 pos[1]=[5.5 0.8 -5.4] dr=1.34 t=4130.0ps kin=1.51 pot=20.25 Rg=6.506 SPS=1387
bl=214 pos[1]=[4.6 2.4 -7.3] dr=1.37 t=4140.0ps kin=1.51 pot=20.23 Rg=6.422 SPS=1371
bl=215 pos[1]=[4.6 2.5 -5.4] dr=1.42 t=4150.0ps kin=1.53 pot=20.26 Rg=6.575 SPS=1376
bl=216 pos[1]=[5.1 1.9 -4.9] dr=1.38 t=4160.0ps kin=1.50 pot=20.25 Rg=6.480 SPS=1309
bl=217 pos[1]=[7.1 2.3 -4.4] dr=1.30 t=4170.0ps kin=1.50 pot=20.26 Rg=6.440 SPS=1388
bl=218 pos[1]=[5.4 2.2 -4.3] dr=1.28 t=4180.0ps kin=1.52 pot=20.23 Rg=6.447 SPS=1384
bl=219 pos[1]=[5.3 0.4 -5.8] dr=1.32 t=4190.0ps kin=1.52 pot=20.17 Rg=6.451 SPS=1382
bl=220 pos[1]=[7.0 0.4 -5.4] dr=1.38 t=4200.0ps kin=1.52 pot=20.26 Rg=6.487 SPS=1275
bl=221 pos[1]=[7.5 0.4 -4.7] dr=1.38 t=4210.0ps kin=1.49 pot=20.27 Rg=6.605 SPS=1404
bl=222 pos[1]=[6.4 3.0 -5.9] dr=1.36 t=4220.0ps kin=1.50 pot=20.25 Rg=6.571 SPS=1409
bl=223 pos[1]=[5.3 3.9 -5.8] dr=1.32 t=4230.0ps kin=1.46 pot=20.29 Rg=6.549 SPS=1203
bl=224 pos[1]=[6.6 3.2 -6.2] dr=1.33 t=4240.0ps kin=1.52 pot=20.30 Rg=6.547 SPS=1373
bl=225 pos[1]=[9.7 1.5 -2.8] dr=1.40 t=4250.0ps kin=1.56 pot=20.34 Rg=6.513 SPS=1390
bl=226 pos[1]=[9.1 2.8 -1.4] dr=1.40 t=4260.0ps kin=1.52 pot=20.29 Rg=6.505 SPS=1385
bl=227 pos[1]=[9.0 2.2 -0.0] dr=1.35 t=4270.0ps kin=1.44 pot=20.32 Rg=6.499 SPS=1102
bl=228 pos[1]=[8.1 2.5 1.0] dr=1.38 t=4280.0ps kin=1.48 pot=20.29 Rg=6.453 SPS=1381
bl=229 pos[1]=[9.3 2.4 -0.1] dr=1.31 t=4290.0ps kin=1.48 pot=20.24 Rg=6.465 SPS=893
bl=230 pos[1]=[10.2 -0.6 0.5] dr=1.33 t=4300.0ps kin=1.48 pot=20.26 Rg=6.392 SPS=1175
bl=231 pos[1]=[8.1 -1.5 1.1] dr=1.29 t=4310.0ps kin=1.47 pot=20.21 Rg=6.364 SPS=1107
bl=232 pos[1]=[7.3 -0.6 1.4] dr=1.37 t=4320.0ps kin=1.46 pot=20.22 Rg=6.464 SPS=1150
bl=233 pos[1]=[6.1 -3.3 -0.1] dr=1.36 t=4330.0ps kin=1.53 pot=20.26 Rg=6.413 SPS=1184
bl=234 pos[1]=[7.7 -4.8 0.9] dr=1.29 t=4340.0ps kin=1.53 pot=20.26 Rg=6.446 SPS=1356
bl=235 pos[1]=[7.4 -5.7 -0.5] dr=1.35 t=4350.0ps kin=1.51 pot=20.24 Rg=6.383 SPS=1370
bl=236 pos[1]=[5.4 -3.8 -1.4] dr=1.33 t=4360.0ps kin=1.49 pot=20.28 Rg=6.445 SPS=1147
bl=237 pos[1]=[4.4 -4.6 -0.1] dr=1.44 t=4370.0ps kin=1.56 pot=20.30 Rg=6.444 SPS=1380
bl=238 pos[1]=[5.1 -5.6 -0.5] dr=1.35 t=4380.0ps kin=1.55 pot=20.28 Rg=6.347 SPS=1228
bl=239 pos[1]=[6.2 -5.7 -2.2] dr=1.38 t=4390.0ps kin=1.54 pot=20.35 Rg=6.382 SPS=1314
bl=240 pos[1]=[4.3 -6.0 -2.4] dr=1.38 t=4400.0ps kin=1.54 pot=20.25 Rg=6.470 SPS=1388
bl=241 pos[1]=[4.1 -5.0 -3.1] dr=1.37 t=4410.0ps kin=1.47 pot=20.31 Rg=6.521 SPS=1382
bl=242 pos[1]=[5.8 -6.6 -4.9] dr=1.41 t=4420.0ps kin=1.52 pot=20.24 Rg=6.465 SPS=1425
bl=243 pos[1]=[5.0 -3.1 -4.4] dr=1.40 t=4430.0ps kin=1.47 pot=20.28 Rg=6.372 SPS=1407
bl=244 pos[1]=[6.1 -2.7 -4.7] dr=1.35 t=4440.0ps kin=1.52 pot=20.23 Rg=6.384 SPS=1379
bl=245 pos[1]=[6.3 -2.0 -3.8] dr=1.33 t=4450.0ps kin=1.51 pot=20.21 Rg=6.421 SPS=1375
bl=246 pos[1]=[6.6 -1.6 -4.9] dr=1.31 t=4460.0ps kin=1.50 pot=20.24 Rg=6.394 SPS=1349
bl=247 pos[1]=[8.4 0.2 -4.1] dr=1.25 t=4470.0ps kin=1.47 pot=20.26 Rg=6.343 SPS=1187
bl=248 pos[1]=[6.8 1.7 -4.5] dr=1.33 t=4480.0ps kin=1.53 pot=20.27 Rg=6.433 SPS=1381
bl=249 pos[1]=[7.9 0.7 -3.7] dr=1.38 t=4490.0ps kin=1.50 pot=20.35 Rg=6.423 SPS=1400
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.69850209 1.19472994 -0.18068937] Rg = 6.423224
median bond size is 0.9665906404392098
three shortest/longest (<10)/ bonds are [0.87855702 0.88010157 0.88851037] [1.07880964 1.09383045 1.10022795]
95 percentile of distance to center is: 8.979732818663205
density of closest 95% monomers is: 0.4247216902625545
density of the core monomers is: 0.73576550413928
min/median/mean/max coordinates are:
x: -9.61, 0.46, 0.70, 10.77
y: -8.26, 1.17, 1.19, 9.26
z: -7.92, -0.36, -0.18, 8.96
Statistics for velocities:
mean kinetic energy is: 1.4966055203349986 should be: 1.5
fastest particles are (in kT): [7.12951561 7.35891849 8.61518662 8.99840872 9.85500277]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.346616311762535
bl=250 pos[1]=[6.9 2.3 -3.8] dr=1.32 t=4500.0ps kin=1.49 pot=20.16 Rg=6.396 SPS=1129
bl=251 pos[1]=[7.7 1.2 -4.4] dr=1.37 t=4510.0ps kin=1.49 pot=20.24 Rg=6.371 SPS=1385
bl=252 pos[1]=[7.9 0.9 -5.9] dr=1.32 t=4520.0ps kin=1.44 pot=20.29 Rg=6.375 SPS=1383
bl=253 pos[1]=[8.1 -0.6 -3.9] dr=1.35 t=4530.0ps kin=1.43 pot=20.30 Rg=6.484 SPS=974
bl=254 pos[1]=[9.3 1.8 -4.7] dr=1.37 t=4540.0ps kin=1.50 pot=20.20 Rg=6.406 SPS=1168
bl=255 pos[1]=[9.4 1.1 -6.0] dr=1.25 t=4550.0ps kin=1.51 pot=20.24 Rg=6.389 SPS=1013
bl=256 pos[1]=[7.3 1.9 -5.3] dr=1.41 t=4560.0ps kin=1.49 pot=20.25 Rg=6.486 SPS=1029
bl=257 pos[1]=[7.2 -0.1 -8.1] dr=1.36 t=4570.0ps kin=1.51 pot=20.26 Rg=6.455 SPS=1375
bl=258 pos[1]=[9.2 -3.4 -7.4] dr=1.29 t=4580.0ps kin=1.48 pot=20.25 Rg=6.414 SPS=1302
bl=259 pos[1]=[9.7 -5.3 -9.1] dr=1.31 t=4590.0ps kin=1.53 pot=20.27 Rg=6.463 SPS=1370
bl=260 pos[1]=[8.0 -4.8 -9.6] dr=1.36 t=4600.0ps kin=1.47 pot=20.41 Rg=6.570 SPS=1242
bl=261 pos[1]=[8.0 -4.8 -7.6] dr=1.37 t=4610.0ps kin=1.50 pot=20.26 Rg=6.541 SPS=1365
bl=262 pos[1]=[10.3 -4.2 -6.8] dr=1.41 t=4620.0ps kin=1.50 pot=20.28 Rg=6.502 SPS=1273
bl=263 pos[1]=[11.1 0.5 -7.5] dr=1.35 t=4630.0ps kin=1.48 pot=20.25 Rg=6.458 SPS=1071
bl=264 pos[1]=[9.5 -0.1 -6.4] dr=1.37 t=4640.0ps kin=1.55 pot=20.24 Rg=6.483 SPS=1263
bl=265 pos[1]=[9.0 -0.0 -7.4] dr=1.34 t=4650.0ps kin=1.56 pot=20.29 Rg=6.527 SPS=1274
bl=266 pos[1]=[9.7 1.3 -9.4] dr=1.37 t=4660.0ps kin=1.48 pot=20.26 Rg=6.507 SPS=1382
bl=267 pos[1]=[9.7 4.2 -6.5] dr=1.31 t=4670.0ps kin=1.44 pot=20.27 Rg=6.504 SPS=1396
bl=268 pos[1]=[10.1 1.9 -7.1] dr=1.33 t=4680.0ps kin=1.56 pot=20.31 Rg=6.470 SPS=1403
bl=269 pos[1]=[9.8 1.3 -9.9] dr=1.39 t=4690.0ps kin=1.53 pot=20.36 Rg=6.547 SPS=1373
bl=270 pos[1]=[6.9 -1.9 -7.5] dr=1.37 t=4700.0ps kin=1.55 pot=20.30 Rg=6.534 SPS=1385
bl=271 pos[1]=[6.7 -1.1 -5.7] dr=1.37 t=4710.0ps kin=1.52 pot=20.31 Rg=6.574 SPS=1334
bl=272 pos[1]=[6.0 -2.7 -5.5] dr=1.39 t=4720.0ps kin=1.47 pot=20.33 Rg=6.592 SPS=1349
bl=273 pos[1]=[5.9 -5.9 -4.7] dr=1.36 t=4730.0ps kin=1.55 pot=20.26 Rg=6.581 SPS=1243
bl=274 pos[1]=[4.9 -3.4 -6.7] dr=1.34 t=4740.0ps kin=1.53 pot=20.27 Rg=6.492 SPS=1393
bl=275 pos[1]=[5.6 -3.5 -3.4] dr=1.35 t=4750.0ps kin=1.55 pot=20.24 Rg=6.452 SPS=1385
bl=276 pos[1]=[3.6 -3.7 -3.7] dr=1.39 t=4760.0ps kin=1.55 pot=20.31 Rg=6.477 SPS=1351
bl=277 pos[1]=[4.0 -5.7 -5.5] dr=1.44 t=4770.0ps kin=1.51 pot=20.32 Rg=6.587 SPS=1131
bl=278 pos[1]=[7.0 -5.6 -7.6] dr=1.41 t=4780.0ps kin=1.53 pot=20.29 Rg=6.485 SPS=1371
bl=279 pos[1]=[8.6 -4.6 -7.2] dr=1.33 t=4790.0ps kin=1.53 pot=20.29 Rg=6.545 SPS=1153
bl=280 pos[1]=[8.6 -2.2 -6.5] dr=1.37 t=4800.0ps kin=1.51 pot=20.31 Rg=6.592 SPS=1063
bl=281 pos[1]=[6.9 0.4 -7.3] dr=1.40 t=4810.0ps kin=1.46 pot=20.37 Rg=6.606 SPS=1189
bl=282 pos[1]=[6.9 0.5 -6.0] dr=1.36 t=4820.0ps kin=1.49 pot=20.31 Rg=6.580 SPS=1165
bl=283 pos[1]=[9.0 -0.3 -5.1] dr=1.36 t=4830.0ps kin=1.52 pot=20.26 Rg=6.513 SPS=1309
bl=284 pos[1]=[9.3 -0.5 -3.4] dr=1.39 t=4840.0ps kin=1.48 pot=20.30 Rg=6.527 SPS=1383
bl=285 pos[1]=[9.1 -0.5 -4.2] dr=1.34 t=4850.0ps kin=1.50 pot=20.29 Rg=6.466 SPS=1385
bl=286 pos[1]=[10.1 -1.8 -3.6] dr=1.36 t=4860.0ps kin=1.48 pot=20.22 Rg=6.496 SPS=1199
bl=287 pos[1]=[7.3 -4.8 -2.5] dr=1.38 t=4870.0ps kin=1.53 pot=20.22 Rg=6.481 SPS=1377
bl=288 pos[1]=[8.6 -3.7 -0.8] dr=1.36 t=4880.0ps kin=1.50 pot=20.29 Rg=6.419 SPS=1273
bl=289 pos[1]=[8.8 -4.0 -1.7] dr=1.37 t=4890.0ps kin=1.56 pot=20.23 Rg=6.435 SPS=963
bl=290 pos[1]=[8.9 -3.1 -2.7] dr=1.37 t=4900.0ps kin=1.52 pot=20.24 Rg=6.418 SPS=1228
bl=291 pos[1]=[8.4 -2.6 -2.3] dr=1.31 t=4910.0ps kin=1.52 pot=20.23 Rg=6.288 SPS=1129
bl=292 pos[1]=[5.3 -3.2 -2.6] dr=1.35 t=4920.0ps kin=1.53 pot=20.25 Rg=6.275 SPS=1322
bl=293 pos[1]=[6.0 -2.3 -4.7] dr=1.32 t=4930.0ps kin=1.52 pot=20.26 Rg=6.369 SPS=1157
bl=294 pos[1]=[7.0 -3.1 -4.3] dr=1.32 t=4940.0ps kin=1.50 pot=20.28 Rg=6.415 SPS=1375
bl=295 pos[1]=[7.2 -3.0 -5.1] dr=1.36 t=4950.0ps kin=1.50 pot=20.24 Rg=6.444 SPS=947
bl=296 pos[1]=[5.1 -1.3 -5.1] dr=1.31 t=4960.0ps kin=1.48 pot=20.17 Rg=6.462 SPS=1357
bl=297 pos[1]=[5.8 -1.8 -5.9] dr=1.37 t=4970.0ps kin=1.54 pot=20.22 Rg=6.449 SPS=1231
bl=298 pos[1]=[6.2 -2.4 -6.0] dr=1.31 t=4980.0ps kin=1.48 pot=20.27 Rg=6.513 SPS=1226
bl=299 pos[1]=[5.1 0.1 -5.6] dr=1.35 t=4990.0ps kin=1.48 pot=20.25 Rg=6.473 SPS=1145
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.19291987 1.06011581 -0.87593999] Rg = 6.472816
median bond size is 0.9647833958360824
three shortest/longest (<10)/ bonds are [0.88023738 0.88802372 0.8894059 ] [1.0785222 1.08726461 1.12117938]
95 percentile of distance to center is: 8.98547464200362
density of closest 95% monomers is: 0.423908004063337
density of the core monomers is: 0.7745920257622524
min/median/mean/max coordinates are:
x: -9.03, 0.18, 0.19, 10.02
y: -8.03, 1.14, 1.06, 9.92
z: -10.09, -0.80, -0.88, 7.95
Statistics for velocities:
mean kinetic energy is: 1.4848310007193428 should be: 1.5
fastest particles are (in kT): [6.71630405 7.00089839 7.36100382 7.44640244 7.6854757 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.254822317477874
bl=300 pos[1]=[6.2 1.1 -4.5] dr=1.38 t=5000.0ps kin=1.49 pot=20.22 Rg=6.389 SPS=745
bl=301 pos[1]=[5.9 1.7 -3.8] dr=1.33 t=5010.0ps kin=1.53 pot=20.27 Rg=6.417 SPS=1378
bl=302 pos[1]=[6.2 1.2 -2.4] dr=1.40 t=5020.0ps kin=1.50 pot=20.28 Rg=6.453 SPS=941
bl=303 pos[1]=[6.7 0.9 -3.5] dr=1.38 t=5030.0ps kin=1.55 pot=20.27 Rg=6.441 SPS=780
bl=304 pos[1]=[7.1 0.6 -3.5] dr=1.31 t=5040.0ps kin=1.50 pot=20.25 Rg=6.446 SPS=1037
bl=305 pos[1]=[7.1 0.6 -7.5] dr=1.36 t=5050.0ps kin=1.51 pot=20.26 Rg=6.461 SPS=1117
bl=306 pos[1]=[6.4 1.3 -6.1] dr=1.37 t=5060.0ps kin=1.53 pot=20.22 Rg=6.412 SPS=1165
bl=307 pos[1]=[6.5 1.3 -5.4] dr=1.34 t=5070.0ps kin=1.52 pot=20.27 Rg=6.499 SPS=1232
bl=308 pos[1]=[6.5 1.1 -5.7] dr=1.35 t=5080.0ps kin=1.47 pot=20.35 Rg=6.561 SPS=1232
bl=309 pos[1]=[7.3 2.3 -6.7] dr=1.38 t=5090.0ps kin=1.52 pot=20.27 Rg=6.597 SPS=1288
bl=310 pos[1]=[5.9 0.7 -7.3] dr=1.40 t=5100.0ps kin=1.45 pot=20.25 Rg=6.512 SPS=1122
bl=311 pos[1]=[5.2 -0.3 -5.3] dr=1.30 t=5110.0ps kin=1.54 pot=20.20 Rg=6.449 SPS=1059
bl=312 pos[1]=[3.6 -0.4 -5.3] dr=1.30 t=5120.0ps kin=1.46 pot=20.21 Rg=6.467 SPS=1089
bl=313 pos[1]=[6.4 -0.2 -5.4] dr=1.36 t=5130.0ps kin=1.49 pot=20.26 Rg=6.536 SPS=1268
bl=314 pos[1]=[7.1 -0.0 -3.9] dr=1.36 t=5140.0ps kin=1.53 pot=20.29 Rg=6.614 SPS=1341
bl=315 pos[1]=[7.8 0.5 -2.5] dr=1.33 t=5150.0ps kin=1.57 pot=20.31 Rg=6.594 SPS=1351
bl=316 pos[1]=[8.0 0.0 -1.3] dr=1.42 t=5160.0ps kin=1.49 pot=20.27 Rg=6.654 SPS=1413
bl=317 pos[1]=[7.3 0.2 -1.1] dr=1.33 t=5170.0ps kin=1.46 pot=20.21 Rg=6.613 SPS=1410
bl=318 pos[1]=[6.8 0.6 -1.3] dr=1.41 t=5180.0ps kin=1.46 pot=20.29 Rg=6.694 SPS=1209
bl=319 pos[1]=[6.4 -0.1 -1.4] dr=1.35 t=5190.0ps kin=1.51 pot=20.33 Rg=6.635 SPS=1403
bl=320 pos[1]=[6.3 0.6 -2.0] dr=1.35 t=5200.0ps kin=1.56 pot=20.28 Rg=6.667 SPS=1134
bl=321 pos[1]=[6.9 -0.8 -2.3] dr=1.35 t=5210.0ps kin=1.49 pot=20.32 Rg=6.646 SPS=1244
bl=322 pos[1]=[8.2 -2.4 -3.4] dr=1.32 t=5220.0ps kin=1.49 pot=20.28 Rg=6.687 SPS=1380
bl=323 pos[1]=[7.7 -1.9 -2.8] dr=1.37 t=5230.0ps kin=1.51 pot=20.27 Rg=6.677 SPS=1386
bl=324 pos[1]=[8.3 -1.5 -4.7] dr=1.30 t=5240.0ps kin=1.46 pot=20.24 Rg=6.585 SPS=1210
bl=325 pos[1]=[8.3 -0.6 -3.8] dr=1.37 t=5250.0ps kin=1.45 pot=20.22 Rg=6.598 SPS=1231
bl=326 pos[1]=[9.7 1.2 -5.4] dr=1.35 t=5260.0ps kin=1.48 pot=20.23 Rg=6.555 SPS=1394
bl=327 pos[1]=[7.8 4.2 -7.1] dr=1.30 t=5270.0ps kin=1.50 pot=20.21 Rg=6.496 SPS=1368
bl=328 pos[1]=[6.5 5.0 -5.1] dr=1.38 t=5280.0ps kin=1.47 pot=20.22 Rg=6.498 SPS=969
bl=329 pos[1]=[5.7 4.8 -5.3] dr=1.34 t=5290.0ps kin=1.56 pot=20.26 Rg=6.506 SPS=1037
bl=330 pos[1]=[4.4 6.2 -5.5] dr=1.36 t=5300.0ps kin=1.51 pot=20.26 Rg=6.557 SPS=1318
bl=331 pos[1]=[5.2 6.7 -5.8] dr=1.36 t=5310.0ps kin=1.50 pot=20.28 Rg=6.588 SPS=1298
bl=332 pos[1]=[6.3 4.4 -5.4] dr=1.38 t=5320.0ps kin=1.56 pot=20.35 Rg=6.595 SPS=1205
bl=333 pos[1]=[6.9 2.9 -3.9] dr=1.40 t=5330.0ps kin=1.58 pot=20.27 Rg=6.608 SPS=1237
bl=334 pos[1]=[7.0 2.6 -4.2] dr=1.40 t=5340.0ps kin=1.50 pot=20.34 Rg=6.574 SPS=972
bl=335 pos[1]=[8.2 2.7 -4.2] dr=1.29 t=5350.0ps kin=1.46 pot=20.32 Rg=6.595 SPS=1079
bl=336 pos[1]=[8.8 3.1 -3.9] dr=1.35 t=5360.0ps kin=1.50 pot=20.26 Rg=6.536 SPS=1116
bl=337 pos[1]=[6.8 2.4 -6.9] dr=1.38 t=5370.0ps kin=1.53 pot=20.25 Rg=6.511 SPS=1103
bl=338 pos[1]=[6.5 4.1 -4.5] dr=1.33 t=5380.0ps kin=1.49 pot=20.31 Rg=6.517 SPS=1022
bl=339 pos[1]=[6.7 2.5 -3.0] dr=1.39 t=5390.0ps kin=1.49 pot=20.29 Rg=6.451 SPS=1189
bl=340 pos[1]=[8.0 4.6 -2.6] dr=1.38 t=5400.0ps kin=1.54 pot=20.28 Rg=6.364 SPS=1343
bl=341 pos[1]=[9.4 4.3 -2.4] dr=1.37 t=5410.0ps kin=1.49 pot=20.26 Rg=6.460 SPS=1238
bl=342 pos[1]=[8.2 3.5 -3.0] dr=1.35 t=5420.0ps kin=1.54 pot=20.24 Rg=6.495 SPS=1310
bl=343 pos[1]=[7.7 4.1 -5.4] dr=1.34 t=5430.0ps kin=1.51 pot=20.27 Rg=6.428 SPS=1325
bl=344 pos[1]=[7.3 3.5 -5.2] dr=1.33 t=5440.0ps kin=1.56 pot=20.24 Rg=6.454 SPS=1312
bl=345 pos[1]=[6.8 5.8 -6.4] dr=1.35 t=5450.0ps kin=1.57 pot=20.25 Rg=6.510 SPS=1255
bl=346 pos[1]=[7.8 2.9 -4.2] dr=1.45 t=5460.0ps kin=1.58 pot=20.25 Rg=6.540 SPS=1331
bl=347 pos[1]=[9.7 3.2 -5.0] dr=1.38 t=5470.0ps kin=1.48 pot=20.30 Rg=6.594 SPS=1373
bl=348 pos[1]=[8.5 2.2 -4.7] dr=1.35 t=5480.0ps kin=1.52 pot=20.27 Rg=6.529 SPS=1376
bl=349 pos[1]=[6.9 6.1 -6.2] dr=1.32 t=5490.0ps kin=1.49 pot=20.29 Rg=6.566 SPS=1281
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.35659364 -0.31223171 -1.09936963] Rg = 6.5662117
median bond size is 0.9635034971115393
three shortest/longest (<10)/ bonds are [0.87347256 0.89020877 0.89205652] [1.0750906 1.07567313 1.08907483]
95 percentile of distance to center is: 9.327891043056006
density of closest 95% monomers is: 0.378917175944567
density of the core monomers is: 0.6858294532128317
min/median/mean/max coordinates are:
x: -10.14, 0.58, 0.36, 9.12
y: -9.99, -0.39, -0.31, 9.68
z: -9.78, -1.11, -1.10, 7.06
Statistics for velocities:
mean kinetic energy is: 1.4990414624422566 should be: 1.5
fastest particles are (in kT): [6.01476606 6.07032248 6.44542112 6.6874962 9.05519598]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.293176161504423
bl=350 pos[1]=[2.4 4.8 -7.1] dr=1.39 t=5500.0ps kin=1.51 pot=20.24 Rg=6.538 SPS=1290
bl=351 pos[1]=[1.0 3.7 -6.9] dr=1.31 t=5510.0ps kin=1.51 pot=20.27 Rg=6.560 SPS=1312
bl=352 pos[1]=[1.2 3.5 -7.1] dr=1.35 t=5520.0ps kin=1.55 pot=20.24 Rg=6.490 SPS=1303
bl=353 pos[1]=[1.9 5.2 -6.2] dr=1.44 t=5530.0ps kin=1.52 pot=20.27 Rg=6.556 SPS=1351
bl=354 pos[1]=[2.8 5.1 -4.9] dr=1.32 t=5540.0ps kin=1.46 pot=20.22 Rg=6.552 SPS=1393
bl=355 pos[1]=[3.5 5.0 -5.5] dr=1.35 t=5550.0ps kin=1.45 pot=20.26 Rg=6.573 SPS=1261
bl=356 pos[1]=[4.2 5.2 -4.8] dr=1.35 t=5560.0ps kin=1.50 pot=20.23 Rg=6.568 SPS=1273
bl=357 pos[1]=[5.2 4.5 -5.9] dr=1.33 t=5570.0ps kin=1.46 pot=20.17 Rg=6.562 SPS=1268
bl=358 pos[1]=[6.1 4.7 -6.0] dr=1.38 t=5580.0ps kin=1.47 pot=20.30 Rg=6.563 SPS=1241
bl=359 pos[1]=[5.6 2.9 -7.6] dr=1.39 t=5590.0ps kin=1.49 pot=20.30 Rg=6.580 SPS=1328
bl=360 pos[1]=[6.0 0.9 -8.5] dr=1.35 t=5600.0ps kin=1.49 pot=20.26 Rg=6.593 SPS=1334
bl=361 pos[1]=[5.5 2.1 -7.1] dr=1.40 t=5610.0ps kin=1.51 pot=20.32 Rg=6.594 SPS=1349
bl=362 pos[1]=[6.1 0.9 -6.9] dr=1.34 t=5620.0ps kin=1.49 pot=20.27 Rg=6.604 SPS=1338
bl=363 pos[1]=[5.0 0.4 -5.5] dr=1.40 t=5630.0ps kin=1.49 pot=20.26 Rg=6.514 SPS=1342
bl=364 pos[1]=[4.8 -0.1 -6.3] dr=1.40 t=5640.0ps kin=1.52 pot=20.26 Rg=6.574 SPS=1319
bl=365 pos[1]=[4.2 0.1 -6.6] dr=1.38 t=5650.0ps kin=1.47 pot=20.26 Rg=6.499 SPS=1355
bl=366 pos[1]=[5.7 0.5 -6.5] dr=1.34 t=5660.0ps kin=1.47 pot=20.25 Rg=6.514 SPS=1341
bl=367 pos[1]=[5.6 -1.0 -7.2] dr=1.34 t=5670.0ps kin=1.50 pot=20.26 Rg=6.557 SPS=1341
bl=368 pos[1]=[6.0 -2.2 -8.1] dr=1.38 t=5680.0ps kin=1.43 pot=20.31 Rg=6.532 SPS=1358
bl=369 pos[1]=[6.5 -2.8 -7.9] dr=1.35 t=5690.0ps kin=1.51 pot=20.30 Rg=6.528 SPS=992
bl=370 pos[1]=[6.1 -3.1 -6.1] dr=1.36 t=5700.0ps kin=1.51 pot=20.28 Rg=6.639 SPS=1215
bl=371 pos[1]=[7.8 -3.3 -5.3] dr=1.36 t=5710.0ps kin=1.51 pot=20.27 Rg=6.599 SPS=1370
bl=372 pos[1]=[7.4 -3.0 -4.9] dr=1.34 t=5720.0ps kin=1.49 pot=20.28 Rg=6.611 SPS=1380
bl=373 pos[1]=[7.9 -3.2 -4.1] dr=1.40 t=5730.0ps kin=1.47 pot=20.27 Rg=6.516 SPS=1352
bl=374 pos[1]=[8.6 -3.3 -2.1] dr=1.38 t=5740.0ps kin=1.54 pot=20.26 Rg=6.463 SPS=1354
bl=375 pos[1]=[8.9 -0.9 -1.7] dr=1.32 t=5750.0ps kin=1.53 pot=20.29 Rg=6.441 SPS=1341
bl=376 pos[1]=[6.6 -0.2 -2.7] dr=1.32 t=5760.0ps kin=1.50 pot=20.26 Rg=6.565 SPS=1369
bl=377 pos[1]=[6.4 -0.3 -2.7] dr=1.32 t=5770.0ps kin=1.52 pot=20.28 Rg=6.510 SPS=1352
bl=378 pos[1]=[6.9 -0.0 -4.6] dr=1.40 t=5780.0ps kin=1.51 pot=20.25 Rg=6.492 SPS=1372
bl=379 pos[1]=[6.4 -0.7 -6.1] dr=1.35 t=5790.0ps kin=1.44 pot=20.29 Rg=6.528 SPS=1355
bl=380 pos[1]=[6.5 -1.4 -5.8] dr=1.28 t=5800.0ps kin=1.52 pot=20.25 Rg=6.443 SPS=1391
bl=381 pos[1]=[6.2 0.4 -7.0] dr=1.38 t=5810.0ps kin=1.50 pot=20.30 Rg=6.480 SPS=1359
bl=382 pos[1]=[5.1 -1.1 -8.3] dr=1.33 t=5820.0ps kin=1.55 pot=20.28 Rg=6.576 SPS=1360
bl=383 pos[1]=[6.0 -0.6 -9.0] dr=1.33 t=5830.0ps kin=1.52 pot=20.30 Rg=6.636 SPS=1322
bl=384 pos[1]=[5.7 0.6 -8.5] dr=1.38 t=5840.0ps kin=1.57 pot=20.30 Rg=6.698 SPS=1363
bl=385 pos[1]=[5.3 0.8 -8.0] dr=1.37 t=5850.0ps kin=1.50 pot=20.37 Rg=6.812 SPS=1361
bl=386 pos[1]=[5.7 0.9 -9.7] dr=1.37 t=5860.0ps kin=1.46 pot=20.33 Rg=6.811 SPS=1362
bl=387 pos[1]=[4.4 1.5 -9.4] dr=1.41 t=5870.0ps kin=1.52 pot=20.24 Rg=6.684 SPS=1359
bl=388 pos[1]=[4.8 0.8 -7.3] dr=1.38 t=5880.0ps kin=1.52 pot=20.24 Rg=6.585 SPS=1375
bl=389 pos[1]=[6.1 1.9 -6.4] dr=1.38 t=5890.0ps kin=1.53 pot=20.26 Rg=6.704 SPS=1357
bl=390 pos[1]=[7.0 2.3 -6.7] dr=1.35 t=5900.0ps kin=1.50 pot=20.31 Rg=6.606 SPS=1377
bl=391 pos[1]=[7.4 1.0 -6.4] dr=1.33 t=5910.0ps kin=1.47 pot=20.27 Rg=6.624 SPS=1363
bl=392 pos[1]=[8.8 -0.1 -6.0] dr=1.30 t=5920.0ps kin=1.48 pot=20.22 Rg=6.664 SPS=1377
bl=393 pos[1]=[10.5 2.4 -5.8] dr=1.33 t=5930.0ps kin=1.50 pot=20.30 Rg=6.705 SPS=1312
bl=394 pos[1]=[12.4 3.0 -7.0] dr=1.33 t=5940.0ps kin=1.52 pot=20.33 Rg=6.700 SPS=1353
bl=395 pos[1]=[10.4 3.0 -7.7] dr=1.37 t=5950.0ps kin=1.52 pot=20.36 Rg=6.746 SPS=1360
bl=396 pos[1]=[7.9 3.0 -5.4] dr=1.41 t=5960.0ps kin=1.50 pot=20.29 Rg=6.792 SPS=1377
bl=397 pos[1]=[8.5 0.8 -7.2] dr=1.33 t=5970.0ps kin=1.51 pot=20.29 Rg=6.750 SPS=1352
bl=398 pos[1]=[9.3 2.1 -9.0] dr=1.37 t=5980.0ps kin=1.52 pot=20.28 Rg=6.730 SPS=1302
bl=399 pos[1]=[10.8 2.5 -7.5] dr=1.35 t=5990.0ps kin=1.45 pot=20.27 Rg=6.802 SPS=1345
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 1.14321614 -0.40230128 -2.46786062] Rg = 6.801528
median bond size is 0.9650221145634557
three shortest/longest (<10)/ bonds are [0.88360393 0.88683647 0.88745814] [1.09882913 1.10569573 1.10964496]
95 percentile of distance to center is: 10.040225311411405
density of closest 95% monomers is: 0.30385354596542297
density of the core monomers is: 0.7297653520620834
min/median/mean/max coordinates are:
x: -9.08, 0.95, 1.14, 12.06
y: -9.48, -0.32, -0.40, 8.09
z: -11.20, -2.82, -2.47, 7.77
Statistics for velocities:
mean kinetic energy is: 1.4486028436951746 should be: 1.5
fastest particles are (in kT): [6.28575206 6.9901057 7.01828524 7.49933947 7.75784152]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.27249838679941
bl=400 pos[1]=[9.5 2.8 -6.1] dr=1.37 t=6000.0ps kin=1.52 pot=20.22 Rg=6.804 SPS=1289
bl=401 pos[1]=[9.2 2.0 -9.6] dr=1.35 t=6010.0ps kin=1.54 pot=20.27 Rg=6.808 SPS=1313
bl=402 pos[1]=[11.7 4.7 -9.6] dr=1.39 t=6020.0ps kin=1.58 pot=20.30 Rg=6.707 SPS=1321
bl=403 pos[1]=[9.4 5.3 -7.9] dr=1.42 t=6030.0ps kin=1.52 pot=20.31 Rg=6.778 SPS=1314
bl=404 pos[1]=[6.9 5.9 -6.5] dr=1.38 t=6040.0ps kin=1.51 pot=20.34 Rg=6.732 SPS=1318
bl=405 pos[1]=[8.2 7.5 -7.3] dr=1.39 t=6050.0ps kin=1.54 pot=20.28 Rg=6.658 SPS=1301
bl=406 pos[1]=[10.4 7.8 -7.5] dr=1.46 t=6060.0ps kin=1.51 pot=20.30 Rg=6.643 SPS=1310
bl=407 pos[1]=[11.7 6.7 -6.0] dr=1.42 t=6070.0ps kin=1.58 pot=20.29 Rg=6.680 SPS=1288
bl=408 pos[1]=[11.0 8.7 -3.2] dr=1.38 t=6080.0ps kin=1.56 pot=20.31 Rg=6.671 SPS=1305
bl=409 pos[1]=[11.6 6.4 -6.0] dr=1.38 t=6090.0ps kin=1.47 pot=20.31 Rg=6.627 SPS=1309
bl=410 pos[1]=[12.2 5.3 -7.9] dr=1.37 t=6100.0ps kin=1.53 pot=20.27 Rg=6.637 SPS=1293
bl=411 pos[1]=[11.0 5.5 -7.4] dr=1.35 t=6110.0ps kin=1.53 pot=20.29 Rg=6.608 SPS=1352
bl=412 pos[1]=[11.3 4.3 -8.7] dr=1.34 t=6120.0ps kin=1.50 pot=20.23 Rg=6.636 SPS=1381
bl=413 pos[1]=[11.8 2.7 -9.3] dr=1.38 t=6130.0ps kin=1.52 pot=20.23 Rg=6.601 SPS=1341
bl=414 pos[1]=[14.2 2.8 -8.4] dr=1.28 t=6140.0ps kin=1.49 pot=20.21 Rg=6.677 SPS=1333
bl=415 pos[1]=[13.1 3.1 -7.0] dr=1.35 t=6150.0ps kin=1.47 pot=20.24 Rg=6.744 SPS=1361
bl=416 pos[1]=[11.6 4.2 -9.0] dr=1.38 t=6160.0ps kin=1.53 pot=20.30 Rg=6.722 SPS=1340
bl=417 pos[1]=[12.8 4.1 -8.5] dr=1.41 t=6170.0ps kin=1.54 pot=20.29 Rg=6.807 SPS=1225
bl=418 pos[1]=[10.3 4.1 -9.3] dr=1.40 t=6180.0ps kin=1.52 pot=20.32 Rg=6.766 SPS=1350
bl=419 pos[1]=[9.4 4.5 -8.9] dr=1.32 t=6190.0ps kin=1.50 pot=20.29 Rg=6.699 SPS=1346
bl=420 pos[1]=[11.1 3.1 -8.6] dr=1.38 t=6200.0ps kin=1.48 pot=20.32 Rg=6.654 SPS=1317
bl=421 pos[1]=[10.4 2.2 -7.5] dr=1.40 t=6210.0ps kin=1.50 pot=20.29 Rg=6.570 SPS=1340
bl=422 pos[1]=[10.3 3.5 -5.0] dr=1.41 t=6220.0ps kin=1.55 pot=20.29 Rg=6.633 SPS=1298
bl=423 pos[1]=[11.5 4.3 -4.9] dr=1.41 t=6230.0ps kin=1.58 pot=20.29 Rg=6.642 SPS=1341
bl=424 pos[1]=[10.4 4.4 -4.5] dr=1.42 t=6240.0ps kin=1.50 pot=20.28 Rg=6.579 SPS=1355
bl=425 pos[1]=[10.5 3.4 -4.9] dr=1.35 t=6250.0ps kin=1.52 pot=20.28 Rg=6.485 SPS=1360
bl=426 pos[1]=[8.5 4.1 -4.1] dr=1.34 t=6260.0ps kin=1.52 pot=20.28 Rg=6.538 SPS=1347
bl=427 pos[1]=[7.1 5.6 -4.0] dr=1.35 t=6270.0ps kin=1.47 pot=20.28 Rg=6.597 SPS=1356
bl=428 pos[1]=[7.1 6.1 -3.3] dr=1.39 t=6280.0ps kin=1.49 pot=20.27 Rg=6.562 SPS=1346
bl=429 pos[1]=[7.3 5.4 -4.3] dr=1.37 t=6290.0ps kin=1.50 pot=20.25 Rg=6.576 SPS=1366
bl=430 pos[1]=[7.2 5.6 -3.6] dr=1.29 t=6300.0ps kin=1.53 pot=20.28 Rg=6.588 SPS=1358
bl=431 pos[1]=[7.4 4.9 -4.9] dr=1.41 t=6310.0ps kin=1.56 pot=20.26 Rg=6.620 SPS=1350
bl=432 pos[1]=[7.0 6.2 -4.5] dr=1.38 t=6320.0ps kin=1.55 pot=20.40 Rg=6.664 SPS=1259
bl=433 pos[1]=[5.6 8.8 -4.7] dr=1.45 t=6330.0ps kin=1.54 pot=20.34 Rg=6.663 SPS=1335
bl=434 pos[1]=[5.4 6.1 -5.8] dr=1.33 t=6340.0ps kin=1.51 pot=20.23 Rg=6.566 SPS=1342
bl=435 pos[1]=[6.9 5.8 -6.9] dr=1.27 t=6350.0ps kin=1.47 pot=20.34 Rg=6.643 SPS=1343
bl=436 pos[1]=[6.9 5.7 -6.2] dr=1.33 t=6360.0ps kin=1.51 pot=20.27 Rg=6.555 SPS=1357
bl=437 pos[1]=[7.9 6.1 -4.4] dr=1.31 t=6370.0ps kin=1.51 pot=20.29 Rg=6.514 SPS=1352
bl=438 pos[1]=[6.7 5.1 -3.6] dr=1.36 t=6380.0ps kin=1.47 pot=20.25 Rg=6.542 SPS=1361
bl=439 pos[1]=[5.5 4.8 -3.7] dr=1.34 t=6390.0ps kin=1.46 pot=20.22 Rg=6.449 SPS=1358
bl=440 pos[1]=[6.3 6.2 -2.5] dr=1.33 t=6400.0ps kin=1.46 pot=20.30 Rg=6.517 SPS=1328
bl=441 pos[1]=[7.9 3.7 -2.7] dr=1.37 t=6410.0ps kin=1.56 pot=20.23 Rg=6.574 SPS=1350
bl=442 pos[1]=[7.9 3.2 -3.2] dr=1.35 t=6420.0ps kin=1.55 pot=20.21 Rg=6.499 SPS=1300
bl=443 pos[1]=[7.4 5.9 -4.4] dr=1.40 t=6430.0ps kin=1.53 pot=20.31 Rg=6.610 SPS=1330
bl=444 pos[1]=[6.6 5.6 -0.7] dr=1.34 t=6440.0ps kin=1.53 pot=20.27 Rg=6.591 SPS=1344
bl=445 pos[1]=[3.4 6.1 -1.7] dr=1.41 t=6450.0ps kin=1.51 pot=20.36 Rg=6.631 SPS=1330
bl=446 pos[1]=[4.3 5.3 -1.7] dr=1.33 t=6460.0ps kin=1.52 pot=20.35 Rg=6.588 SPS=1315
bl=447 pos[1]=[6.0 5.6 -1.1] dr=1.36 t=6470.0ps kin=1.49 pot=20.29 Rg=6.592 SPS=1322
bl=448 pos[1]=[8.6 5.7 -2.1] dr=1.36 t=6480.0ps kin=1.52 pot=20.33 Rg=6.618 SPS=1342
bl=449 pos[1]=[9.3 4.4 -1.9] dr=1.35 t=6490.0ps kin=1.48 pot=20.32 Rg=6.624 SPS=1340
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 1.69623548 0.48378126 -3.53465766] Rg = 6.6236696
median bond size is 0.9651470787555226
three shortest/longest (<10)/ bonds are [0.88821235 0.88872707 0.89171804] [1.09515125 1.10387063 1.11840916]
95 percentile of distance to center is: 9.51305791035843
density of closest 95% monomers is: 0.3572187644528881
density of the core monomers is: 0.7000183990932883
min/median/mean/max coordinates are:
x: -6.86, 1.55, 1.70, 10.31
y: -8.48, 0.54, 0.48, 9.85
z: -13.37, -3.48, -3.53, 6.11
Statistics for velocities:
mean kinetic energy is: 1.4803982844948387 should be: 1.5
fastest particles are (in kT): [7.1951793 7.26038744 7.74956611 8.0094008 8.01540598]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.316952145556783
bl=450 pos[1]=[10.0 4.4 -2.6] dr=1.34 t=6500.0ps kin=1.53 pot=20.29 Rg=6.616 SPS=1342
bl=451 pos[1]=[9.6 5.4 -4.1] dr=1.40 t=6510.0ps kin=1.50 pot=20.27 Rg=6.571 SPS=1351
bl=452 pos[1]=[8.2 5.7 -4.2] dr=1.41 t=6520.0ps kin=1.48 pot=20.29 Rg=6.555 SPS=1346
bl=453 pos[1]=[7.8 5.9 -5.9] dr=1.42 t=6530.0ps kin=1.55 pot=20.23 Rg=6.439 SPS=1242
bl=454 pos[1]=[7.1 6.3 -6.3] dr=1.38 t=6540.0ps kin=1.54 pot=20.27 Rg=6.470 SPS=1303
bl=455 pos[1]=[8.3 6.4 -5.4] dr=1.36 t=6550.0ps kin=1.53 pot=20.28 Rg=6.507 SPS=1342
bl=456 pos[1]=[6.3 6.3 -4.2] dr=1.40 t=6560.0ps kin=1.53 pot=20.27 Rg=6.507 SPS=1345
bl=457 pos[1]=[5.9 5.0 -3.5] dr=1.31 t=6570.0ps kin=1.56 pot=20.24 Rg=6.517 SPS=1310
bl=458 pos[1]=[5.6 7.5 -1.7] dr=1.33 t=6580.0ps kin=1.49 pot=20.26 Rg=6.575 SPS=1333
bl=459 pos[1]=[5.8 5.2 -3.1] dr=1.36 t=6590.0ps kin=1.53 pot=20.26 Rg=6.696 SPS=1346
bl=460 pos[1]=[4.7 4.7 -1.7] dr=1.29 t=6600.0ps kin=1.46 pot=20.29 Rg=6.708 SPS=1295
bl=461 pos[1]=[4.5 4.5 -0.8] dr=1.39 t=6610.0ps kin=1.53 pot=20.27 Rg=6.624 SPS=1348
bl=462 pos[1]=[3.1 5.4 -0.2] dr=1.32 t=6620.0ps kin=1.45 pot=20.24 Rg=6.652 SPS=1312
bl=463 pos[1]=[3.9 6.6 0.8] dr=1.34 t=6630.0ps kin=1.46 pot=20.22 Rg=6.630 SPS=1350
bl=464 pos[1]=[3.6 7.1 1.0] dr=1.35 t=6640.0ps kin=1.50 pot=20.26 Rg=6.582 SPS=1351
bl=465 pos[1]=[4.6 6.2 0.7] dr=1.36 t=6650.0ps kin=1.51 pot=20.27 Rg=6.616 SPS=1349
bl=466 pos[1]=[5.1 4.4 1.0] dr=1.35 t=6660.0ps kin=1.48 pot=20.25 Rg=6.591 SPS=1356
bl=467 pos[1]=[3.9 4.0 1.8] dr=1.39 t=6670.0ps kin=1.49 pot=20.29 Rg=6.558 SPS=1349
bl=468 pos[1]=[4.0 3.4 1.7] dr=1.31 t=6680.0ps kin=1.46 pot=20.27 Rg=6.546 SPS=1358
bl=469 pos[1]=[5.4 4.8 1.3] dr=1.33 t=6690.0ps kin=1.54 pot=20.25 Rg=6.510 SPS=1345
bl=470 pos[1]=[5.9 5.3 1.6] dr=1.35 t=6700.0ps kin=1.50 pot=20.25 Rg=6.526 SPS=1342
bl=471 pos[1]=[2.4 5.5 2.4] dr=1.38 t=6710.0ps kin=1.53 pot=20.18 Rg=6.511 SPS=1343
bl=472 pos[1]=[-0.2 6.8 0.5] dr=1.27 t=6720.0ps kin=1.56 pot=20.20 Rg=6.571 SPS=1352
bl=473 pos[1]=[-0.1 6.6 0.5] dr=1.33 t=6730.0ps kin=1.46 pot=20.24 Rg=6.475 SPS=1358
bl=474 pos[1]=[1.6 7.2 0.5] dr=1.30 t=6740.0ps kin=1.54 pot=20.25 Rg=6.468 SPS=1367
bl=475 pos[1]=[1.3 8.0 -1.2] dr=1.35 t=6750.0ps kin=1.49 pot=20.24 Rg=6.542 SPS=1360
bl=476 pos[1]=[0.9 7.3 -0.6] dr=1.31 t=6760.0ps kin=1.53 pot=20.20 Rg=6.451 SPS=1349
bl=477 pos[1]=[-0.2 6.3 0.9] dr=1.35 t=6770.0ps kin=1.48 pot=20.22 Rg=6.445 SPS=1336
bl=478 pos[1]=[2.1 6.3 0.8] dr=1.32 t=6780.0ps kin=1.53 pot=20.24 Rg=6.416 SPS=1344
bl=479 pos[1]=[0.9 6.4 -0.7] dr=1.35 t=6790.0ps kin=1.48 pot=20.25 Rg=6.503 SPS=1363
bl=480 pos[1]=[2.2 5.2 -1.7] dr=1.37 t=6800.0ps kin=1.48 pot=20.28 Rg=6.441 SPS=1354
bl=481 pos[1]=[2.7 4.5 -2.1] dr=1.33 t=6810.0ps kin=1.49 pot=20.30 Rg=6.529 SPS=1352
bl=482 pos[1]=[1.7 4.1 -2.5] dr=1.31 t=6820.0ps kin=1.51 pot=20.29 Rg=6.600 SPS=1347
bl=483 pos[1]=[1.5 4.1 -2.6] dr=1.40 t=6830.0ps kin=1.59 pot=20.25 Rg=6.564 SPS=1361
bl=484 pos[1]=[0.9 3.3 -4.0] dr=1.36 t=6840.0ps kin=1.47 pot=20.30 Rg=6.562 SPS=1352
bl=485 pos[1]=[0.2 3.3 -4.5] dr=1.32 t=6850.0ps kin=1.49 pot=20.30 Rg=6.546 SPS=1356
bl=486 pos[1]=[-0.1 3.9 -4.5] dr=1.38 t=6860.0ps kin=1.49 pot=20.28 Rg=6.541 SPS=1364
bl=487 pos[1]=[0.2 2.9 -3.6] dr=1.30 t=6870.0ps kin=1.48 pot=20.24 Rg=6.486 SPS=1313
bl=488 pos[1]=[0.4 2.4 -4.4] dr=1.33 t=6880.0ps kin=1.50 pot=20.20 Rg=6.523 SPS=1334
bl=489 pos[1]=[0.8 3.1 -3.5] dr=1.39 t=6890.0ps kin=1.47 pot=20.26 Rg=6.523 SPS=1336
bl=490 pos[1]=[0.5 2.9 -3.5] dr=1.37 t=6900.0ps kin=1.52 pot=20.29 Rg=6.584 SPS=1337
bl=491 pos[1]=[1.2 4.6 -3.7] dr=1.38 t=6910.0ps kin=1.52 pot=20.27 Rg=6.602 SPS=1333
bl=492 pos[1]=[-0.6 5.4 -3.0] dr=1.33 t=6920.0ps kin=1.52 pot=20.28 Rg=6.692 SPS=1248
bl=493 pos[1]=[0.5 5.9 -4.3] dr=1.34 t=6930.0ps kin=1.48 pot=20.25 Rg=6.576 SPS=1334
bl=494 pos[1]=[0.3 5.1 -5.1] dr=1.31 t=6940.0ps kin=1.50 pot=20.27 Rg=6.594 SPS=1339
bl=495 pos[1]=[1.2 6.5 -4.6] dr=1.34 t=6950.0ps kin=1.54 pot=20.28 Rg=6.741 SPS=1353
bl=496 pos[1]=[2.0 5.9 -4.3] dr=1.43 t=6960.0ps kin=1.52 pot=20.28 Rg=6.662 SPS=1363
bl=497 pos[1]=[1.7 5.5 -4.8] dr=1.37 t=6970.0ps kin=1.53 pot=20.21 Rg=6.606 SPS=1362
bl=498 pos[1]=[0.1 6.6 -4.2] dr=1.36 t=6980.0ps kin=1.51 pot=20.21 Rg=6.537 SPS=1350
bl=499 pos[1]=[-0.2 5.4 -4.3] dr=1.29 t=6990.0ps kin=1.51 pot=20.19 Rg=6.488 SPS=1322
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 1.88766362 0.12454285 -2.79187842] Rg = 6.4876046
median bond size is 0.9647984061424766
three shortest/longest (<10)/ bonds are [0.86624813 0.88235474 0.88489944] [1.068913 1.08209955 1.1247434 ]
95 percentile of distance to center is: 9.15279588160882
density of closest 95% monomers is: 0.40108216816558684
density of the core monomers is: 0.6773899149612501
min/median/mean/max coordinates are:
x: -7.33, 2.09, 1.89, 11.29
y: -8.60, 0.24, 0.12, 8.98
z: -11.56, -2.78, -2.79, 6.02
Statistics for velocities:
mean kinetic energy is: 1.510482828891397 should be: 1.5
fastest particles are (in kT): [6.44988657 6.47510211 6.52389235 6.62204071 7.62336391]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.185448930678465
bl=500 pos[1]=[0.4 5.3 -3.8] dr=1.31 t=7000.0ps kin=1.49 pot=20.22 Rg=6.430 SPS=1337
bl=501 pos[1]=[1.3 5.6 -3.6] dr=1.32 t=7010.0ps kin=1.48 pot=20.26 Rg=6.525 SPS=1352
bl=502 pos[1]=[1.2 8.2 -2.6] dr=1.34 t=7020.0ps kin=1.56 pot=20.26 Rg=6.500 SPS=1346
bl=503 pos[1]=[0.7 6.6 -4.4] dr=1.27 t=7030.0ps kin=1.54 pot=20.26 Rg=6.547 SPS=1325
bl=504 pos[1]=[-0.1 7.0 -4.9] dr=1.39 t=7040.0ps kin=1.52 pot=20.29 Rg=6.573 SPS=1358
bl=505 pos[1]=[1.4 7.1 -5.6] dr=1.41 t=7050.0ps kin=1.55 pot=20.22 Rg=6.533 SPS=1351
bl=506 pos[1]=[3.3 6.6 -5.6] dr=1.38 t=7060.0ps kin=1.52 pot=20.26 Rg=6.561 SPS=1323
bl=507 pos[1]=[2.6 7.4 -3.8] dr=1.38 t=7070.0ps kin=1.48 pot=20.27 Rg=6.540 SPS=1355
bl=508 pos[1]=[1.9 7.5 -3.3] dr=1.46 t=7080.0ps kin=1.52 pot=20.24 Rg=6.518 SPS=1353
bl=509 pos[1]=[2.0 5.8 -3.6] dr=1.41 t=7090.0ps kin=1.51 pot=20.22 Rg=6.440 SPS=1332
bl=510 pos[1]=[4.1 6.6 -3.2] dr=1.41 t=7100.0ps kin=1.50 pot=20.25 Rg=6.480 SPS=1330
bl=511 pos[1]=[3.2 7.1 -4.2] dr=1.33 t=7110.0ps kin=1.46 pot=20.24 Rg=6.516 SPS=1326
bl=512 pos[1]=[3.2 5.9 -5.4] dr=1.39 t=7120.0ps kin=1.48 pot=20.23 Rg=6.495 SPS=1338
bl=513 pos[1]=[1.5 7.3 -5.9] dr=1.34 t=7130.0ps kin=1.49 pot=20.28 Rg=6.502 SPS=1347
bl=514 pos[1]=[4.1 6.9 -3.3] dr=1.35 t=7140.0ps kin=1.56 pot=20.26 Rg=6.437 SPS=1348
bl=515 pos[1]=[6.0 7.2 -3.5] dr=1.32 t=7150.0ps kin=1.52 pot=20.23 Rg=6.415 SPS=1317
bl=516 pos[1]=[4.9 6.3 -4.3] dr=1.35 t=7160.0ps kin=1.50 pot=20.25 Rg=6.404 SPS=1326
bl=517 pos[1]=[5.3 7.3 -2.4] dr=1.33 t=7170.0ps kin=1.54 pot=20.27 Rg=6.438 SPS=1345
bl=518 pos[1]=[6.3 7.6 -2.5] dr=1.38 t=7180.0ps kin=1.46 pot=20.30 Rg=6.440 SPS=1341
bl=519 pos[1]=[4.1 6.0 -1.0] dr=1.35 t=7190.0ps kin=1.53 pot=20.26 Rg=6.438 SPS=1355
bl=520 pos[1]=[4.4 6.6 0.3] dr=1.37 t=7200.0ps kin=1.50 pot=20.27 Rg=6.470 SPS=1374
bl=521 pos[1]=[4.6 5.0 1.3] dr=1.35 t=7210.0ps kin=1.50 pot=20.28 Rg=6.415 SPS=1370
bl=522 pos[1]=[3.3 6.3 -0.2] dr=1.39 t=7220.0ps kin=1.50 pot=20.26 Rg=6.474 SPS=1366
bl=523 pos[1]=[5.5 8.1 -0.7] dr=1.30 t=7230.0ps kin=1.51 pot=20.27 Rg=6.420 SPS=1364
bl=524 pos[1]=[8.0 5.3 -1.4] dr=1.35 t=7240.0ps kin=1.51 pot=20.30 Rg=6.501 SPS=1320
bl=525 pos[1]=[8.4 4.2 -1.3] dr=1.33 t=7250.0ps kin=1.54 pot=20.30 Rg=6.581 SPS=1306
bl=526 pos[1]=[6.8 5.2 -3.6] dr=1.38 t=7260.0ps kin=1.49 pot=20.26 Rg=6.633 SPS=1254
bl=527 pos[1]=[6.8 4.8 -2.6] dr=1.38 t=7270.0ps kin=1.59 pot=20.24 Rg=6.471 SPS=1365
bl=528 pos[1]=[7.3 4.5 -2.9] dr=1.36 t=7280.0ps kin=1.51 pot=20.28 Rg=6.490 SPS=1319
bl=529 pos[1]=[6.6 4.1 -3.6] dr=1.32 t=7290.0ps kin=1.48 pot=20.30 Rg=6.482 SPS=1296
bl=530 pos[1]=[6.2 4.2 -4.2] dr=1.35 t=7300.0ps kin=1.51 pot=20.23 Rg=6.491 SPS=1369
bl=531 pos[1]=[6.1 3.5 -3.6] dr=1.34 t=7310.0ps kin=1.48 pot=20.26 Rg=6.444 SPS=1358
bl=532 pos[1]=[5.8 4.2 -3.6] dr=1.26 t=7320.0ps kin=1.49 pot=20.27 Rg=6.460 SPS=1351
bl=533 pos[1]=[6.5 5.8 -4.7] dr=1.38 t=7330.0ps kin=1.51 pot=20.22 Rg=6.526 SPS=1367
bl=534 pos[1]=[5.2 4.5 -6.8] dr=1.34 t=7340.0ps kin=1.52 pot=20.28 Rg=6.537 SPS=1393
bl=535 pos[1]=[5.1 2.1 -7.1] dr=1.35 t=7350.0ps kin=1.53 pot=20.25 Rg=6.581 SPS=1367
bl=536 pos[1]=[6.6 2.6 -6.7] dr=1.30 t=7360.0ps kin=1.42 pot=20.26 Rg=6.543 SPS=1391
bl=537 pos[1]=[5.4 2.9 -7.6] dr=1.36 t=7370.0ps kin=1.53 pot=20.23 Rg=6.420 SPS=1371
bl=538 pos[1]=[6.6 2.5 -7.0] dr=1.33 t=7380.0ps kin=1.53 pot=20.25 Rg=6.482 SPS=1334
bl=539 pos[1]=[6.9 2.9 -7.2] dr=1.36 t=7390.0ps kin=1.55 pot=20.22 Rg=6.499 SPS=1360
bl=540 pos[1]=[6.5 3.8 -6.9] dr=1.33 t=7400.0ps kin=1.53 pot=20.28 Rg=6.529 SPS=1358
bl=541 pos[1]=[4.6 4.1 -6.4] dr=1.36 t=7410.0ps kin=1.50 pot=20.24 Rg=6.497 SPS=1400
bl=542 pos[1]=[5.7 5.2 -6.0] dr=1.31 t=7420.0ps kin=1.51 pot=20.22 Rg=6.446 SPS=1329
bl=543 pos[1]=[5.7 3.2 -5.1] dr=1.36 t=7430.0ps kin=1.48 pot=20.26 Rg=6.510 SPS=1264
bl=544 pos[1]=[5.5 6.3 -5.7] dr=1.34 t=7440.0ps kin=1.46 pot=20.34 Rg=6.535 SPS=1034
bl=545 pos[1]=[4.8 4.6 -5.9] dr=1.35 t=7450.0ps kin=1.51 pot=20.25 Rg=6.553 SPS=1390
bl=546 pos[1]=[3.7 2.8 -5.8] dr=1.35 t=7460.0ps kin=1.45 pot=20.24 Rg=6.543 SPS=1379
bl=547 pos[1]=[4.4 3.6 -8.3] dr=1.29 t=7470.0ps kin=1.49 pot=20.26 Rg=6.619 SPS=1375
bl=548 pos[1]=[3.1 6.2 -9.4] dr=1.38 t=7480.0ps kin=1.49 pot=20.32 Rg=6.627 SPS=1297
bl=549 pos[1]=[2.8 6.0 -8.2] dr=1.40 t=7490.0ps kin=1.49 pot=20.29 Rg=6.564 SPS=1005
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.54719311 0.46831929 -2.53651391] Rg = 6.5637646
median bond size is 0.9650624148506904
three shortest/longest (<10)/ bonds are [0.87008224 0.87950549 0.88299118] [1.08233489 1.08423438 1.09206619]
95 percentile of distance to center is: 9.208140523491444
density of closest 95% monomers is: 0.39389355105944174
density of the core monomers is: 0.6850185667207215
min/median/mean/max coordinates are:
x: -7.64, 0.30, 0.55, 9.29
y: -8.27, 0.15, 0.47, 9.27
z: -11.10, -2.51, -2.54, 7.94
Statistics for velocities:
mean kinetic energy is: 1.4872402927317785 should be: 1.5
fastest particles are (in kT): [6.99976399 7.51521141 7.89022285 9.33979428 9.58071169]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.292600018436577
bl=550 pos[1]=[3.5 4.5 -8.9] dr=1.40 t=7500.0ps kin=1.55 pot=20.24 Rg=6.535 SPS=1280
bl=551 pos[1]=[2.0 6.1 -8.0] dr=1.43 t=7510.0ps kin=1.45 pot=20.26 Rg=6.474 SPS=1381
bl=552 pos[1]=[4.2 5.7 -9.1] dr=1.34 t=7520.0ps kin=1.55 pot=20.23 Rg=6.511 SPS=1387
bl=553 pos[1]=[4.2 4.2 -8.3] dr=1.36 t=7530.0ps kin=1.44 pot=20.28 Rg=6.498 SPS=1154
bl=554 pos[1]=[3.6 7.0 -8.2] dr=1.33 t=7540.0ps kin=1.45 pot=20.21 Rg=6.470 SPS=1352
bl=555 pos[1]=[1.2 8.5 -6.9] dr=1.38 t=7550.0ps kin=1.42 pot=20.27 Rg=6.489 SPS=1283
bl=556 pos[1]=[-0.1 8.7 -8.7] dr=1.26 t=7560.0ps kin=1.46 pot=20.24 Rg=6.474 SPS=1257
bl=557 pos[1]=[2.0 6.8 -7.5] dr=1.34 t=7570.0ps kin=1.50 pot=20.21 Rg=6.507 SPS=1382
bl=558 pos[1]=[6.5 5.2 -7.2] dr=1.34 t=7580.0ps kin=1.53 pot=20.25 Rg=6.501 SPS=1362
bl=559 pos[1]=[4.6 4.1 -7.3] dr=1.33 t=7590.0ps kin=1.52 pot=20.27 Rg=6.556 SPS=1388
bl=560 pos[1]=[4.2 5.0 -7.2] dr=1.36 t=7600.0ps kin=1.49 pot=20.31 Rg=6.694 SPS=1391
bl=561 pos[1]=[4.4 4.0 -6.6] dr=1.31 t=7610.0ps kin=1.51 pot=20.23 Rg=6.620 SPS=1411
bl=562 pos[1]=[3.2 6.6 -5.5] dr=1.31 t=7620.0ps kin=1.42 pot=20.27 Rg=6.656 SPS=1384
bl=563 pos[1]=[3.5 8.1 -5.8] dr=1.33 t=7630.0ps kin=1.48 pot=20.27 Rg=6.642 SPS=1371
bl=564 pos[1]=[4.8 8.6 -6.1] dr=1.28 t=7640.0ps kin=1.47 pot=20.24 Rg=6.630 SPS=1121
bl=565 pos[1]=[5.9 6.9 -6.6] dr=1.34 t=7650.0ps kin=1.46 pot=20.27 Rg=6.684 SPS=1398
bl=566 pos[1]=[4.9 5.0 -6.2] dr=1.25 t=7660.0ps kin=1.45 pot=20.22 Rg=6.631 SPS=1042
bl=567 pos[1]=[4.4 5.9 -7.5] dr=1.35 t=7670.0ps kin=1.42 pot=20.25 Rg=6.664 SPS=1232
bl=568 pos[1]=[4.9 6.4 -6.1] dr=1.28 t=7680.0ps kin=1.47 pot=20.28 Rg=6.596 SPS=1401
bl=569 pos[1]=[3.7 5.4 -6.6] dr=1.38 t=7690.0ps kin=1.53 pot=20.21 Rg=6.674 SPS=1397
bl=570 pos[1]=[3.3 6.3 -5.3] dr=1.45 t=7700.0ps kin=1.51 pot=20.30 Rg=6.781 SPS=1407
bl=571 pos[1]=[3.8 6.9 -4.3] dr=1.38 t=7710.0ps kin=1.53 pot=20.34 Rg=6.709 SPS=1417
bl=572 pos[1]=[2.2 6.5 -3.9] dr=1.42 t=7720.0ps kin=1.53 pot=20.32 Rg=6.610 SPS=1384
bl=573 pos[1]=[0.5 5.8 -3.8] dr=1.31 t=7730.0ps kin=1.48 pot=20.26 Rg=6.555 SPS=1397
bl=574 pos[1]=[0.5 6.3 -2.3] dr=1.32 t=7740.0ps kin=1.49 pot=20.30 Rg=6.506 SPS=1412
bl=575 pos[1]=[-0.2 7.2 -4.8] dr=1.41 t=7750.0ps kin=1.51 pot=20.28 Rg=6.504 SPS=1392
bl=576 pos[1]=[-0.9 6.7 -3.2] dr=1.41 t=7760.0ps kin=1.57 pot=20.29 Rg=6.530 SPS=1389
bl=577 pos[1]=[-1.6 6.1 -2.3] dr=1.37 t=7770.0ps kin=1.52 pot=20.30 Rg=6.504 SPS=1410
bl=578 pos[1]=[-1.5 6.7 -2.3] dr=1.33 t=7780.0ps kin=1.46 pot=20.28 Rg=6.470 SPS=1422
bl=579 pos[1]=[0.6 8.1 -2.5] dr=1.32 t=7790.0ps kin=1.58 pot=20.26 Rg=6.429 SPS=1395
bl=580 pos[1]=[0.9 7.1 -1.4] dr=1.35 t=7800.0ps kin=1.55 pot=20.28 Rg=6.451 SPS=1408
bl=581 pos[1]=[0.5 8.1 -1.2] dr=1.31 t=7810.0ps kin=1.49 pot=20.30 Rg=6.429 SPS=1388
bl=582 pos[1]=[1.0 9.3 -0.9] dr=1.34 t=7820.0ps kin=1.51 pot=20.26 Rg=6.458 SPS=1402
bl=583 pos[1]=[1.4 9.2 -1.2] dr=1.33 t=7830.0ps kin=1.59 pot=20.23 Rg=6.520 SPS=1409
bl=584 pos[1]=[0.3 7.7 -0.7] dr=1.33 t=7840.0ps kin=1.56 pot=20.24 Rg=6.587 SPS=1397
bl=585 pos[1]=[0.7 7.2 -2.4] dr=1.36 t=7850.0ps kin=1.51 pot=20.24 Rg=6.540 SPS=1365
bl=586 pos[1]=[1.3 6.4 -3.4] dr=1.34 t=7860.0ps kin=1.49 pot=20.22 Rg=6.525 SPS=1398
bl=587 pos[1]=[1.3 8.0 -3.1] dr=1.40 t=7870.0ps kin=1.48 pot=20.23 Rg=6.490 SPS=1405
bl=588 pos[1]=[1.7 7.3 -3.0] dr=1.34 t=7880.0ps kin=1.46 pot=20.29 Rg=6.488 SPS=1402
bl=589 pos[1]=[1.2 6.6 -3.1] dr=1.35 t=7890.0ps kin=1.52 pot=20.27 Rg=6.441 SPS=1413
bl=590 pos[1]=[1.3 5.2 -2.7] dr=1.39 t=7900.0ps kin=1.50 pot=20.25 Rg=6.381 SPS=1415
bl=591 pos[1]=[0.7 4.7 -3.8] dr=1.29 t=7910.0ps kin=1.47 pot=20.20 Rg=6.341 SPS=1358
bl=592 pos[1]=[1.1 5.4 -3.6] dr=1.29 t=7920.0ps kin=1.54 pot=20.24 Rg=6.350 SPS=1074
bl=593 pos[1]=[1.7 5.3 -2.5] dr=1.39 t=7930.0ps kin=1.46 pot=20.24 Rg=6.419 SPS=1422
bl=594 pos[1]=[2.1 6.9 -1.0] dr=1.35 t=7940.0ps kin=1.49 pot=20.24 Rg=6.524 SPS=1407
bl=595 pos[1]=[2.3 8.7 0.3] dr=1.35 t=7950.0ps kin=1.50 pot=20.25 Rg=6.401 SPS=1400
bl=596 pos[1]=[1.9 8.0 1.6] dr=1.33 t=7960.0ps kin=1.53 pot=20.27 Rg=6.444 SPS=732
bl=597 pos[1]=[2.4 7.9 1.6] dr=1.32 t=7970.0ps kin=1.49 pot=20.30 Rg=6.523 SPS=1037
bl=598 pos[1]=[2.3 8.2 2.8] dr=1.39 t=7980.0ps kin=1.49 pot=20.25 Rg=6.511 SPS=1062
bl=599 pos[1]=[2.9 8.2 1.4] dr=1.35 t=7990.0ps kin=1.47 pot=20.29 Rg=6.497 SPS=1226
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [ 0.07062961 -0.14013496 -2.48742159] Rg = 6.4968557
median bond size is 0.9638127498386048
three shortest/longest (<10)/ bonds are [0.87211107 0.87438815 0.88575726] [1.0999236 1.10160661 1.11059418]
95 percentile of distance to center is: 9.298171841382938
density of closest 95% monomers is: 0.3825621336054837
density of the core monomers is: 0.6990907672597654
min/median/mean/max coordinates are:
x: -8.48, 0.21, 0.07, 7.60
y: -8.28, -0.30, -0.14, 9.02
z: -12.78, -2.19, -2.49, 6.32
Statistics for velocities:
mean kinetic energy is: 1.4674540329837258 should be: 1.5
fastest particles are (in kT): [6.58752134 6.76488155 6.82378324 7.08370316 7.4383015 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.287354235803836
bl=600 pos[1]=[5.8 10.4 -3.1] dr=1.42 t=8000.0ps kin=1.52 pot=20.26 Rg=6.548 SPS=1006
bl=601 pos[1]=[4.6 8.6 -6.6] dr=1.37 t=8010.0ps kin=1.53 pot=20.24 Rg=6.456 SPS=814
bl=602 pos[1]=[5.6 7.5 -7.4] dr=1.32 t=8020.0ps kin=1.51 pot=20.25 Rg=6.440 SPS=1018
bl=603 pos[1]=[6.8 4.7 -6.7] dr=1.30 t=8030.0ps kin=1.47 pot=20.29 Rg=6.529 SPS=1050
bl=604 pos[1]=[7.9 2.7 -6.2] dr=1.36 t=8040.0ps kin=1.52 pot=20.25 Rg=6.441 SPS=1200
bl=605 pos[1]=[6.5 1.4 -7.3] dr=1.38 t=8050.0ps kin=1.49 pot=20.24 Rg=6.424 SPS=1388
bl=606 pos[1]=[5.8 2.9 -8.2] dr=1.39 t=8060.0ps kin=1.43 pot=20.24 Rg=6.460 SPS=919
bl=607 pos[1]=[3.9 3.7 -9.3] dr=1.35 t=8070.0ps kin=1.52 pot=20.24 Rg=6.390 SPS=780
bl=608 pos[1]=[1.4 4.4 -8.9] dr=1.32 t=8080.0ps kin=1.53 pot=20.23 Rg=6.435 SPS=924
bl=609 pos[1]=[2.9 5.4 -7.1] dr=1.37 t=8090.0ps kin=1.47 pot=20.28 Rg=6.430 SPS=829
bl=610 pos[1]=[5.0 5.6 -7.1] dr=1.36 t=8100.0ps kin=1.46 pot=20.22 Rg=6.465 SPS=1169
bl=611 pos[1]=[4.4 6.5 -5.2] dr=1.32 t=8110.0ps kin=1.48 pot=20.21 Rg=6.568 SPS=1021
bl=612 pos[1]=[5.0 7.1 -4.7] dr=1.36 t=8120.0ps kin=1.49 pot=20.28 Rg=6.600 SPS=1053
bl=613 pos[1]=[3.7 8.7 -6.1] dr=1.36 t=8130.0ps kin=1.52 pot=20.35 Rg=6.560 SPS=1387
bl=614 pos[1]=[4.3 9.8 -7.2] dr=1.34 t=8140.0ps kin=1.48 pot=20.32 Rg=6.562 SPS=1145
bl=615 pos[1]=[2.6 8.8 -9.1] dr=1.33 t=8150.0ps kin=1.52 pot=20.29 Rg=6.528 SPS=1330
bl=616 pos[1]=[2.9 6.0 -9.8] dr=1.37 t=8160.0ps kin=1.54 pot=20.29 Rg=6.620 SPS=1154
bl=617 pos[1]=[3.8 7.8 -10.1] dr=1.39 t=8170.0ps kin=1.47 pot=20.26 Rg=6.715 SPS=1225
bl=618 pos[1]=[3.5 6.9 -10.3] dr=1.34 t=8180.0ps kin=1.57 pot=20.30 Rg=6.650 SPS=1404
bl=619 pos[1]=[3.0 7.4 -7.6] dr=1.40 t=8190.0ps kin=1.52 pot=20.25 Rg=6.567 SPS=1388
bl=620 pos[1]=[-0.2 4.8 -8.1] dr=1.33 t=8200.0ps kin=1.49 pot=20.32 Rg=6.630 SPS=954
bl=621 pos[1]=[-0.2 1.7 -7.9] dr=1.40 t=8210.0ps kin=1.48 pot=20.30 Rg=6.640 SPS=1175
bl=622 pos[1]=[0.3 2.1 -8.1] dr=1.38 t=8220.0ps kin=1.50 pot=20.28 Rg=6.556 SPS=1250
bl=623 pos[1]=[-0.1 2.9 -8.1] dr=1.30 t=8230.0ps kin=1.51 pot=20.23 Rg=6.518 SPS=1394
bl=624 pos[1]=[-0.3 3.1 -9.0] dr=1.32 t=8240.0ps kin=1.54 pot=20.19 Rg=6.469 SPS=1392
bl=625 pos[1]=[-2.4 3.2 -8.8] dr=1.37 t=8250.0ps kin=1.42 pot=20.25 Rg=6.514 SPS=826
bl=626 pos[1]=[-2.6 2.6 -8.6] dr=1.32 t=8260.0ps kin=1.48 pot=20.25 Rg=6.479 SPS=1251
bl=627 pos[1]=[-2.5 1.8 -8.2] dr=1.36 t=8270.0ps kin=1.52 pot=20.26 Rg=6.463 SPS=1303
bl=628 pos[1]=[-2.7 1.1 -8.3] dr=1.31 t=8280.0ps kin=1.48 pot=20.21 Rg=6.421 SPS=1405
bl=629 pos[1]=[-1.5 1.1 -9.4] dr=1.36 t=8290.0ps kin=1.49 pot=20.26 Rg=6.462 SPS=1353
bl=630 pos[1]=[-1.7 1.4 -10.4] dr=1.33 t=8300.0ps kin=1.50 pot=20.23 Rg=6.495 SPS=1372
bl=631 pos[1]=[-0.1 1.6 -10.2] dr=1.36 t=8310.0ps kin=1.53 pot=20.20 Rg=6.509 SPS=1382
bl=632 pos[1]=[-1.3 1.1 -10.6] dr=1.32 t=8320.0ps kin=1.46 pot=20.21 Rg=6.469 SPS=1369
bl=633 pos[1]=[-0.0 1.7 -11.0] dr=1.31 t=8330.0ps kin=1.47 pot=20.23 Rg=6.420 SPS=1053
bl=634 pos[1]=[1.4 2.2 -9.5] dr=1.37 t=8340.0ps kin=1.47 pot=20.22 Rg=6.498 SPS=1185
bl=635 pos[1]=[2.0 2.1 -11.0] dr=1.34 t=8350.0ps kin=1.55 pot=20.28 Rg=6.519 SPS=873
bl=636 pos[1]=[0.6 1.5 -10.7] dr=1.33 t=8360.0ps kin=1.49 pot=20.29 Rg=6.503 SPS=749
bl=637 pos[1]=[-2.2 2.5 -10.9] dr=1.33 t=8370.0ps kin=1.49 pot=20.24 Rg=6.450 SPS=1397
bl=638 pos[1]=[-0.5 2.6 -9.3] dr=1.34 t=8380.0ps kin=1.51 pot=20.27 Rg=6.453 SPS=1393
bl=639 pos[1]=[-0.6 1.6 -8.5] dr=1.34 t=8390.0ps kin=1.46 pot=20.27 Rg=6.463 SPS=1082
bl=640 pos[1]=[0.7 1.1 -9.9] dr=1.38 t=8400.0ps kin=1.55 pot=20.22 Rg=6.470 SPS=1222
bl=641 pos[1]=[1.4 -0.3 -9.7] dr=1.44 t=8410.0ps kin=1.55 pot=20.24 Rg=6.562 SPS=1400
bl=642 pos[1]=[-0.4 -1.2 -9.5] dr=1.40 t=8420.0ps kin=1.51 pot=20.27 Rg=6.570 SPS=1049
bl=643 pos[1]=[-0.4 0.6 -9.9] dr=1.34 t=8430.0ps kin=1.51 pot=20.30 Rg=6.520 SPS=1165
bl=644 pos[1]=[-0.8 -0.1 -8.9] dr=1.34 t=8440.0ps kin=1.50 pot=20.20 Rg=6.454 SPS=1396
bl=645 pos[1]=[0.4 -0.7 -10.2] dr=1.27 t=8450.0ps kin=1.44 pot=20.27 Rg=6.510 SPS=1357
bl=646 pos[1]=[0.6 -1.1 -10.6] dr=1.31 t=8460.0ps kin=1.51 pot=20.18 Rg=6.508 SPS=1339
bl=647 pos[1]=[0.0 0.3 -9.0] dr=1.37 t=8470.0ps kin=1.46 pot=20.26 Rg=6.548 SPS=1376
bl=648 pos[1]=[-0.2 1.1 -7.7] dr=1.37 t=8480.0ps kin=1.51 pot=20.20 Rg=6.565 SPS=1367
bl=649 pos[1]=[0.9 3.9 -8.3] dr=1.42 t=8490.0ps kin=1.50 pot=20.29 Rg=6.507 SPS=1392
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.54841445 -1.21531841 -2.33032639] Rg = 6.507316
median bond size is 0.9674844055380587
three shortest/longest (<10)/ bonds are [0.87722734 0.8853201 0.88631379] [1.09586704 1.10191751 1.10332736]
95 percentile of distance to center is: 9.20632213450535
density of closest 95% monomers is: 0.3941269971080651
density of the core monomers is: 0.717433845497731
min/median/mean/max coordinates are:
x: -10.29, -0.58, -0.55, 8.13
y: -10.15, -1.15, -1.22, 7.73
z: -11.74, -2.19, -2.33, 7.52
Statistics for velocities:
mean kinetic energy is: 1.5006866219620882 should be: 1.5
fastest particles are (in kT): [6.63922776 6.64820036 7.4308614 7.99081913 9.46324269]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.28537518436578
bl=650 pos[1]=[1.1 4.0 -6.3] dr=1.35 t=8500.0ps kin=1.54 pot=20.23 Rg=6.504 SPS=1286
bl=651 pos[1]=[-0.1 4.9 -5.8] dr=1.35 t=8510.0ps kin=1.52 pot=20.35 Rg=6.509 SPS=1091
bl=652 pos[1]=[0.7 4.3 -5.1] dr=1.36 t=8520.0ps kin=1.51 pot=20.27 Rg=6.536 SPS=1295
bl=653 pos[1]=[0.7 5.8 -5.7] dr=1.39 t=8530.0ps kin=1.53 pot=20.31 Rg=6.500 SPS=1290
bl=654 pos[1]=[-0.7 7.4 -3.7] dr=1.35 t=8540.0ps kin=1.53 pot=20.28 Rg=6.514 SPS=1400
bl=655 pos[1]=[-2.1 7.2 -5.3] dr=1.34 t=8550.0ps kin=1.49 pot=20.32 Rg=6.532 SPS=1412
bl=656 pos[1]=[1.5 6.6 -5.0] dr=1.34 t=8560.0ps kin=1.56 pot=20.29 Rg=6.394 SPS=1354
bl=657 pos[1]=[3.1 5.8 -3.1] dr=1.37 t=8570.0ps kin=1.52 pot=20.32 Rg=6.466 SPS=859
bl=658 pos[1]=[5.0 3.5 -4.1] dr=1.40 t=8580.0ps kin=1.54 pot=20.27 Rg=6.471 SPS=1144
bl=659 pos[1]=[4.1 4.4 -3.2] dr=1.42 t=8590.0ps kin=1.52 pot=20.29 Rg=6.472 SPS=1385
bl=660 pos[1]=[4.6 3.7 -4.7] dr=1.38 t=8600.0ps kin=1.52 pot=20.24 Rg=6.429 SPS=949
bl=661 pos[1]=[2.9 2.9 -5.5] dr=1.36 t=8610.0ps kin=1.47 pot=20.27 Rg=6.391 SPS=777
bl=662 pos[1]=[3.6 3.8 -5.0] dr=1.41 t=8620.0ps kin=1.42 pot=20.29 Rg=6.522 SPS=1397
bl=663 pos[1]=[4.9 4.7 -3.9] dr=1.39 t=8630.0ps kin=1.51 pot=20.21 Rg=6.473 SPS=1058
bl=664 pos[1]=[5.7 4.4 -3.1] dr=1.37 t=8640.0ps kin=1.50 pot=20.25 Rg=6.465 SPS=1046
bl=665 pos[1]=[5.2 3.2 -3.4] dr=1.37 t=8650.0ps kin=1.47 pot=20.22 Rg=6.486 SPS=1116
bl=666 pos[1]=[7.0 3.9 -3.8] dr=1.37 t=8660.0ps kin=1.51 pot=20.21 Rg=6.467 SPS=1192
bl=667 pos[1]=[6.4 4.2 -4.0] dr=1.35 t=8670.0ps kin=1.50 pot=20.28 Rg=6.486 SPS=1220
bl=668 pos[1]=[7.2 2.9 -3.6] dr=1.33 t=8680.0ps kin=1.49 pot=20.29 Rg=6.494 SPS=1280
bl=669 pos[1]=[6.7 2.2 -4.6] dr=1.35 t=8690.0ps kin=1.48 pot=20.24 Rg=6.485 SPS=1427
bl=670 pos[1]=[5.2 4.2 -3.9] dr=1.34 t=8700.0ps kin=1.49 pot=20.23 Rg=6.451 SPS=1247
bl=671 pos[1]=[6.2 4.5 -4.2] dr=1.35 t=8710.0ps kin=1.53 pot=20.24 Rg=6.411 SPS=1226
bl=672 pos[1]=[7.6 4.1 -3.9] dr=1.39 t=8720.0ps kin=1.46 pot=20.25 Rg=6.412 SPS=1266
bl=673 pos[1]=[6.1 5.7 -5.0] dr=1.32 t=8730.0ps kin=1.49 pot=20.28 Rg=6.379 SPS=1363
bl=674 pos[1]=[5.8 5.1 -4.8] dr=1.37 t=8740.0ps kin=1.49 pot=20.21 Rg=6.482 SPS=978
bl=675 pos[1]=[9.9 5.2 -7.0] dr=1.36 t=8750.0ps kin=1.46 pot=20.24 Rg=6.441 SPS=1150
bl=676 pos[1]=[12.2 5.0 -6.0] dr=1.45 t=8760.0ps kin=1.54 pot=20.26 Rg=6.531 SPS=1044
bl=677 pos[1]=[12.5 8.5 -7.9] dr=1.40 t=8770.0ps kin=1.48 pot=20.28 Rg=6.579 SPS=872
bl=678 pos[1]=[11.6 6.2 -8.0] dr=1.32 t=8780.0ps kin=1.47 pot=20.29 Rg=6.567 SPS=1255
bl=679 pos[1]=[8.6 7.6 -7.3] dr=1.31 t=8790.0ps kin=1.50 pot=20.25 Rg=6.442 SPS=868
bl=680 pos[1]=[5.0 5.7 -5.0] dr=1.38 t=8800.0ps kin=1.55 pot=20.26 Rg=6.485 SPS=1083
bl=681 pos[1]=[4.8 6.3 -4.9] dr=1.35 t=8810.0ps kin=1.50 pot=20.25 Rg=6.452 SPS=801
bl=682 pos[1]=[4.3 6.2 -4.1] dr=1.35 t=8820.0ps kin=1.52 pot=20.26 Rg=6.423 SPS=1058
bl=683 pos[1]=[1.5 6.1 -4.9] dr=1.31 t=8830.0ps kin=1.52 pot=20.27 Rg=6.462 SPS=1399
bl=684 pos[1]=[1.3 7.2 -5.6] dr=1.43 t=8840.0ps kin=1.50 pot=20.25 Rg=6.557 SPS=1384
bl=685 pos[1]=[1.3 7.4 -5.8] dr=1.40 t=8850.0ps kin=1.45 pot=20.29 Rg=6.482 SPS=1398
bl=686 pos[1]=[3.2 7.5 -7.9] dr=1.32 t=8860.0ps kin=1.46 pot=20.30 Rg=6.479 SPS=1406
bl=687 pos[1]=[2.9 8.5 -9.7] dr=1.37 t=8870.0ps kin=1.59 pot=20.30 Rg=6.419 SPS=1407
bl=688 pos[1]=[5.0 6.5 -12.5] dr=1.38 t=8880.0ps kin=1.52 pot=20.26 Rg=6.485 SPS=1122
bl=689 pos[1]=[2.9 7.1 -10.7] dr=1.42 t=8890.0ps kin=1.49 pot=20.33 Rg=6.579 SPS=1168
bl=690 pos[1]=[3.6 4.9 -11.9] dr=1.34 t=8900.0ps kin=1.51 pot=20.26 Rg=6.499 SPS=1390
bl=691 pos[1]=[3.2 4.4 -11.0] dr=1.35 t=8910.0ps kin=1.43 pot=20.26 Rg=6.491 SPS=773
bl=692 pos[1]=[5.0 4.0 -9.3] dr=1.37 t=8920.0ps kin=1.49 pot=20.25 Rg=6.490 SPS=1215
bl=693 pos[1]=[4.5 2.8 -6.9] dr=1.33 t=8930.0ps kin=1.50 pot=20.24 Rg=6.520 SPS=1138
bl=694 pos[1]=[5.3 3.0 -6.7] dr=1.37 t=8940.0ps kin=1.49 pot=20.26 Rg=6.578 SPS=1184
bl=695 pos[1]=[3.6 2.1 -6.9] dr=1.35 t=8950.0ps kin=1.46 pot=20.25 Rg=6.517 SPS=1394
bl=696 pos[1]=[2.6 2.9 -8.1] dr=1.39 t=8960.0ps kin=1.50 pot=20.24 Rg=6.561 SPS=1395
bl=697 pos[1]=[3.2 2.2 -8.3] dr=1.35 t=8970.0ps kin=1.45 pot=20.31 Rg=6.512 SPS=1204
bl=698 pos[1]=[3.1 3.8 -6.1] dr=1.38 t=8980.0ps kin=1.42 pot=20.29 Rg=6.555 SPS=1395
bl=699 pos[1]=[3.4 4.6 -6.9] dr=1.30 t=8990.0ps kin=1.47 pot=20.23 Rg=6.515 SPS=1393
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.0300922 -1.32197647 -3.01391275] Rg = 6.5145707
median bond size is 0.9642803445302321
three shortest/longest (<10)/ bonds are [0.87648776 0.88154897 0.88206183] [1.07383151 1.07635194 1.07646232]
95 percentile of distance to center is: 9.398914090584231
density of closest 95% monomers is: 0.370392040577812
density of the core monomers is: 0.7230730321107487
min/median/mean/max coordinates are:
x: -10.37, -1.13, -1.03, 9.64
y: -10.75, -1.17, -1.32, 8.12
z: -12.95, -3.02, -3.01, 7.16
Statistics for velocities:
mean kinetic energy is: 1.4733209982373787 should be: 1.5
fastest particles are (in kT): [5.85892027 5.88752073 6.21717987 6.44929225 7.30137414]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.225156710914455
bl=700 pos[1]=[6.1 1.4 -6.1] dr=1.39 t=9000.0ps kin=1.49 pot=20.25 Rg=6.540 SPS=1402
bl=701 pos[1]=[7.6 2.1 -5.5] dr=1.30 t=9010.0ps kin=1.49 pot=20.28 Rg=6.567 SPS=1397
bl=702 pos[1]=[6.8 2.5 -3.2] dr=1.35 t=9020.0ps kin=1.54 pot=20.29 Rg=6.581 SPS=1392
bl=703 pos[1]=[6.4 -0.3 -1.7] dr=1.34 t=9030.0ps kin=1.51 pot=20.22 Rg=6.455 SPS=1405
bl=704 pos[1]=[7.2 -0.6 -1.6] dr=1.33 t=9040.0ps kin=1.48 pot=20.24 Rg=6.469 SPS=1349
bl=705 pos[1]=[5.6 -1.9 -4.6] dr=1.28 t=9050.0ps kin=1.47 pot=20.28 Rg=6.520 SPS=1394
bl=706 pos[1]=[6.4 -1.6 -2.9] dr=1.35 t=9060.0ps kin=1.48 pot=20.33 Rg=6.582 SPS=1209
bl=707 pos[1]=[7.6 -0.5 -3.4] dr=1.38 t=9070.0ps kin=1.51 pot=20.31 Rg=6.659 SPS=989
bl=708 pos[1]=[8.1 2.9 -1.2] dr=1.38 t=9080.0ps kin=1.56 pot=20.33 Rg=6.688 SPS=1131
bl=709 pos[1]=[7.7 3.1 -2.7] dr=1.37 t=9090.0ps kin=1.53 pot=20.35 Rg=6.740 SPS=1376
bl=710 pos[1]=[6.1 1.4 -4.2] dr=1.40 t=9100.0ps kin=1.50 pot=20.36 Rg=6.635 SPS=1390
bl=711 pos[1]=[6.3 2.4 -4.0] dr=1.31 t=9110.0ps kin=1.48 pot=20.31 Rg=6.648 SPS=919
bl=712 pos[1]=[7.6 -0.5 -5.2] dr=1.35 t=9120.0ps kin=1.49 pot=20.32 Rg=6.607 SPS=1029
bl=713 pos[1]=[8.0 -1.7 -6.1] dr=1.42 t=9130.0ps kin=1.58 pot=20.33 Rg=6.592 SPS=910
bl=714 pos[1]=[6.5 -0.2 -3.6] dr=1.36 t=9140.0ps kin=1.57 pot=20.31 Rg=6.574 SPS=1078
bl=715 pos[1]=[5.3 1.8 -5.9] dr=1.34 t=9150.0ps kin=1.55 pot=20.31 Rg=6.535 SPS=1160
bl=716 pos[1]=[5.8 -0.4 -8.2] dr=1.39 t=9160.0ps kin=1.52 pot=20.27 Rg=6.440 SPS=1379
bl=717 pos[1]=[4.7 0.1 -8.2] dr=1.31 t=9170.0ps kin=1.48 pot=20.26 Rg=6.440 SPS=1364
bl=718 pos[1]=[4.0 0.5 -7.1] dr=1.38 t=9180.0ps kin=1.51 pot=20.30 Rg=6.560 SPS=1237
bl=719 pos[1]=[2.4 0.4 -5.8] dr=1.35 t=9190.0ps kin=1.58 pot=20.24 Rg=6.545 SPS=949
bl=720 pos[1]=[3.6 0.8 -6.7] dr=1.38 t=9200.0ps kin=1.45 pot=20.25 Rg=6.507 SPS=1094
bl=721 pos[1]=[3.1 2.3 -6.2] dr=1.30 t=9210.0ps kin=1.47 pot=20.21 Rg=6.459 SPS=894
bl=722 pos[1]=[3.8 2.3 -4.6] dr=1.38 t=9220.0ps kin=1.49 pot=20.23 Rg=6.486 SPS=935
bl=723 pos[1]=[4.7 0.8 -4.5] dr=1.29 t=9230.0ps kin=1.46 pot=20.28 Rg=6.614 SPS=974
bl=724 pos[1]=[3.1 1.4 -5.2] dr=1.34 t=9240.0ps kin=1.48 pot=20.29 Rg=6.599 SPS=953
bl=725 pos[1]=[4.6 0.4 -5.0] dr=1.39 t=9250.0ps kin=1.52 pot=20.31 Rg=6.649 SPS=1260
bl=726 pos[1]=[3.5 2.7 -5.1] dr=1.42 t=9260.0ps kin=1.51 pot=20.24 Rg=6.686 SPS=1389
bl=727 pos[1]=[3.7 2.4 -6.9] dr=1.33 t=9270.0ps kin=1.48 pot=20.29 Rg=6.658 SPS=995
bl=728 pos[1]=[5.6 1.3 -5.3] dr=1.36 t=9280.0ps kin=1.49 pot=20.26 Rg=6.577 SPS=1318
bl=729 pos[1]=[5.7 2.5 -5.3] dr=1.36 t=9290.0ps kin=1.51 pot=20.22 Rg=6.596 SPS=885
bl=730 pos[1]=[3.5 3.4 -4.6] dr=1.30 t=9300.0ps kin=1.44 pot=20.24 Rg=6.612 SPS=1024
bl=731 pos[1]=[5.7 1.7 -4.1] dr=1.33 t=9310.0ps kin=1.55 pot=20.26 Rg=6.559 SPS=837
bl=732 pos[1]=[5.5 3.4 -2.4] dr=1.34 t=9320.0ps kin=1.53 pot=20.26 Rg=6.568 SPS=1381
bl=733 pos[1]=[5.7 3.2 -4.2] dr=1.37 t=9330.0ps kin=1.46 pot=20.29 Rg=6.611 SPS=1392
bl=734 pos[1]=[5.5 4.4 -1.8] dr=1.32 t=9340.0ps kin=1.47 pot=20.29 Rg=6.607 SPS=1385
bl=735 pos[1]=[4.8 4.6 -3.4] dr=1.39 t=9350.0ps kin=1.53 pot=20.26 Rg=6.609 SPS=1402
bl=736 pos[1]=[4.5 4.7 -3.1] dr=1.28 t=9360.0ps kin=1.50 pot=20.22 Rg=6.520 SPS=1404
bl=737 pos[1]=[4.5 3.7 -1.4] dr=1.39 t=9370.0ps kin=1.56 pot=20.25 Rg=6.567 SPS=1379
bl=738 pos[1]=[5.5 2.2 -1.5] dr=1.33 t=9380.0ps kin=1.45 pot=20.36 Rg=6.621 SPS=1407
bl=739 pos[1]=[4.7 2.3 -1.0] dr=1.34 t=9390.0ps kin=1.58 pot=20.25 Rg=6.544 SPS=1181
bl=740 pos[1]=[4.2 2.3 -2.0] dr=1.37 t=9400.0ps kin=1.50 pot=20.27 Rg=6.519 SPS=1422
bl=741 pos[1]=[5.4 1.9 -1.1] dr=1.43 t=9410.0ps kin=1.53 pot=20.22 Rg=6.422 SPS=1399
bl=742 pos[1]=[2.9 0.9 -2.5] dr=1.35 t=9420.0ps kin=1.48 pot=20.28 Rg=6.529 SPS=1393
bl=743 pos[1]=[4.3 2.1 -2.4] dr=1.31 t=9430.0ps kin=1.48 pot=20.27 Rg=6.551 SPS=1398
bl=744 pos[1]=[3.4 1.7 -3.1] dr=1.33 t=9440.0ps kin=1.54 pot=20.19 Rg=6.505 SPS=1396
bl=745 pos[1]=[4.5 1.3 -0.9] dr=1.31 t=9450.0ps kin=1.51 pot=20.28 Rg=6.581 SPS=1202
bl=746 pos[1]=[5.4 0.3 -0.3] dr=1.33 t=9460.0ps kin=1.47 pot=20.23 Rg=6.631 SPS=1403
bl=747 pos[1]=[4.7 0.8 0.1] dr=1.32 t=9470.0ps kin=1.52 pot=20.23 Rg=6.623 SPS=1300
bl=748 pos[1]=[6.0 1.3 -3.0] dr=1.34 t=9480.0ps kin=1.38 pot=20.33 Rg=6.726 SPS=1372
bl=749 pos[1]=[4.7 1.5 -1.4] dr=1.38 t=9490.0ps kin=1.50 pot=20.27 Rg=6.734 SPS=1387
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.97943133 -1.3146511 -2.56165818] Rg = 6.734421
median bond size is 0.964591710537796
three shortest/longest (<10)/ bonds are [0.88623312 0.88867721 0.89099303] [1.09488818 1.09562386 1.11899512]
95 percentile of distance to center is: 9.93378259731421
density of closest 95% monomers is: 0.3137261587715508
density of the core monomers is: 0.7444454778168283
min/median/mean/max coordinates are:
x: -8.87, -1.13, -0.98, 9.05
y: -11.15, -0.92, -1.31, 7.26
z: -12.71, -2.83, -2.56, 7.14
Statistics for velocities:
mean kinetic energy is: 1.5029806655395563 should be: 1.5
fastest particles are (in kT): [7.46018988 7.57153553 8.29504421 8.67433706 9.84940207]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.268435137813423
bl=750 pos[1]=[4.2 2.0 1.0] dr=1.33 t=9500.0ps kin=1.48 pot=20.26 Rg=6.651 SPS=1380
bl=751 pos[1]=[3.7 1.1 1.7] dr=1.32 t=9510.0ps kin=1.50 pot=20.24 Rg=6.628 SPS=1392
bl=752 pos[1]=[3.2 0.2 2.9] dr=1.36 t=9520.0ps kin=1.49 pot=20.26 Rg=6.697 SPS=1220
bl=753 pos[1]=[2.5 1.6 1.8] dr=1.34 t=9530.0ps kin=1.46 pot=20.27 Rg=6.675 SPS=1402
bl=754 pos[1]=[1.7 2.5 0.7] dr=1.36 t=9540.0ps kin=1.50 pot=20.29 Rg=6.611 SPS=1399
bl=755 pos[1]=[3.2 0.7 2.4] dr=1.38 t=9550.0ps kin=1.55 pot=20.18 Rg=6.581 SPS=1396
bl=756 pos[1]=[4.7 0.7 1.9] dr=1.39 t=9560.0ps kin=1.48 pot=20.19 Rg=6.606 SPS=1396
bl=757 pos[1]=[1.7 -0.5 1.8] dr=1.32 t=9570.0ps kin=1.51 pot=20.19 Rg=6.525 SPS=1373
bl=758 pos[1]=[1.8 0.2 2.5] dr=1.31 t=9580.0ps kin=1.57 pot=20.22 Rg=6.593 SPS=1364
bl=759 pos[1]=[2.7 -0.1 0.8] dr=1.37 t=9590.0ps kin=1.49 pot=20.28 Rg=6.642 SPS=1315
bl=760 pos[1]=[3.7 0.1 0.4] dr=1.33 t=9600.0ps kin=1.52 pot=20.23 Rg=6.607 SPS=1118
bl=761 pos[1]=[2.3 0.1 -0.5] dr=1.34 t=9610.0ps kin=1.50 pot=20.30 Rg=6.454 SPS=1187
bl=762 pos[1]=[2.9 0.0 -1.1] dr=1.33 t=9620.0ps kin=1.58 pot=20.24 Rg=6.470 SPS=1381
bl=763 pos[1]=[2.6 0.1 -0.8] dr=1.32 t=9630.0ps kin=1.51 pot=20.27 Rg=6.556 SPS=722
bl=764 pos[1]=[1.9 1.3 -0.5] dr=1.41 t=9640.0ps kin=1.55 pot=20.20 Rg=6.572 SPS=1305
bl=765 pos[1]=[1.4 1.4 0.1] dr=1.33 t=9650.0ps kin=1.44 pot=20.25 Rg=6.568 SPS=1415
bl=766 pos[1]=[2.1 1.9 -0.4] dr=1.34 t=9660.0ps kin=1.46 pot=20.27 Rg=6.583 SPS=1094
bl=767 pos[1]=[1.9 1.1 -0.5] dr=1.40 t=9670.0ps kin=1.48 pot=20.17 Rg=6.487 SPS=1368
bl=768 pos[1]=[2.0 1.5 0.0] dr=1.39 t=9680.0ps kin=1.45 pot=20.23 Rg=6.511 SPS=1377
bl=769 pos[1]=[1.9 1.5 1.0] dr=1.28 t=9690.0ps kin=1.54 pot=20.25 Rg=6.498 SPS=1208
bl=770 pos[1]=[0.9 1.1 0.7] dr=1.37 t=9700.0ps kin=1.55 pot=20.28 Rg=6.565 SPS=1347
bl=771 pos[1]=[0.9 -0.2 1.2] dr=1.35 t=9710.0ps kin=1.46 pot=20.29 Rg=6.573 SPS=1230
bl=772 pos[1]=[0.8 -0.6 2.4] dr=1.29 t=9720.0ps kin=1.47 pot=20.25 Rg=6.617 SPS=1411
bl=773 pos[1]=[1.6 -2.1 3.0] dr=1.38 t=9730.0ps kin=1.50 pot=20.21 Rg=6.592 SPS=1407
bl=774 pos[1]=[3.6 -3.5 3.7] dr=1.34 t=9740.0ps kin=1.46 pot=20.21 Rg=6.575 SPS=1114
bl=775 pos[1]=[4.1 -3.0 1.6] dr=1.35 t=9750.0ps kin=1.51 pot=20.25 Rg=6.539 SPS=970
bl=776 pos[1]=[4.6 -4.2 2.2] dr=1.33 t=9760.0ps kin=1.53 pot=20.26 Rg=6.548 SPS=958
bl=777 pos[1]=[4.3 -2.1 4.9] dr=1.40 t=9770.0ps kin=1.52 pot=20.28 Rg=6.642 SPS=1203
bl=778 pos[1]=[4.3 -1.0 4.7] dr=1.44 t=9780.0ps kin=1.44 pot=20.30 Rg=6.690 SPS=1403
bl=779 pos[1]=[2.7 -1.6 4.5] dr=1.33 t=9790.0ps kin=1.47 pot=20.26 Rg=6.660 SPS=1404
bl=780 pos[1]=[2.4 -3.2 5.0] dr=1.31 t=9800.0ps kin=1.50 pot=20.28 Rg=6.724 SPS=1397
bl=781 pos[1]=[1.9 -3.1 4.7] dr=1.35 t=9810.0ps kin=1.54 pot=20.26 Rg=6.641 SPS=1385
bl=782 pos[1]=[1.8 -2.1 4.9] dr=1.42 t=9820.0ps kin=1.57 pot=20.33 Rg=6.692 SPS=1220
bl=783 pos[1]=[1.3 -2.9 2.9] dr=1.43 t=9830.0ps kin=1.48 pot=20.25 Rg=6.686 SPS=1311
bl=784 pos[1]=[3.1 -4.2 3.8] dr=1.36 t=9840.0ps kin=1.50 pot=20.28 Rg=6.603 SPS=1390
bl=785 pos[1]=[2.9 -4.2 3.9] dr=1.32 t=9850.0ps kin=1.50 pot=20.31 Rg=6.559 SPS=1349
bl=786 pos[1]=[2.4 -4.5 2.6] dr=1.40 t=9860.0ps kin=1.52 pot=20.28 Rg=6.541 SPS=1412
bl=787 pos[1]=[1.5 -4.2 3.0] dr=1.34 t=9870.0ps kin=1.51 pot=20.27 Rg=6.494 SPS=1396
bl=788 pos[1]=[2.8 -4.1 3.6] dr=1.31 t=9880.0ps kin=1.51 pot=20.26 Rg=6.417 SPS=1165
bl=789 pos[1]=[2.7 -3.8 3.3] dr=1.28 t=9890.0ps kin=1.52 pot=20.26 Rg=6.457 SPS=1416
bl=790 pos[1]=[1.6 -2.6 2.3] dr=1.36 t=9900.0ps kin=1.50 pot=20.24 Rg=6.477 SPS=1416
bl=791 pos[1]=[1.4 -1.4 1.9] dr=1.30 t=9910.0ps kin=1.48 pot=20.17 Rg=6.518 SPS=862
bl=792 pos[1]=[2.4 -1.5 2.8] dr=1.32 t=9920.0ps kin=1.47 pot=20.20 Rg=6.450 SPS=894
bl=793 pos[1]=[1.2 -1.7 3.8] dr=1.36 t=9930.0ps kin=1.53 pot=20.21 Rg=6.501 SPS=753
bl=794 pos[1]=[3.4 -2.5 5.9] dr=1.34 t=9940.0ps kin=1.47 pot=20.30 Rg=6.556 SPS=1355
bl=795 pos[1]=[3.1 -2.5 5.4] dr=1.35 t=9950.0ps kin=1.52 pot=20.24 Rg=6.466 SPS=1396
bl=796 pos[1]=[4.9 -3.3 6.4] dr=1.33 t=9960.0ps kin=1.54 pot=20.20 Rg=6.453 SPS=1394
bl=797 pos[1]=[4.7 -3.9 6.5] dr=1.36 t=9970.0ps kin=1.52 pot=20.26 Rg=6.435 SPS=1369
bl=798 pos[1]=[4.9 -3.6 4.1] dr=1.36 t=9980.0ps kin=1.48 pot=20.30 Rg=6.490 SPS=1389
bl=799 pos[1]=[6.0 -2.5 5.6] dr=1.30 t=9990.0ps kin=1.53 pot=20.27 Rg=6.438 SPS=1389
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.68445921 -1.45504117 -1.89885574] Rg = 6.4381843
median bond size is 0.9651651229480207
three shortest/longest (<10)/ bonds are [0.87382823 0.88401133 0.88573222] [1.07904812 1.08962767 1.09791616]
95 percentile of distance to center is: 8.981964185997109
density of closest 95% monomers is: 0.424405231189161
density of the core monomers is: 0.7071862472040378
min/median/mean/max coordinates are:
x: -9.90, -0.69, -0.68, 7.67
y: -10.64, -1.23, -1.46, 7.69
z: -11.43, -1.98, -1.90, 7.49
Statistics for velocities:
mean kinetic energy is: 1.5337542732879859 should be: 1.5
fastest particles are (in kT): [6.92851132 7.09292483 7.32341768 7.99151748 8.07360332]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.26888596976401
bl=800 pos[1]=[5.0 -2.0 4.6] dr=1.33 t=10000.0ps kin=1.56 pot=20.28 Rg=6.445 SPS=1392
bl=801 pos[1]=[3.7 -1.8 3.8] dr=1.33 t=10010.0ps kin=1.46 pot=20.25 Rg=6.491 SPS=1392
bl=802 pos[1]=[3.5 0.4 3.2] dr=1.38 t=10020.0ps kin=1.53 pot=20.22 Rg=6.509 SPS=1387
bl=803 pos[1]=[3.8 -0.4 3.4] dr=1.37 t=10030.0ps kin=1.52 pot=20.28 Rg=6.479 SPS=1383
bl=804 pos[1]=[4.5 -1.1 3.6] dr=1.38 t=10040.0ps kin=1.50 pot=20.32 Rg=6.523 SPS=1403
bl=805 pos[1]=[3.3 -0.4 1.9] dr=1.41 t=10050.0ps kin=1.56 pot=20.23 Rg=6.460 SPS=1171
bl=806 pos[1]=[3.9 -0.9 3.2] dr=1.42 t=10060.0ps kin=1.50 pot=20.25 Rg=6.487 SPS=756
bl=807 pos[1]=[4.5 -1.5 3.2] dr=1.37 t=10070.0ps kin=1.54 pot=20.22 Rg=6.534 SPS=885
bl=808 pos[1]=[3.4 -1.5 3.1] dr=1.39 t=10080.0ps kin=1.55 pot=20.22 Rg=6.502 SPS=741
bl=809 pos[1]=[2.0 -3.1 2.9] dr=1.30 t=10090.0ps kin=1.44 pot=20.28 Rg=6.463 SPS=1268
bl=810 pos[1]=[2.6 -1.7 3.4] dr=1.34 t=10100.0ps kin=1.49 pot=20.25 Rg=6.476 SPS=709
bl=811 pos[1]=[2.5 -1.2 2.8] dr=1.38 t=10110.0ps kin=1.48 pot=20.25 Rg=6.543 SPS=1221
bl=812 pos[1]=[2.0 -0.7 2.8] dr=1.33 t=10120.0ps kin=1.48 pot=20.24 Rg=6.566 SPS=1210
bl=813 pos[1]=[1.5 -0.8 2.8] dr=1.32 t=10130.0ps kin=1.47 pot=20.24 Rg=6.569 SPS=733
bl=814 pos[1]=[2.3 -2.9 2.5] dr=1.42 t=10140.0ps kin=1.48 pot=20.28 Rg=6.609 SPS=990
bl=815 pos[1]=[2.0 -1.6 2.2] dr=1.36 t=10150.0ps kin=1.46 pot=20.33 Rg=6.569 SPS=779
bl=816 pos[1]=[2.2 -2.9 3.4] dr=1.29 t=10160.0ps kin=1.50 pot=20.31 Rg=6.532 SPS=1074
bl=817 pos[1]=[1.9 -2.0 4.1] dr=1.35 t=10170.0ps kin=1.47 pot=20.23 Rg=6.484 SPS=1358
bl=818 pos[1]=[2.0 0.5 4.2] dr=1.38 t=10180.0ps kin=1.49 pot=20.29 Rg=6.548 SPS=901
bl=819 pos[1]=[2.6 0.5 5.0] dr=1.38 t=10190.0ps kin=1.55 pot=20.22 Rg=6.591 SPS=898
bl=820 pos[1]=[3.1 0.6 3.6] dr=1.34 t=10200.0ps kin=1.44 pot=20.34 Rg=6.581 SPS=1267
bl=821 pos[1]=[2.3 3.8 4.4] dr=1.37 t=10210.0ps kin=1.40 pot=20.26 Rg=6.629 SPS=1259
bl=822 pos[1]=[2.0 5.0 3.1] dr=1.35 t=10220.0ps kin=1.47 pot=20.29 Rg=6.534 SPS=1374
bl=823 pos[1]=[1.5 4.4 2.3] dr=1.36 t=10230.0ps kin=1.49 pot=20.23 Rg=6.537 SPS=980
bl=824 pos[1]=[0.4 4.3 1.5] dr=1.31 t=10240.0ps kin=1.53 pot=20.31 Rg=6.568 SPS=759
bl=825 pos[1]=[-0.1 5.8 2.3] dr=1.40 t=10250.0ps kin=1.49 pot=20.33 Rg=6.602 SPS=748
bl=826 pos[1]=[-2.8 5.2 2.5] dr=1.38 t=10260.0ps kin=1.46 pot=20.28 Rg=6.527 SPS=1270
bl=827 pos[1]=[-1.1 6.6 -0.6] dr=1.37 t=10270.0ps kin=1.45 pot=20.29 Rg=6.580 SPS=1221
bl=828 pos[1]=[3.0 5.1 -0.9] dr=1.33 t=10280.0ps kin=1.50 pot=20.31 Rg=6.520 SPS=1408
bl=829 pos[1]=[6.0 4.5 0.6] dr=1.38 t=10290.0ps kin=1.50 pot=20.35 Rg=6.583 SPS=1361
bl=830 pos[1]=[4.7 3.3 1.9] dr=1.37 t=10300.0ps kin=1.47 pot=20.36 Rg=6.579 SPS=1223
bl=831 pos[1]=[3.3 4.9 1.2] dr=1.33 t=10310.0ps kin=1.56 pot=20.27 Rg=6.536 SPS=1378
bl=832 pos[1]=[4.0 4.6 0.6] dr=1.38 t=10320.0ps kin=1.50 pot=20.30 Rg=6.577 SPS=1370
bl=833 pos[1]=[2.5 5.0 -2.1] dr=1.33 t=10330.0ps kin=1.49 pot=20.28 Rg=6.501 SPS=760
bl=834 pos[1]=[3.5 3.9 -0.5] dr=1.36 t=10340.0ps kin=1.51 pot=20.30 Rg=6.493 SPS=1013
bl=835 pos[1]=[2.6 4.4 -1.5] dr=1.33 t=10350.0ps kin=1.51 pot=20.25 Rg=6.552 SPS=812
bl=836 pos[1]=[2.3 3.7 -2.5] dr=1.42 t=10360.0ps kin=1.52 pot=20.27 Rg=6.593 SPS=1142
bl=837 pos[1]=[2.7 4.8 -5.5] dr=1.36 t=10370.0ps kin=1.45 pot=20.22 Rg=6.546 SPS=1265
bl=838 pos[1]=[2.3 4.3 -5.9] dr=1.39 t=10380.0ps kin=1.49 pot=20.23 Rg=6.493 SPS=1396
bl=839 pos[1]=[2.9 2.9 -6.3] dr=1.30 t=10390.0ps kin=1.48 pot=20.23 Rg=6.464 SPS=979
bl=840 pos[1]=[2.6 4.5 -6.1] dr=1.35 t=10400.0ps kin=1.51 pot=20.22 Rg=6.471 SPS=781
bl=841 pos[1]=[3.9 4.9 -4.5] dr=1.31 t=10410.0ps kin=1.51 pot=20.19 Rg=6.389 SPS=1383
bl=842 pos[1]=[4.2 4.8 -4.0] dr=1.34 t=10420.0ps kin=1.54 pot=20.18 Rg=6.499 SPS=894
bl=843 pos[1]=[2.3 3.4 -2.5] dr=1.35 t=10430.0ps kin=1.49 pot=20.22 Rg=6.541 SPS=1004
bl=844 pos[1]=[2.5 5.8 -1.0] dr=1.38 t=10440.0ps kin=1.46 pot=20.29 Rg=6.537 SPS=1195
bl=845 pos[1]=[2.5 5.1 -1.5] dr=1.35 t=10450.0ps kin=1.46 pot=20.30 Rg=6.549 SPS=1278
bl=846 pos[1]=[1.7 3.7 -2.2] dr=1.36 t=10460.0ps kin=1.45 pot=20.29 Rg=6.537 SPS=819
bl=847 pos[1]=[1.1 3.5 -2.3] dr=1.36 t=10470.0ps kin=1.51 pot=20.25 Rg=6.515 SPS=943
bl=848 pos[1]=[1.6 4.5 -1.7] dr=1.32 t=10480.0ps kin=1.51 pot=20.21 Rg=6.464 SPS=1223
bl=849 pos[1]=[1.8 4.4 -0.4] dr=1.34 t=10490.0ps kin=1.49 pot=20.26 Rg=6.507 SPS=1394
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.36897426 -2.99437061 -2.82491229] Rg = 6.507029
median bond size is 0.9644574731975019
three shortest/longest (<10)/ bonds are [0.88162577 0.89258152 0.89443449] [1.07086095 1.07477423 1.10468138]
95 percentile of distance to center is: 9.18279405291538
density of closest 95% monomers is: 0.3971642529988141
density of the core monomers is: 0.6277029400931985
min/median/mean/max coordinates are:
x: -10.11, -0.46, -0.37, 9.25
y: -11.30, -3.23, -2.99, 5.36
z: -11.19, -2.84, -2.82, 7.34
Statistics for velocities:
mean kinetic energy is: 1.4959723434255354 should be: 1.5
fastest particles are (in kT): [7.11773733 7.17407776 7.65079043 7.92090609 8.0402216 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.256300124446902
bl=850 pos[1]=[1.9 5.1 -2.9] dr=1.41 t=10500.0ps kin=1.49 pot=20.31 Rg=6.525 SPS=1393
bl=851 pos[1]=[3.8 4.6 -2.2] dr=1.42 t=10510.0ps kin=1.48 pot=20.28 Rg=6.529 SPS=951
bl=852 pos[1]=[3.0 3.3 -4.0] dr=1.41 t=10520.0ps kin=1.51 pot=20.23 Rg=6.426 SPS=885
bl=853 pos[1]=[1.4 1.8 -3.6] dr=1.32 t=10530.0ps kin=1.46 pot=20.26 Rg=6.502 SPS=1110
bl=854 pos[1]=[2.0 1.4 -2.5] dr=1.39 t=10540.0ps kin=1.44 pot=20.26 Rg=6.501 SPS=1383
bl=855 pos[1]=[1.8 1.0 -2.9] dr=1.41 t=10550.0ps kin=1.55 pot=20.27 Rg=6.476 SPS=1377
bl=856 pos[1]=[2.8 1.0 -2.9] dr=1.36 t=10560.0ps kin=1.52 pot=20.30 Rg=6.449 SPS=1303
bl=857 pos[1]=[2.6 -0.2 -3.1] dr=1.34 t=10570.0ps kin=1.48 pot=20.27 Rg=6.480 SPS=1398
bl=858 pos[1]=[3.2 -0.5 -3.9] dr=1.33 t=10580.0ps kin=1.49 pot=20.23 Rg=6.500 SPS=1389
bl=859 pos[1]=[4.4 -0.1 -2.7] dr=1.36 t=10590.0ps kin=1.49 pot=20.26 Rg=6.560 SPS=1399
bl=860 pos[1]=[4.5 0.2 -3.2] dr=1.40 t=10600.0ps kin=1.50 pot=20.31 Rg=6.560 SPS=1401
bl=861 pos[1]=[3.8 1.2 -3.3] dr=1.35 t=10610.0ps kin=1.46 pot=20.27 Rg=6.560 SPS=1394
bl=862 pos[1]=[3.7 0.4 -2.7] dr=1.32 t=10620.0ps kin=1.50 pot=20.20 Rg=6.483 SPS=1397
bl=863 pos[1]=[3.2 -0.2 -2.9] dr=1.32 t=10630.0ps kin=1.46 pot=20.27 Rg=6.519 SPS=1398
bl=864 pos[1]=[3.0 0.7 -3.5] dr=1.39 t=10640.0ps kin=1.52 pot=20.24 Rg=6.484 SPS=1401
bl=865 pos[1]=[2.7 -0.6 -4.0] dr=1.33 t=10650.0ps kin=1.47 pot=20.26 Rg=6.453 SPS=1392
bl=866 pos[1]=[1.9 -1.3 -2.9] dr=1.34 t=10660.0ps kin=1.49 pot=20.28 Rg=6.451 SPS=1398
bl=867 pos[1]=[3.5 -1.0 -3.0] dr=1.35 t=10670.0ps kin=1.56 pot=20.20 Rg=6.401 SPS=1401
bl=868 pos[1]=[2.0 -1.9 -2.0] dr=1.35 t=10680.0ps kin=1.44 pot=20.33 Rg=6.465 SPS=1399
bl=869 pos[1]=[3.4 -1.7 -2.0] dr=1.35 t=10690.0ps kin=1.48 pot=20.26 Rg=6.446 SPS=1410
bl=870 pos[1]=[2.9 -1.9 -2.4] dr=1.31 t=10700.0ps kin=1.47 pot=20.31 Rg=6.337 SPS=1385
bl=871 pos[1]=[3.4 -0.7 -2.0] dr=1.29 t=10710.0ps kin=1.47 pot=20.23 Rg=6.335 SPS=1395
bl=872 pos[1]=[3.6 0.6 -2.0] dr=1.29 t=10720.0ps kin=1.49 pot=20.27 Rg=6.444 SPS=1399
bl=873 pos[1]=[3.4 -0.4 -2.8] dr=1.36 t=10730.0ps kin=1.48 pot=20.28 Rg=6.428 SPS=1414
bl=874 pos[1]=[2.7 0.5 -2.0] dr=1.35 t=10740.0ps kin=1.48 pot=20.31 Rg=6.386 SPS=1408
bl=875 pos[1]=[2.5 -0.1 -3.3] dr=1.35 t=10750.0ps kin=1.51 pot=20.32 Rg=6.386 SPS=1386
bl=876 pos[1]=[2.4 0.8 -3.2] dr=1.34 t=10760.0ps kin=1.54 pot=20.27 Rg=6.404 SPS=1363
bl=877 pos[1]=[1.2 0.7 -3.6] dr=1.40 t=10770.0ps kin=1.54 pot=20.27 Rg=6.456 SPS=1379
bl=878 pos[1]=[2.4 0.7 -2.7] dr=1.34 t=10780.0ps kin=1.50 pot=20.27 Rg=6.458 SPS=1385
bl=879 pos[1]=[1.0 -0.9 -3.5] dr=1.39 t=10790.0ps kin=1.50 pot=20.28 Rg=6.486 SPS=1382
bl=880 pos[1]=[0.6 -1.7 -2.2] dr=1.44 t=10800.0ps kin=1.51 pot=20.30 Rg=6.504 SPS=1384
bl=881 pos[1]=[1.6 -1.8 -0.8] dr=1.43 t=10810.0ps kin=1.57 pot=20.27 Rg=6.524 SPS=1388
bl=882 pos[1]=[1.5 -0.5 -1.3] dr=1.39 t=10820.0ps kin=1.51 pot=20.26 Rg=6.539 SPS=1407
bl=883 pos[1]=[1.2 -0.2 -2.7] dr=1.33 t=10830.0ps kin=1.48 pot=20.22 Rg=6.452 SPS=1398
bl=884 pos[1]=[1.0 0.7 -3.2] dr=1.30 t=10840.0ps kin=1.54 pot=20.20 Rg=6.394 SPS=1411
bl=885 pos[1]=[1.4 1.1 -3.0] dr=1.33 t=10850.0ps kin=1.43 pot=20.20 Rg=6.421 SPS=1389
bl=886 pos[1]=[1.8 0.0 -2.9] dr=1.28 t=10860.0ps kin=1.47 pot=20.23 Rg=6.384 SPS=1284
bl=887 pos[1]=[1.2 0.8 -1.8] dr=1.34 t=10870.0ps kin=1.48 pot=20.24 Rg=6.441 SPS=1364
bl=888 pos[1]=[1.3 0.8 -1.5] dr=1.31 t=10880.0ps kin=1.48 pot=20.23 Rg=6.415 SPS=1389
bl=889 pos[1]=[2.1 1.7 -1.8] dr=1.37 t=10890.0ps kin=1.48 pot=20.19 Rg=6.391 SPS=1401
bl=890 pos[1]=[1.6 1.4 -2.3] dr=1.38 t=10900.0ps kin=1.48 pot=20.27 Rg=6.429 SPS=1358
bl=891 pos[1]=[1.5 1.2 -2.7] dr=1.32 t=10910.0ps kin=1.51 pot=20.23 Rg=6.478 SPS=1371
bl=892 pos[1]=[1.1 1.9 -5.4] dr=1.42 t=10920.0ps kin=1.48 pot=20.27 Rg=6.524 SPS=1370
bl=893 pos[1]=[-0.9 3.5 -5.4] dr=1.41 t=10930.0ps kin=1.50 pot=20.29 Rg=6.468 SPS=1397
bl=894 pos[1]=[1.3 1.9 -2.7] dr=1.32 t=10940.0ps kin=1.55 pot=20.31 Rg=6.526 SPS=1384
bl=895 pos[1]=[0.0 3.3 -4.1] dr=1.33 t=10950.0ps kin=1.49 pot=20.30 Rg=6.520 SPS=1393
bl=896 pos[1]=[0.4 5.6 -3.9] dr=1.37 t=10960.0ps kin=1.51 pot=20.26 Rg=6.549 SPS=1384
bl=897 pos[1]=[3.1 4.6 -4.9] dr=1.34 t=10970.0ps kin=1.47 pot=20.24 Rg=6.553 SPS=1381
bl=898 pos[1]=[1.3 4.5 -4.2] dr=1.40 t=10980.0ps kin=1.54 pot=20.31 Rg=6.562 SPS=1389
bl=899 pos[1]=[1.5 1.3 -3.7] dr=1.36 t=10990.0ps kin=1.51 pot=20.27 Rg=6.512 SPS=1379
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-0.75286068 -3.44702266 -2.7043263 ] Rg = 6.5115094
median bond size is 0.9643363378533146
three shortest/longest (<10)/ bonds are [0.89068148 0.89197531 0.8946916 ] [1.06114954 1.06483556 1.08304199]
95 percentile of distance to center is: 9.197212486459582
density of closest 95% monomers is: 0.39529928129210923
density of the core monomers is: 0.7114076649684354
min/median/mean/max coordinates are:
x: -10.59, -0.77, -0.75, 9.24
y: -11.20, -3.55, -3.45, 4.98
z: -12.05, -2.48, -2.70, 8.71
Statistics for velocities:
mean kinetic energy is: 1.5101502013368142 should be: 1.5
fastest particles are (in kT): [5.85892424 5.88793116 6.08985327 6.13848537 6.28485797]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.269989283738937
bl=900 pos[1]=[1.1 1.1 -4.5] dr=1.30 t=11000.0ps kin=1.52 pot=20.24 Rg=6.487 SPS=1408
bl=901 pos[1]=[0.2 1.7 -4.8] dr=1.33 t=11010.0ps kin=1.51 pot=20.31 Rg=6.553 SPS=1394
bl=902 pos[1]=[0.3 3.6 -4.7] dr=1.30 t=11020.0ps kin=1.48 pot=20.30 Rg=6.475 SPS=1386
bl=903 pos[1]=[-1.2 5.2 -5.1] dr=1.31 t=11030.0ps kin=1.51 pot=20.27 Rg=6.437 SPS=1386
bl=904 pos[1]=[-1.8 4.7 -2.7] dr=1.35 t=11040.0ps kin=1.51 pot=20.32 Rg=6.451 SPS=1408
bl=905 pos[1]=[-0.7 5.2 -2.0] dr=1.36 t=11050.0ps kin=1.51 pot=20.33 Rg=6.383 SPS=1387
bl=906 pos[1]=[-0.3 5.3 -4.2] dr=1.33 t=11060.0ps kin=1.52 pot=20.25 Rg=6.432 SPS=1400
bl=907 pos[1]=[-0.6 5.2 -2.2] dr=1.34 t=11070.0ps kin=1.49 pot=20.23 Rg=6.430 SPS=1411
bl=908 pos[1]=[-0.0 4.9 -3.2] dr=1.32 t=11080.0ps kin=1.49 pot=20.18 Rg=6.332 SPS=1345
bl=909 pos[1]=[-1.0 6.2 -5.2] dr=1.34 t=11090.0ps kin=1.44 pot=20.15 Rg=6.391 SPS=1378
bl=910 pos[1]=[0.4 3.8 -5.8] dr=1.31 t=11100.0ps kin=1.43 pot=20.19 Rg=6.386 SPS=1397
bl=911 pos[1]=[1.2 4.7 -6.6] dr=1.34 t=11110.0ps kin=1.48 pot=20.25 Rg=6.468 SPS=1407
bl=912 pos[1]=[1.5 4.6 -7.3] dr=1.36 t=11120.0ps kin=1.48 pot=20.31 Rg=6.480 SPS=1371
bl=913 pos[1]=[3.6 2.8 -6.0] dr=1.27 t=11130.0ps kin=1.46 pot=20.29 Rg=6.425 SPS=1390
bl=914 pos[1]=[1.5 3.4 -7.3] dr=1.32 t=11140.0ps kin=1.52 pot=20.27 Rg=6.449 SPS=1390
bl=915 pos[1]=[-1.7 1.3 -7.2] dr=1.34 t=11150.0ps kin=1.51 pot=20.24 Rg=6.443 SPS=809
bl=916 pos[1]=[-2.5 1.9 -5.7] dr=1.33 t=11160.0ps kin=1.48 pot=20.25 Rg=6.440 SPS=1101
bl=917 pos[1]=[-2.4 2.2 -5.9] dr=1.36 t=11170.0ps kin=1.48 pot=20.30 Rg=6.425 SPS=1069
bl=918 pos[1]=[-1.9 4.1 -5.7] dr=1.39 t=11180.0ps kin=1.49 pot=20.23 Rg=6.429 SPS=1382
bl=919 pos[1]=[-1.1 2.0 -7.9] dr=1.33 t=11190.0ps kin=1.48 pot=20.25 Rg=6.452 SPS=847
bl=920 pos[1]=[-1.0 3.1 -6.3] dr=1.36 t=11200.0ps kin=1.48 pot=20.27 Rg=6.554 SPS=932
bl=921 pos[1]=[0.7 0.6 -7.9] dr=1.36 t=11210.0ps kin=1.48 pot=20.26 Rg=6.519 SPS=1032
bl=922 pos[1]=[2.3 0.9 -8.2] dr=1.34 t=11220.0ps kin=1.50 pot=20.22 Rg=6.540 SPS=1385
bl=923 pos[1]=[1.7 0.2 -6.3] dr=1.40 t=11230.0ps kin=1.50 pot=20.30 Rg=6.619 SPS=1421
bl=924 pos[1]=[3.6 0.3 -5.8] dr=1.32 t=11240.0ps kin=1.48 pot=20.32 Rg=6.670 SPS=1213
bl=925 pos[1]=[3.2 1.3 -4.4] dr=1.40 t=11250.0ps kin=1.45 pot=20.34 Rg=6.659 SPS=1393
bl=926 pos[1]=[2.1 0.7 -3.0] dr=1.32 t=11260.0ps kin=1.50 pot=20.22 Rg=6.632 SPS=1034
bl=927 pos[1]=[2.5 2.3 -3.8] dr=1.39 t=11270.0ps kin=1.47 pot=20.27 Rg=6.555 SPS=988
bl=928 pos[1]=[3.0 0.9 -3.5] dr=1.35 t=11280.0ps kin=1.50 pot=20.26 Rg=6.515 SPS=907
bl=929 pos[1]=[3.9 1.4 -4.5] dr=1.40 t=11290.0ps kin=1.47 pot=20.31 Rg=6.557 SPS=1327
bl=930 pos[1]=[4.0 1.2 -4.8] dr=1.38 t=11300.0ps kin=1.51 pot=20.30 Rg=6.469 SPS=1403
bl=931 pos[1]=[3.7 0.5 -4.1] dr=1.35 t=11310.0ps kin=1.47 pot=20.27 Rg=6.466 SPS=1399
bl=932 pos[1]=[3.6 0.3 -1.8] dr=1.38 t=11320.0ps kin=1.51 pot=20.32 Rg=6.531 SPS=1026
bl=933 pos[1]=[3.5 -0.4 -1.1] dr=1.40 t=11330.0ps kin=1.50 pot=20.31 Rg=6.613 SPS=1079
bl=934 pos[1]=[3.6 -0.1 -0.7] dr=1.34 t=11340.0ps kin=1.44 pot=20.27 Rg=6.528 SPS=1418
bl=935 pos[1]=[3.7 -1.0 -0.3] dr=1.33 t=11350.0ps kin=1.53 pot=20.27 Rg=6.427 SPS=1137
bl=936 pos[1]=[3.8 -0.8 -0.9] dr=1.42 t=11360.0ps kin=1.50 pot=20.35 Rg=6.593 SPS=1402
bl=937 pos[1]=[4.8 -1.3 -1.8] dr=1.33 t=11370.0ps kin=1.48 pot=20.33 Rg=6.582 SPS=1407
bl=938 pos[1]=[4.0 -1.8 -2.0] dr=1.35 t=11380.0ps kin=1.59 pot=20.27 Rg=6.530 SPS=1401
bl=939 pos[1]=[4.1 -0.5 -3.1] dr=1.31 t=11390.0ps kin=1.51 pot=20.25 Rg=6.576 SPS=1321
bl=940 pos[1]=[3.8 -1.6 -2.6] dr=1.38 t=11400.0ps kin=1.48 pot=20.27 Rg=6.507 SPS=1340
bl=941 pos[1]=[4.3 -1.1 -4.3] dr=1.36 t=11410.0ps kin=1.44 pot=20.26 Rg=6.553 SPS=1414
bl=942 pos[1]=[4.4 -1.4 -3.1] dr=1.34 t=11420.0ps kin=1.45 pot=20.24 Rg=6.502 SPS=1411
bl=943 pos[1]=[6.2 -0.5 -2.1] dr=1.36 t=11430.0ps kin=1.46 pot=20.23 Rg=6.458 SPS=852
bl=944 pos[1]=[5.3 0.0 -1.2] dr=1.33 t=11440.0ps kin=1.49 pot=20.25 Rg=6.492 SPS=919
bl=945 pos[1]=[4.4 1.8 -1.0] dr=1.26 t=11450.0ps kin=1.55 pot=20.29 Rg=6.499 SPS=728
bl=946 pos[1]=[3.3 1.2 -1.3] dr=1.39 t=11460.0ps kin=1.48 pot=20.33 Rg=6.577 SPS=1222
bl=947 pos[1]=[3.9 2.1 -0.6] dr=1.38 t=11470.0ps kin=1.48 pot=20.35 Rg=6.564 SPS=1401
bl=948 pos[1]=[1.8 3.0 -1.7] dr=1.38 t=11480.0ps kin=1.55 pot=20.21 Rg=6.396 SPS=1390
bl=949 pos[1]=[0.6 3.0 -3.4] dr=1.33 t=11490.0ps kin=1.51 pot=20.24 Rg=6.395 SPS=908
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.6816506 -3.14581697 -2.6395928 ] Rg = 6.3952394
median bond size is 0.9636385162664354
three shortest/longest (<10)/ bonds are [0.88071392 0.8836012 0.88530801] [1.08290526 1.08373564 1.08447163]
95 percentile of distance to center is: 8.866361590562935
density of closest 95% monomers is: 0.44122322938104186
density of the core monomers is: 0.7692989459531425
min/median/mean/max coordinates are:
x: -11.60, -1.75, -1.68, 7.05
y: -11.21, -3.13, -3.15, 5.92
z: -12.27, -2.41, -2.64, 6.15
Statistics for velocities:
mean kinetic energy is: 1.5142910103215808 should be: 1.5
fastest particles are (in kT): [6.59285492 6.78370209 6.88224682 7.31267846 8.58490195]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.24380070058997
bl=950 pos[1]=[-0.0 4.3 -4.0] dr=1.38 t=11500.0ps kin=1.53 pot=20.24 Rg=6.435 SPS=1159
bl=951 pos[1]=[1.3 4.5 -4.1] dr=1.29 t=11510.0ps kin=1.45 pot=20.23 Rg=6.434 SPS=1409
bl=952 pos[1]=[-0.1 4.1 -4.6] dr=1.41 t=11520.0ps kin=1.50 pot=20.31 Rg=6.470 SPS=1403
bl=953 pos[1]=[-1.9 4.6 -2.8] dr=1.37 t=11530.0ps kin=1.47 pot=20.33 Rg=6.520 SPS=1080
bl=954 pos[1]=[-0.7 3.1 -5.6] dr=1.37 t=11540.0ps kin=1.53 pot=20.26 Rg=6.549 SPS=1395
bl=955 pos[1]=[0.5 3.1 -3.4] dr=1.35 t=11550.0ps kin=1.54 pot=20.32 Rg=6.552 SPS=934
bl=956 pos[1]=[0.8 1.9 -3.8] dr=1.37 t=11560.0ps kin=1.51 pot=20.25 Rg=6.447 SPS=960
bl=957 pos[1]=[1.7 3.2 -4.1] dr=1.39 t=11570.0ps kin=1.53 pot=20.26 Rg=6.434 SPS=1172
bl=958 pos[1]=[2.4 2.0 -3.3] dr=1.41 t=11580.0ps kin=1.51 pot=20.28 Rg=6.417 SPS=994
bl=959 pos[1]=[1.5 1.2 -3.4] dr=1.37 t=11590.0ps kin=1.53 pot=20.26 Rg=6.533 SPS=1266
bl=960 pos[1]=[1.8 1.4 -2.7] dr=1.32 t=11600.0ps kin=1.50 pot=20.27 Rg=6.474 SPS=1393
bl=961 pos[1]=[1.9 0.7 -3.4] dr=1.38 t=11610.0ps kin=1.46 pot=20.30 Rg=6.495 SPS=1178
bl=962 pos[1]=[1.4 0.9 -2.4] dr=1.34 t=11620.0ps kin=1.50 pot=20.23 Rg=6.476 SPS=1397
bl=963 pos[1]=[0.8 1.5 -2.1] dr=1.38 t=11630.0ps kin=1.55 pot=20.30 Rg=6.521 SPS=1255
bl=964 pos[1]=[2.4 1.3 -1.2] dr=1.43 t=11640.0ps kin=1.55 pot=20.21 Rg=6.450 SPS=978
bl=965 pos[1]=[1.0 0.5 -2.5] dr=1.35 t=11650.0ps kin=1.51 pot=20.26 Rg=6.479 SPS=1097
bl=966 pos[1]=[1.6 2.2 -0.9] dr=1.42 t=11660.0ps kin=1.52 pot=20.27 Rg=6.579 SPS=1113
bl=967 pos[1]=[2.4 1.7 -2.5] dr=1.34 t=11670.0ps kin=1.47 pot=20.27 Rg=6.544 SPS=1416
bl=968 pos[1]=[2.3 -0.3 -2.1] dr=1.31 t=11680.0ps kin=1.52 pot=20.26 Rg=6.496 SPS=1393
bl=969 pos[1]=[1.8 0.5 -1.4] dr=1.39 t=11690.0ps kin=1.52 pot=20.31 Rg=6.548 SPS=1370
bl=970 pos[1]=[1.9 -0.0 -1.8] dr=1.39 t=11700.0ps kin=1.49 pot=20.25 Rg=6.497 SPS=1398
bl=971 pos[1]=[4.4 3.6 -1.4] dr=1.37 t=11710.0ps kin=1.48 pot=20.26 Rg=6.471 SPS=1400
bl=972 pos[1]=[5.1 3.0 -2.3] dr=1.34 t=11720.0ps kin=1.48 pot=20.21 Rg=6.509 SPS=1397
bl=973 pos[1]=[4.5 3.2 -0.5] dr=1.37 t=11730.0ps kin=1.44 pot=20.30 Rg=6.610 SPS=1398
bl=974 pos[1]=[1.2 2.4 -2.2] dr=1.39 t=11740.0ps kin=1.45 pot=20.26 Rg=6.506 SPS=1402
bl=975 pos[1]=[0.8 5.0 -4.9] dr=1.35 t=11750.0ps kin=1.52 pot=20.25 Rg=6.547 SPS=1400
bl=976 pos[1]=[3.9 3.9 -5.9] dr=1.35 t=11760.0ps kin=1.52 pot=20.24 Rg=6.611 SPS=1312
bl=977 pos[1]=[4.8 3.8 -5.5] dr=1.39 t=11770.0ps kin=1.52 pot=20.24 Rg=6.587 SPS=1397
bl=978 pos[1]=[2.8 3.3 -3.7] dr=1.38 t=11780.0ps kin=1.54 pot=20.19 Rg=6.493 SPS=1405
bl=979 pos[1]=[2.1 3.7 -2.8] dr=1.40 t=11790.0ps kin=1.48 pot=20.21 Rg=6.525 SPS=1091
bl=980 pos[1]=[1.4 3.3 -4.8] dr=1.42 t=11800.0ps kin=1.44 pot=20.27 Rg=6.534 SPS=1171
bl=981 pos[1]=[0.6 3.2 -3.6] dr=1.33 t=11810.0ps kin=1.50 pot=20.28 Rg=6.530 SPS=770
bl=982 pos[1]=[1.0 1.9 -3.4] dr=1.42 t=11820.0ps kin=1.43 pot=20.27 Rg=6.497 SPS=1096
bl=983 pos[1]=[0.6 1.5 -3.9] dr=1.31 t=11830.0ps kin=1.54 pot=20.27 Rg=6.498 SPS=921
bl=984 pos[1]=[1.6 2.4 -4.4] dr=1.38 t=11840.0ps kin=1.48 pot=20.29 Rg=6.535 SPS=776
bl=985 pos[1]=[0.5 5.0 -3.9] dr=1.43 t=11850.0ps kin=1.47 pot=20.32 Rg=6.599 SPS=1172
bl=986 pos[1]=[0.5 2.1 -0.3] dr=1.34 t=11860.0ps kin=1.49 pot=20.32 Rg=6.603 SPS=1277
bl=987 pos[1]=[0.7 1.8 -0.6] dr=1.39 t=11870.0ps kin=1.58 pot=20.28 Rg=6.484 SPS=1181
bl=988 pos[1]=[1.9 4.5 -2.4] dr=1.40 t=11880.0ps kin=1.54 pot=20.28 Rg=6.507 SPS=938
bl=989 pos[1]=[5.4 2.0 -3.6] dr=1.33 t=11890.0ps kin=1.56 pot=20.31 Rg=6.500 SPS=1083
bl=990 pos[1]=[3.4 2.3 -5.0] dr=1.37 t=11900.0ps kin=1.47 pot=20.30 Rg=6.478 SPS=1397
bl=991 pos[1]=[2.9 1.5 -5.0] dr=1.30 t=11910.0ps kin=1.45 pot=20.21 Rg=6.455 SPS=1213
bl=992 pos[1]=[2.9 1.5 -5.5] dr=1.35 t=11920.0ps kin=1.47 pot=20.22 Rg=6.431 SPS=1326
bl=993 pos[1]=[2.7 2.6 -5.1] dr=1.33 t=11930.0ps kin=1.48 pot=20.26 Rg=6.472 SPS=728
bl=994 pos[1]=[3.2 1.7 -2.8] dr=1.34 t=11940.0ps kin=1.49 pot=20.31 Rg=6.488 SPS=1198
bl=995 pos[1]=[3.3 -0.5 -0.9] dr=1.37 t=11950.0ps kin=1.49 pot=20.24 Rg=6.373 SPS=972
bl=996 pos[1]=[3.2 1.3 -1.2] dr=1.36 t=11960.0ps kin=1.50 pot=20.25 Rg=6.470 SPS=816
bl=997 pos[1]=[3.5 1.2 -2.7] dr=1.39 t=11970.0ps kin=1.53 pot=20.28 Rg=6.516 SPS=766
bl=998 pos[1]=[2.9 0.9 -3.3] dr=1.37 t=11980.0ps kin=1.49 pot=20.30 Rg=6.561 SPS=1209
bl=999 pos[1]=[1.6 -0.9 -2.0] dr=1.32 t=11990.0ps kin=1.54 pot=20.25 Rg=6.560 SPS=1378
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-2.846894 -2.73936837 -5.24267102] Rg = 6.559523
median bond size is 0.9653113032330437
three shortest/longest (<10)/ bonds are [0.88140834 0.8833904 0.88498461] [1.08401828 1.08939463 1.10966194]
95 percentile of distance to center is: 9.561302787105037
density of closest 95% monomers is: 0.351838589210883
density of the core monomers is: 0.6763156161413657
min/median/mean/max coordinates are:
x: -13.77, -2.81, -2.85, 6.38
y: -10.38, -2.77, -2.74, 5.03
z: -16.07, -5.05, -5.24, 3.57
Statistics for velocities:
mean kinetic energy is: 1.5435705110985234 should be: 1.5
fastest particles are (in kT): [6.75808071 7.72472037 8.08164501 8.56820459 8.69930484]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.246260831489675
bl=1000 pos[1]=[1.9 -0.3 -2.2] dr=1.34 t=12000.0ps kin=1.57 pot=20.27 Rg=6.655 SPS=1354
bl=1001 pos[1]=[3.3 0.4 -2.4] dr=1.36 t=12010.0ps kin=1.47 pot=20.31 Rg=6.644 SPS=1396
bl=1002 pos[1]=[3.5 0.1 -3.8] dr=1.35 t=12020.0ps kin=1.50 pot=20.27 Rg=6.513 SPS=1396
bl=1003 pos[1]=[5.4 -0.1 -2.9] dr=1.35 t=12030.0ps kin=1.53 pot=20.29 Rg=6.576 SPS=1134
bl=1004 pos[1]=[5.8 1.1 -3.3] dr=1.36 t=12040.0ps kin=1.52 pot=20.35 Rg=6.568 SPS=1113
bl=1005 pos[1]=[7.0 1.7 -7.7] dr=1.44 t=12050.0ps kin=1.54 pot=20.33 Rg=6.619 SPS=929
bl=1006 pos[1]=[6.0 1.3 -7.1] dr=1.38 t=12060.0ps kin=1.51 pot=20.35 Rg=6.535 SPS=1088
bl=1007 pos[1]=[6.8 3.4 -8.6] dr=1.34 t=12070.0ps kin=1.48 pot=20.31 Rg=6.557 SPS=1210
bl=1008 pos[1]=[5.4 2.1 -9.6] dr=1.44 t=12080.0ps kin=1.48 pot=20.29 Rg=6.473 SPS=1384
bl=1009 pos[1]=[6.8 2.0 -8.7] dr=1.38 t=12090.0ps kin=1.46 pot=20.33 Rg=6.590 SPS=927
bl=1010 pos[1]=[6.8 1.3 -7.5] dr=1.37 t=12100.0ps kin=1.50 pot=20.34 Rg=6.574 SPS=1296
bl=1011 pos[1]=[6.2 0.4 -6.7] dr=1.41 t=12110.0ps kin=1.58 pot=20.30 Rg=6.582 SPS=1389
bl=1012 pos[1]=[5.3 0.0 -8.1] dr=1.32 t=12120.0ps kin=1.50 pot=20.32 Rg=6.544 SPS=1408
bl=1013 pos[1]=[7.2 -1.0 -4.1] dr=1.41 t=12130.0ps kin=1.51 pot=20.32 Rg=6.593 SPS=1398
bl=1014 pos[1]=[5.5 -0.0 -2.1] dr=1.36 t=12140.0ps kin=1.51 pot=20.29 Rg=6.618 SPS=1401
bl=1015 pos[1]=[6.1 1.5 -2.1] dr=1.39 t=12150.0ps kin=1.56 pot=20.29 Rg=6.623 SPS=964
bl=1016 pos[1]=[5.6 -0.2 -2.5] dr=1.33 t=12160.0ps kin=1.46 pot=20.26 Rg=6.471 SPS=925
bl=1017 pos[1]=[7.9 0.2 -3.2] dr=1.35 t=12170.0ps kin=1.46 pot=20.25 Rg=6.511 SPS=1297
bl=1018 pos[1]=[10.4 -3.3 -3.1] dr=1.36 t=12180.0ps kin=1.49 pot=20.25 Rg=6.549 SPS=1426
bl=1019 pos[1]=[9.3 -5.4 -5.1] dr=1.32 t=12190.0ps kin=1.44 pot=20.29 Rg=6.693 SPS=1184
bl=1020 pos[1]=[6.7 -4.1 -4.7] dr=1.36 t=12200.0ps kin=1.50 pot=20.31 Rg=6.607 SPS=1386
bl=1021 pos[1]=[5.7 -3.3 -5.6] dr=1.34 t=12210.0ps kin=1.43 pot=20.35 Rg=6.596 SPS=1147
bl=1022 pos[1]=[5.8 -3.7 -5.4] dr=1.35 t=12220.0ps kin=1.49 pot=20.23 Rg=6.567 SPS=1165
bl=1023 pos[1]=[5.8 -0.9 -5.2] dr=1.34 t=12230.0ps kin=1.50 pot=20.25 Rg=6.533 SPS=1060
bl=1024 pos[1]=[5.0 -2.0 -4.2] dr=1.33 t=12240.0ps kin=1.52 pot=20.25 Rg=6.454 SPS=1207
bl=1025 pos[1]=[5.2 -1.2 -4.3] dr=1.38 t=12250.0ps kin=1.45 pot=20.32 Rg=6.546 SPS=1180
bl=1026 pos[1]=[4.0 -2.2 -4.8] dr=1.39 t=12260.0ps kin=1.46 pot=20.23 Rg=6.508 SPS=1371
bl=1027 pos[1]=[5.1 -2.1 -5.0] dr=1.32 t=12270.0ps kin=1.52 pot=20.24 Rg=6.494 SPS=1128
bl=1028 pos[1]=[4.7 0.3 -4.9] dr=1.42 t=12280.0ps kin=1.46 pot=20.26 Rg=6.484 SPS=1244
bl=1029 pos[1]=[3.9 0.4 -1.8] dr=1.36 t=12290.0ps kin=1.49 pot=20.28 Rg=6.560 SPS=1403
bl=1030 pos[1]=[1.5 2.3 -2.6] dr=1.31 t=12300.0ps kin=1.50 pot=20.30 Rg=6.573 SPS=1396
bl=1031 pos[1]=[1.1 2.6 -3.5] dr=1.32 t=12310.0ps kin=1.49 pot=20.28 Rg=6.481 SPS=1048
bl=1032 pos[1]=[-0.5 2.0 -2.6] dr=1.41 t=12320.0ps kin=1.56 pot=20.30 Rg=6.537 SPS=1386
bl=1033 pos[1]=[1.2 2.3 -2.4] dr=1.43 t=12330.0ps kin=1.48 pot=20.28 Rg=6.592 SPS=997
bl=1034 pos[1]=[0.3 1.2 -2.4] dr=1.37 t=12340.0ps kin=1.49 pot=20.30 Rg=6.472 SPS=928
bl=1035 pos[1]=[0.1 0.3 -2.8] dr=1.37 t=12350.0ps kin=1.54 pot=20.24 Rg=6.455 SPS=922
bl=1036 pos[1]=[-0.1 1.4 -0.6] dr=1.37 t=12360.0ps kin=1.51 pot=20.27 Rg=6.407 SPS=866
bl=1037 pos[1]=[-0.3 -1.8 -1.8] dr=1.37 t=12370.0ps kin=1.44 pot=20.26 Rg=6.459 SPS=1093
bl=1038 pos[1]=[0.8 -0.6 -1.8] dr=1.32 t=12380.0ps kin=1.49 pot=20.24 Rg=6.464 SPS=1179
bl=1039 pos[1]=[2.0 -0.3 -1.2] dr=1.34 t=12390.0ps kin=1.50 pot=20.26 Rg=6.486 SPS=1386
bl=1040 pos[1]=[1.7 -0.2 -1.9] dr=1.40 t=12400.0ps kin=1.49 pot=20.23 Rg=6.518 SPS=1316
bl=1041 pos[1]=[0.8 -0.1 -2.4] dr=1.38 t=12410.0ps kin=1.55 pot=20.22 Rg=6.497 SPS=1395
bl=1042 pos[1]=[0.6 0.9 -2.9] dr=1.35 t=12420.0ps kin=1.51 pot=20.23 Rg=6.558 SPS=1031
bl=1043 pos[1]=[1.3 0.2 -2.5] dr=1.31 t=12430.0ps kin=1.52 pot=20.25 Rg=6.535 SPS=1379
bl=1044 pos[1]=[2.1 0.0 -1.3] dr=1.30 t=12440.0ps kin=1.46 pot=20.20 Rg=6.557 SPS=1371
bl=1045 pos[1]=[2.5 1.0 -2.3] dr=1.29 t=12450.0ps kin=1.47 pot=20.23 Rg=6.535 SPS=1152
bl=1046 pos[1]=[1.6 1.1 -1.6] dr=1.26 t=12460.0ps kin=1.44 pot=20.23 Rg=6.491 SPS=1431
bl=1047 pos[1]=[2.9 2.8 -2.2] dr=1.39 t=12470.0ps kin=1.53 pot=20.30 Rg=6.559 SPS=1420
bl=1048 pos[1]=[2.7 1.9 -2.9] dr=1.36 t=12480.0ps kin=1.48 pot=20.30 Rg=6.543 SPS=1414
bl=1049 pos[1]=[0.2 2.8 -2.9] dr=1.34 t=12490.0ps kin=1.43 pot=20.28 Rg=6.550 SPS=1217
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-3.85666847 -2.5622152 -5.23854875] Rg = 6.5503507
median bond size is 0.9670138093246486
three shortest/longest (<10)/ bonds are [0.88280617 0.88938249 0.89035837] [1.06918918 1.07276008 1.08730762]
95 percentile of distance to center is: 9.440274774997155
density of closest 95% monomers is: 0.36554494239133817
density of the core monomers is: 0.6577612164116995
min/median/mean/max coordinates are:
x: -14.01, -3.77, -3.86, 5.23
y: -12.61, -2.45, -2.56, 6.60
z: -14.45, -5.02, -5.24, 3.22
Statistics for velocities:
mean kinetic energy is: 1.4380251380337905 should be: 1.5
fastest particles are (in kT): [6.38000106 6.85171292 7.02365798 7.12707964 7.34769902]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.280221584623895
bl=1050 pos[1]=[3.0 0.7 -2.0] dr=1.40 t=12500.0ps kin=1.49 pot=20.23 Rg=6.555 SPS=1067
bl=1051 pos[1]=[6.0 -0.6 -4.2] dr=1.32 t=12510.0ps kin=1.50 pot=20.32 Rg=6.548 SPS=1417
bl=1052 pos[1]=[6.1 -1.8 -4.7] dr=1.34 t=12520.0ps kin=1.50 pot=20.31 Rg=6.570 SPS=1407
bl=1053 pos[1]=[6.0 -1.7 -5.0] dr=1.39 t=12530.0ps kin=1.50 pot=20.27 Rg=6.579 SPS=1432
bl=1054 pos[1]=[6.1 0.2 -5.5] dr=1.40 t=12540.0ps kin=1.48 pot=20.30 Rg=6.569 SPS=1428
bl=1055 pos[1]=[4.9 3.6 -5.1] dr=1.41 t=12550.0ps kin=1.51 pot=20.29 Rg=6.579 SPS=1412
bl=1056 pos[1]=[3.1 5.2 -4.1] dr=1.36 t=12560.0ps kin=1.48 pot=20.27 Rg=6.577 SPS=1413
bl=1057 pos[1]=[1.3 4.5 -1.3] dr=1.30 t=12570.0ps kin=1.49 pot=20.30 Rg=6.534 SPS=1123
bl=1058 pos[1]=[-0.7 4.4 -0.3] dr=1.42 t=12580.0ps kin=1.48 pot=20.27 Rg=6.536 SPS=1405
bl=1059 pos[1]=[-4.0 3.8 -0.6] dr=1.42 t=12590.0ps kin=1.53 pot=20.31 Rg=6.541 SPS=1420
bl=1060 pos[1]=[-3.5 4.0 -1.1] dr=1.39 t=12600.0ps kin=1.52 pot=20.31 Rg=6.573 SPS=1365
bl=1061 pos[1]=[-3.6 3.4 -0.8] dr=1.38 t=12610.0ps kin=1.51 pot=20.31 Rg=6.539 SPS=1004
bl=1062 pos[1]=[-1.4 4.6 1.7] dr=1.33 t=12620.0ps kin=1.49 pot=20.29 Rg=6.589 SPS=746
bl=1063 pos[1]=[0.8 3.4 -0.4] dr=1.41 t=12630.0ps kin=1.55 pot=20.26 Rg=6.449 SPS=783
bl=1064 pos[1]=[-2.8 5.5 0.8] dr=1.38 t=12640.0ps kin=1.55 pot=20.34 Rg=6.479 SPS=911
bl=1065 pos[1]=[-5.4 5.3 0.5] dr=1.31 t=12650.0ps kin=1.53 pot=20.27 Rg=6.551 SPS=1269
bl=1066 pos[1]=[-5.3 2.4 -0.5] dr=1.34 t=12660.0ps kin=1.45 pot=20.27 Rg=6.570 SPS=859
bl=1067 pos[1]=[-3.0 0.8 1.2] dr=1.36 t=12670.0ps kin=1.45 pot=20.31 Rg=6.512 SPS=773
bl=1068 pos[1]=[-2.0 0.5 -0.3] dr=1.40 t=12680.0ps kin=1.50 pot=20.31 Rg=6.607 SPS=1176
bl=1069 pos[1]=[-0.7 2.0 -0.2] dr=1.33 t=12690.0ps kin=1.49 pot=20.27 Rg=6.546 SPS=975
bl=1070 pos[1]=[-1.0 0.7 -1.8] dr=1.38 t=12700.0ps kin=1.46 pot=20.34 Rg=6.612 SPS=945
bl=1071 pos[1]=[-1.7 2.1 -0.6] dr=1.43 t=12710.0ps kin=1.51 pot=20.28 Rg=6.627 SPS=1175
bl=1072 pos[1]=[-2.9 2.2 0.3] dr=1.37 t=12720.0ps kin=1.48 pot=20.22 Rg=6.568 SPS=1399
bl=1073 pos[1]=[-3.6 1.5 -0.7] dr=1.23 t=12730.0ps kin=1.42 pot=20.28 Rg=6.599 SPS=812
bl=1074 pos[1]=[-4.3 1.9 -1.6] dr=1.30 t=12740.0ps kin=1.48 pot=20.24 Rg=6.491 SPS=814
bl=1075 pos[1]=[-4.8 2.7 -1.9] dr=1.34 t=12750.0ps kin=1.48 pot=20.25 Rg=6.491 SPS=1140
bl=1076 pos[1]=[-4.9 1.8 -1.4] dr=1.36 t=12760.0ps kin=1.53 pot=20.24 Rg=6.571 SPS=1395
bl=1077 pos[1]=[-5.6 2.8 0.3] dr=1.35 t=12770.0ps kin=1.50 pot=20.22 Rg=6.532 SPS=979
bl=1078 pos[1]=[-5.4 1.1 -1.9] dr=1.33 t=12780.0ps kin=1.54 pot=20.25 Rg=6.478 SPS=910
bl=1079 pos[1]=[-4.8 3.1 -1.6] dr=1.36 t=12790.0ps kin=1.55 pot=20.23 Rg=6.548 SPS=760
bl=1080 pos[1]=[-4.7 3.2 -1.4] dr=1.32 t=12800.0ps kin=1.39 pot=20.32 Rg=6.566 SPS=1025
bl=1081 pos[1]=[-6.0 -0.0 -1.9] dr=1.27 t=12810.0ps kin=1.45 pot=20.28 Rg=6.510 SPS=1264
bl=1082 pos[1]=[-5.1 0.6 -2.2] dr=1.31 t=12820.0ps kin=1.50 pot=20.28 Rg=6.560 SPS=1332
bl=1083 pos[1]=[-5.3 -0.9 -1.1] dr=1.39 t=12830.0ps kin=1.51 pot=20.27 Rg=6.483 SPS=1210
bl=1084 pos[1]=[-4.4 0.6 -0.8] dr=1.41 t=12840.0ps kin=1.49 pot=20.24 Rg=6.548 SPS=928
bl=1085 pos[1]=[-4.8 -0.0 -2.6] dr=1.38 t=12850.0ps kin=1.54 pot=20.28 Rg=6.543 SPS=1103
bl=1086 pos[1]=[-5.0 -1.4 -2.0] dr=1.39 t=12860.0ps kin=1.51 pot=20.29 Rg=6.544 SPS=1368
bl=1087 pos[1]=[-4.8 -0.8 -2.3] dr=1.35 t=12870.0ps kin=1.46 pot=20.27 Rg=6.585 SPS=1402
bl=1088 pos[1]=[-3.8 -0.4 -1.8] dr=1.33 t=12880.0ps kin=1.51 pot=20.21 Rg=6.512 SPS=1127
bl=1089 pos[1]=[-4.7 -0.3 -2.3] dr=1.34 t=12890.0ps kin=1.49 pot=20.22 Rg=6.458 SPS=961
bl=1090 pos[1]=[-5.4 -0.3 -2.7] dr=1.34 t=12900.0ps kin=1.46 pot=20.27 Rg=6.519 SPS=845
bl=1091 pos[1]=[-5.8 0.8 -1.3] dr=1.42 t=12910.0ps kin=1.51 pot=20.23 Rg=6.511 SPS=1248
bl=1092 pos[1]=[-4.8 1.5 -0.9] dr=1.34 t=12920.0ps kin=1.45 pot=20.25 Rg=6.569 SPS=918
bl=1093 pos[1]=[-3.7 1.9 -0.3] dr=1.35 t=12930.0ps kin=1.49 pot=20.24 Rg=6.584 SPS=1002
bl=1094 pos[1]=[-2.4 2.8 -0.0] dr=1.42 t=12940.0ps kin=1.56 pot=20.30 Rg=6.493 SPS=962
bl=1095 pos[1]=[-3.2 2.7 1.8] dr=1.35 t=12950.0ps kin=1.49 pot=20.32 Rg=6.505 SPS=741
bl=1096 pos[1]=[-0.3 1.0 0.8] dr=1.37 t=12960.0ps kin=1.46 pot=20.30 Rg=6.534 SPS=1260
bl=1097 pos[1]=[1.0 3.3 -0.2] dr=1.36 t=12970.0ps kin=1.52 pot=20.26 Rg=6.521 SPS=1351
bl=1098 pos[1]=[2.5 3.9 -1.9] dr=1.39 t=12980.0ps kin=1.51 pot=20.26 Rg=6.463 SPS=1042
bl=1099 pos[1]=[2.2 4.2 -0.5] dr=1.37 t=12990.0ps kin=1.49 pot=20.29 Rg=6.534 SPS=1375
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-4.67757132 -2.03875754 -5.52601169] Rg = 6.5338964
median bond size is 0.9656555115074003
three shortest/longest (<10)/ bonds are [0.87902602 0.87923479 0.88298111] [1.08233161 1.11191273 1.11738094]
95 percentile of distance to center is: 9.29780894061198
density of closest 95% monomers is: 0.3826069304537222
density of the core monomers is: 0.6020288340098827
min/median/mean/max coordinates are:
x: -12.52, -4.94, -4.68, 5.00
y: -12.65, -2.05, -2.04, 7.11
z: -15.22, -5.28, -5.53, 2.29
Statistics for velocities:
mean kinetic energy is: 1.4889769933512356 should be: 1.5
fastest particles are (in kT): [6.29112644 6.29669144 6.55363397 7.0584035 8.12215426]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.28673632236357
bl=1100 pos[1]=[2.4 4.5 -0.9] dr=1.35 t=13000.0ps kin=1.52 pot=20.26 Rg=6.448 SPS=1371
bl=1101 pos[1]=[4.0 2.2 -3.8] dr=1.36 t=13010.0ps kin=1.56 pot=20.30 Rg=6.493 SPS=1409
bl=1102 pos[1]=[3.0 3.2 -3.7] dr=1.41 t=13020.0ps kin=1.55 pot=20.23 Rg=6.480 SPS=1389
bl=1103 pos[1]=[2.5 1.6 -4.9] dr=1.34 t=13030.0ps kin=1.50 pot=20.30 Rg=6.540 SPS=804
bl=1104 pos[1]=[3.8 0.5 -2.2] dr=1.40 t=13040.0ps kin=1.49 pot=20.29 Rg=6.545 SPS=1241
bl=1105 pos[1]=[3.9 1.2 0.5] dr=1.37 t=13050.0ps kin=1.52 pot=20.26 Rg=6.423 SPS=1401
bl=1106 pos[1]=[2.6 2.5 -2.0] dr=1.37 t=13060.0ps kin=1.45 pot=20.25 Rg=6.437 SPS=1366
bl=1107 pos[1]=[4.2 2.2 -3.0] dr=1.38 t=13070.0ps kin=1.54 pot=20.28 Rg=6.488 SPS=1390
bl=1108 pos[1]=[3.6 1.1 -0.3] dr=1.37 t=13080.0ps kin=1.50 pot=20.27 Rg=6.566 SPS=1400
bl=1109 pos[1]=[1.8 -2.1 0.6] dr=1.35 t=13090.0ps kin=1.45 pot=20.22 Rg=6.454 SPS=1386
bl=1110 pos[1]=[2.0 -3.5 -2.5] dr=1.34 t=13100.0ps kin=1.51 pot=20.21 Rg=6.480 SPS=1395
bl=1111 pos[1]=[2.4 -4.0 -2.6] dr=1.36 t=13110.0ps kin=1.49 pot=20.31 Rg=6.570 SPS=1396
bl=1112 pos[1]=[3.8 -4.5 -4.0] dr=1.34 t=13120.0ps kin=1.45 pot=20.31 Rg=6.618 SPS=1400
bl=1113 pos[1]=[8.0 -5.0 -5.3] dr=1.37 t=13130.0ps kin=1.52 pot=20.35 Rg=6.573 SPS=1395
bl=1114 pos[1]=[6.0 -2.8 -4.2] dr=1.37 t=13140.0ps kin=1.53 pot=20.31 Rg=6.528 SPS=1423
bl=1115 pos[1]=[6.2 -1.6 -4.5] dr=1.35 t=13150.0ps kin=1.53 pot=20.29 Rg=6.490 SPS=1245
bl=1116 pos[1]=[6.9 -0.7 -4.7] dr=1.33 t=13160.0ps kin=1.48 pot=20.25 Rg=6.468 SPS=1405
bl=1117 pos[1]=[8.2 -0.2 -7.7] dr=1.39 t=13170.0ps kin=1.50 pot=20.25 Rg=6.446 SPS=1318
bl=1118 pos[1]=[9.3 -1.1 -5.7] dr=1.35 t=13180.0ps kin=1.51 pot=20.24 Rg=6.392 SPS=1400
bl=1119 pos[1]=[9.3 -1.3 -5.6] dr=1.35 t=13190.0ps kin=1.50 pot=20.24 Rg=6.487 SPS=1392
bl=1120 pos[1]=[6.2 -0.6 -5.5] dr=1.39 t=13200.0ps kin=1.56 pot=20.27 Rg=6.539 SPS=1373
bl=1121 pos[1]=[6.8 1.0 -1.8] dr=1.40 t=13210.0ps kin=1.49 pot=20.24 Rg=6.485 SPS=1365
bl=1122 pos[1]=[7.1 -0.1 -2.3] dr=1.32 t=13220.0ps kin=1.47 pot=20.22 Rg=6.545 SPS=1385
bl=1123 pos[1]=[6.1 1.4 -2.9] dr=1.28 t=13230.0ps kin=1.51 pot=20.23 Rg=6.455 SPS=1387
bl=1124 pos[1]=[5.3 0.4 -3.5] dr=1.34 t=13240.0ps kin=1.48 pot=20.30 Rg=6.580 SPS=1402
bl=1125 pos[1]=[2.4 0.9 -4.8] dr=1.40 t=13250.0ps kin=1.47 pot=20.27 Rg=6.490 SPS=1422
bl=1126 pos[1]=[3.9 3.0 -5.2] dr=1.30 t=13260.0ps kin=1.49 pot=20.27 Rg=6.506 SPS=1399
bl=1127 pos[1]=[2.4 4.2 -1.9] dr=1.32 t=13270.0ps kin=1.50 pot=20.25 Rg=6.497 SPS=1385
bl=1128 pos[1]=[1.2 2.3 -5.8] dr=1.29 t=13280.0ps kin=1.50 pot=20.23 Rg=6.479 SPS=1380
bl=1129 pos[1]=[0.3 2.6 -7.0] dr=1.34 t=13290.0ps kin=1.47 pot=20.26 Rg=6.563 SPS=1392
bl=1130 pos[1]=[-0.3 2.0 -6.7] dr=1.34 t=13300.0ps kin=1.49 pot=20.22 Rg=6.514 SPS=785
bl=1131 pos[1]=[-1.7 2.2 -6.0] dr=1.30 t=13310.0ps kin=1.51 pot=20.26 Rg=6.488 SPS=1145
bl=1132 pos[1]=[-1.5 2.3 -6.9] dr=1.35 t=13320.0ps kin=1.46 pot=20.28 Rg=6.513 SPS=1382
bl=1133 pos[1]=[-1.2 2.3 -6.1] dr=1.38 t=13330.0ps kin=1.46 pot=20.23 Rg=6.472 SPS=1313
bl=1134 pos[1]=[-1.9 3.7 -4.7] dr=1.31 t=13340.0ps kin=1.44 pot=20.23 Rg=6.549 SPS=838
bl=1135 pos[1]=[-0.0 4.3 -3.7] dr=1.43 t=13350.0ps kin=1.48 pot=20.30 Rg=6.490 SPS=1096
bl=1136 pos[1]=[-0.4 4.4 -3.5] dr=1.31 t=13360.0ps kin=1.47 pot=20.31 Rg=6.443 SPS=1402
bl=1137 pos[1]=[-2.4 4.1 -4.2] dr=1.35 t=13370.0ps kin=1.52 pot=20.25 Rg=6.384 SPS=1378
bl=1138 pos[1]=[-2.3 4.1 -3.3] dr=1.33 t=13380.0ps kin=1.52 pot=20.21 Rg=6.492 SPS=1356
bl=1139 pos[1]=[-2.4 4.3 -3.1] dr=1.37 t=13390.0ps kin=1.50 pot=20.23 Rg=6.507 SPS=1381
bl=1140 pos[1]=[-2.8 3.8 -2.5] dr=1.32 t=13400.0ps kin=1.54 pot=20.24 Rg=6.516 SPS=1402
bl=1141 pos[1]=[-3.0 4.1 -3.2] dr=1.38 t=13410.0ps kin=1.51 pot=20.25 Rg=6.552 SPS=1148
bl=1142 pos[1]=[-3.0 5.1 -2.1] dr=1.36 t=13420.0ps kin=1.53 pot=20.23 Rg=6.539 SPS=1394
bl=1143 pos[1]=[-0.1 4.6 -3.0] dr=1.34 t=13430.0ps kin=1.47 pot=20.27 Rg=6.575 SPS=1156
bl=1144 pos[1]=[-0.3 5.2 -3.3] dr=1.33 t=13440.0ps kin=1.49 pot=20.21 Rg=6.525 SPS=1375
bl=1145 pos[1]=[-1.3 5.1 -4.8] dr=1.32 t=13450.0ps kin=1.49 pot=20.24 Rg=6.453 SPS=1232
bl=1146 pos[1]=[-2.1 6.1 -5.4] dr=1.31 t=13460.0ps kin=1.42 pot=20.24 Rg=6.429 SPS=1412
bl=1147 pos[1]=[-2.5 4.3 -6.5] dr=1.33 t=13470.0ps kin=1.48 pot=20.30 Rg=6.399 SPS=1319
bl=1148 pos[1]=[-2.2 3.8 -4.6] dr=1.33 t=13480.0ps kin=1.51 pot=20.20 Rg=6.432 SPS=1253
bl=1149 pos[1]=[-1.5 4.2 -4.7] dr=1.29 t=13490.0ps kin=1.43 pot=20.21 Rg=6.402 SPS=1310
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-4.75178879 -2.410092 -6.54710215] Rg = 6.4024854
median bond size is 0.9651285270066227
three shortest/longest (<10)/ bonds are [0.88220207 0.89303247 0.8973222 ] [1.07182673 1.07415409 1.09558775]
95 percentile of distance to center is: 8.971975753365681
density of closest 95% monomers is: 0.4258242712091179
density of the core monomers is: 0.6728745188956103
min/median/mean/max coordinates are:
x: -13.70, -4.94, -4.75, 5.49
y: -11.72, -2.32, -2.41, 6.57
z: -15.25, -6.62, -6.55, 1.80
Statistics for velocities:
mean kinetic energy is: 1.4314393845697435 should be: 1.5
fastest particles are (in kT): [7.20229099 7.45434401 7.49296495 8.18674763 8.55277042]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.21282004747419
bl=1150 pos[1]=[-1.6 4.2 -4.4] dr=1.32 t=13500.0ps kin=1.53 pot=20.26 Rg=6.388 SPS=1203
bl=1151 pos[1]=[0.6 1.8 -3.6] dr=1.39 t=13510.0ps kin=1.49 pot=20.20 Rg=6.358 SPS=1389
bl=1152 pos[1]=[-0.5 1.5 -3.0] dr=1.37 t=13520.0ps kin=1.50 pot=20.21 Rg=6.380 SPS=1334
bl=1153 pos[1]=[-1.6 1.7 -3.7] dr=1.40 t=13530.0ps kin=1.52 pot=20.20 Rg=6.385 SPS=1365
bl=1154 pos[1]=[-2.3 1.8 -3.3] dr=1.36 t=13540.0ps kin=1.47 pot=20.24 Rg=6.391 SPS=1071
bl=1155 pos[1]=[-3.5 2.1 -3.5] dr=1.36 t=13550.0ps kin=1.44 pot=20.24 Rg=6.387 SPS=1171
bl=1156 pos[1]=[-2.0 2.1 -4.2] dr=1.31 t=13560.0ps kin=1.43 pot=20.20 Rg=6.443 SPS=1315
bl=1157 pos[1]=[-1.8 2.8 -2.4] dr=1.34 t=13570.0ps kin=1.46 pot=20.25 Rg=6.399 SPS=1219
bl=1158 pos[1]=[-1.8 0.9 -3.4] dr=1.35 t=13580.0ps kin=1.49 pot=20.24 Rg=6.372 SPS=1197
bl=1159 pos[1]=[-0.8 0.3 -3.3] dr=1.35 t=13590.0ps kin=1.47 pot=20.23 Rg=6.430 SPS=1394
bl=1160 pos[1]=[0.5 0.4 -2.0] dr=1.34 t=13600.0ps kin=1.50 pot=20.24 Rg=6.390 SPS=1395
bl=1161 pos[1]=[1.2 0.4 -2.3] dr=1.33 t=13610.0ps kin=1.48 pot=20.25 Rg=6.431 SPS=1198
bl=1162 pos[1]=[2.3 1.4 -5.1] dr=1.38 t=13620.0ps kin=1.47 pot=20.27 Rg=6.454 SPS=1304
bl=1163 pos[1]=[1.6 3.8 -6.3] dr=1.38 t=13630.0ps kin=1.53 pot=20.27 Rg=6.458 SPS=1359
bl=1164 pos[1]=[-0.3 3.7 -4.5] dr=1.37 t=13640.0ps kin=1.51 pot=20.27 Rg=6.489 SPS=1402
bl=1165 pos[1]=[0.7 3.3 -2.9] dr=1.37 t=13650.0ps kin=1.45 pot=20.26 Rg=6.457 SPS=1395
bl=1166 pos[1]=[3.6 4.9 -4.1] dr=1.34 t=13660.0ps kin=1.47 pot=20.20 Rg=6.426 SPS=1397
bl=1167 pos[1]=[3.5 3.2 -4.0] dr=1.36 t=13670.0ps kin=1.50 pot=20.20 Rg=6.441 SPS=1306
bl=1168 pos[1]=[3.9 2.5 -1.1] dr=1.35 t=13680.0ps kin=1.51 pot=20.23 Rg=6.449 SPS=1389
bl=1169 pos[1]=[-0.1 1.3 0.7] dr=1.34 t=13690.0ps kin=1.45 pot=20.23 Rg=6.401 SPS=1388
bl=1170 pos[1]=[-2.0 0.7 -0.1] dr=1.34 t=13700.0ps kin=1.47 pot=20.28 Rg=6.368 SPS=1391
bl=1171 pos[1]=[-2.0 -0.2 0.1] dr=1.32 t=13710.0ps kin=1.56 pot=20.30 Rg=6.372 SPS=1386
bl=1172 pos[1]=[-0.1 1.2 0.7] dr=1.38 t=13720.0ps kin=1.54 pot=20.27 Rg=6.458 SPS=1384
bl=1173 pos[1]=[-1.9 2.1 -1.9] dr=1.32 t=13730.0ps kin=1.51 pot=20.25 Rg=6.458 SPS=1411
bl=1174 pos[1]=[-1.1 1.8 -1.5] dr=1.33 t=13740.0ps kin=1.51 pot=20.23 Rg=6.452 SPS=1075
bl=1175 pos[1]=[-1.5 1.5 -2.0] dr=1.38 t=13750.0ps kin=1.49 pot=20.25 Rg=6.454 SPS=892
bl=1176 pos[1]=[-3.7 3.9 -1.4] dr=1.40 t=13760.0ps kin=1.49 pot=20.30 Rg=6.559 SPS=965
bl=1177 pos[1]=[-2.2 2.7 -3.0] dr=1.35 t=13770.0ps kin=1.52 pot=20.30 Rg=6.474 SPS=819
bl=1178 pos[1]=[-1.4 4.5 -4.2] dr=1.31 t=13780.0ps kin=1.55 pot=20.28 Rg=6.469 SPS=1373
bl=1179 pos[1]=[-2.8 4.7 -4.8] dr=1.31 t=13790.0ps kin=1.48 pot=20.26 Rg=6.406 SPS=1242
bl=1180 pos[1]=[-2.4 2.1 -4.6] dr=1.29 t=13800.0ps kin=1.50 pot=20.20 Rg=6.380 SPS=1247
bl=1181 pos[1]=[-2.4 4.7 -3.3] dr=1.34 t=13810.0ps kin=1.50 pot=20.25 Rg=6.462 SPS=905
bl=1182 pos[1]=[-3.6 5.6 -4.6] dr=1.35 t=13820.0ps kin=1.54 pot=20.26 Rg=6.538 SPS=777
bl=1183 pos[1]=[-5.4 4.9 -3.4] dr=1.36 t=13830.0ps kin=1.48 pot=20.27 Rg=6.557 SPS=779
bl=1184 pos[1]=[-3.2 5.4 -5.3] dr=1.41 t=13840.0ps kin=1.47 pot=20.28 Rg=6.590 SPS=838
bl=1185 pos[1]=[-2.1 6.3 -7.3] dr=1.34 t=13850.0ps kin=1.54 pot=20.29 Rg=6.541 SPS=1135
bl=1186 pos[1]=[-1.6 4.4 -7.4] dr=1.43 t=13860.0ps kin=1.52 pot=20.27 Rg=6.526 SPS=1393
bl=1187 pos[1]=[-3.0 3.1 -8.8] dr=1.34 t=13870.0ps kin=1.47 pot=20.31 Rg=6.494 SPS=1397
bl=1188 pos[1]=[-3.2 4.0 -8.4] dr=1.33 t=13880.0ps kin=1.46 pot=20.29 Rg=6.455 SPS=1411
bl=1189 pos[1]=[-2.4 4.5 -8.1] dr=1.25 t=13890.0ps kin=1.50 pot=20.23 Rg=6.417 SPS=1411
bl=1190 pos[1]=[-1.1 4.8 -7.7] dr=1.31 t=13900.0ps kin=1.48 pot=20.36 Rg=6.436 SPS=1390
bl=1191 pos[1]=[-1.6 5.1 -6.5] dr=1.41 t=13910.0ps kin=1.53 pot=20.28 Rg=6.501 SPS=1376
bl=1192 pos[1]=[-1.9 7.3 -4.1] dr=1.37 t=13920.0ps kin=1.50 pot=20.25 Rg=6.476 SPS=1393
bl=1193 pos[1]=[-3.9 6.4 -4.1] dr=1.35 t=13930.0ps kin=1.47 pot=20.27 Rg=6.527 SPS=1391
bl=1194 pos[1]=[-4.9 5.4 -4.7] dr=1.33 t=13940.0ps kin=1.53 pot=20.21 Rg=6.448 SPS=1092
bl=1195 pos[1]=[-5.2 4.7 -4.5] dr=1.36 t=13950.0ps kin=1.50 pot=20.25 Rg=6.582 SPS=1383
bl=1196 pos[1]=[-5.1 4.1 -3.4] dr=1.32 t=13960.0ps kin=1.51 pot=20.20 Rg=6.496 SPS=1416
bl=1197 pos[1]=[-3.4 3.8 -3.4] dr=1.36 t=13970.0ps kin=1.45 pot=20.29 Rg=6.587 SPS=1390
bl=1198 pos[1]=[-4.4 3.3 -4.8] dr=1.35 t=13980.0ps kin=1.52 pot=20.28 Rg=6.532 SPS=1393
bl=1199 pos[1]=[-1.6 2.7 -4.1] dr=1.36 t=13990.0ps kin=1.52 pot=20.24 Rg=6.546 SPS=1369
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-5.01480661 -2.65097653 -6.43424142] Rg = 6.5463758
median bond size is 0.96412293823388
three shortest/longest (<10)/ bonds are [0.88455345 0.8891655 0.88957759] [1.06505855 1.0735935 1.08607426]
95 percentile of distance to center is: 9.371815955449353
density of closest 95% monomers is: 0.3736142494464514
density of the core monomers is: 0.7332850182755316
min/median/mean/max coordinates are:
x: -15.73, -4.94, -5.01, 4.40
y: -12.22, -2.67, -2.65, 5.32
z: -16.89, -6.34, -6.43, 4.16
Statistics for velocities:
mean kinetic energy is: 1.5201484270444452 should be: 1.5
fastest particles are (in kT): [7.30090552 7.78258531 7.99238987 8.18018588 8.35946501]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.241732346976402
bl=1200 pos[1]=[-1.7 1.7 -0.4] dr=1.32 t=14000.0ps kin=1.49 pot=20.31 Rg=6.564 SPS=1237
bl=1201 pos[1]=[-2.3 3.2 -0.6] dr=1.40 t=14010.0ps kin=1.51 pot=20.31 Rg=6.637 SPS=1400
bl=1202 pos[1]=[-1.4 3.6 -1.5] dr=1.39 t=14020.0ps kin=1.51 pot=20.27 Rg=6.588 SPS=1225
bl=1203 pos[1]=[-1.6 4.0 -1.7] dr=1.38 t=14030.0ps kin=1.53 pot=20.30 Rg=6.577 SPS=1250
bl=1204 pos[1]=[-1.3 1.4 -0.7] dr=1.31 t=14040.0ps kin=1.49 pot=20.21 Rg=6.619 SPS=1218
bl=1205 pos[1]=[-4.2 -0.1 -0.2] dr=1.31 t=14050.0ps kin=1.46 pot=20.28 Rg=6.495 SPS=1180
bl=1206 pos[1]=[-2.5 -0.6 -0.1] dr=1.31 t=14060.0ps kin=1.52 pot=20.30 Rg=6.460 SPS=1397
bl=1207 pos[1]=[-3.6 -0.3 -0.6] dr=1.32 t=14070.0ps kin=1.51 pot=20.33 Rg=6.509 SPS=1217
bl=1208 pos[1]=[-4.4 0.4 0.3] dr=1.40 t=14080.0ps kin=1.56 pot=20.31 Rg=6.484 SPS=1200
bl=1209 pos[1]=[-4.3 -0.2 0.8] dr=1.41 t=14090.0ps kin=1.54 pot=20.26 Rg=6.481 SPS=1140
bl=1210 pos[1]=[-3.8 1.7 3.6] dr=1.32 t=14100.0ps kin=1.49 pot=20.28 Rg=6.444 SPS=1373
bl=1211 pos[1]=[-2.3 2.6 2.1] dr=1.33 t=14110.0ps kin=1.51 pot=20.33 Rg=6.499 SPS=1157
bl=1212 pos[1]=[-1.6 1.6 -0.0] dr=1.35 t=14120.0ps kin=1.49 pot=20.33 Rg=6.474 SPS=1148
bl=1213 pos[1]=[-2.7 3.9 -1.3] dr=1.38 t=14130.0ps kin=1.54 pot=20.24 Rg=6.440 SPS=1305
bl=1214 pos[1]=[-5.7 4.4 -1.0] dr=1.39 t=14140.0ps kin=1.50 pot=20.33 Rg=6.464 SPS=931
bl=1215 pos[1]=[-5.2 4.8 -3.1] dr=1.37 t=14150.0ps kin=1.50 pot=20.29 Rg=6.442 SPS=1031
bl=1216 pos[1]=[-5.5 3.0 -2.0] dr=1.37 t=14160.0ps kin=1.55 pot=20.22 Rg=6.452 SPS=859
bl=1217 pos[1]=[-4.5 3.1 -3.3] dr=1.35 t=14170.0ps kin=1.52 pot=20.25 Rg=6.437 SPS=1300
bl=1218 pos[1]=[-5.0 2.5 -3.3] dr=1.39 t=14180.0ps kin=1.48 pot=20.27 Rg=6.472 SPS=1365
bl=1219 pos[1]=[-4.3 2.0 -3.5] dr=1.36 t=14190.0ps kin=1.41 pot=20.24 Rg=6.479 SPS=1402
bl=1220 pos[1]=[-4.4 2.6 -3.0] dr=1.39 t=14200.0ps kin=1.49 pot=20.23 Rg=6.558 SPS=1420
bl=1221 pos[1]=[-4.3 2.6 -2.8] dr=1.35 t=14210.0ps kin=1.50 pot=20.27 Rg=6.500 SPS=1397
bl=1222 pos[1]=[-4.8 4.6 -2.4] dr=1.29 t=14220.0ps kin=1.48 pot=20.21 Rg=6.490 SPS=1414
bl=1223 pos[1]=[-4.0 3.2 -3.3] dr=1.31 t=14230.0ps kin=1.46 pot=20.19 Rg=6.469 SPS=1384
bl=1224 pos[1]=[-3.9 2.6 -3.2] dr=1.32 t=14240.0ps kin=1.50 pot=20.21 Rg=6.485 SPS=1222
bl=1225 pos[1]=[-4.2 2.7 -3.0] dr=1.31 t=14250.0ps kin=1.55 pot=20.21 Rg=6.451 SPS=1418
bl=1226 pos[1]=[-4.9 1.4 -3.1] dr=1.38 t=14260.0ps kin=1.53 pot=20.27 Rg=6.465 SPS=1393
bl=1227 pos[1]=[-4.2 2.0 -1.6] dr=1.40 t=14270.0ps kin=1.52 pot=20.32 Rg=6.516 SPS=1059
bl=1228 pos[1]=[-5.4 2.7 -2.2] dr=1.35 t=14280.0ps kin=1.52 pot=20.32 Rg=6.493 SPS=1408
bl=1229 pos[1]=[-4.8 2.4 -2.9] dr=1.38 t=14290.0ps kin=1.57 pot=20.26 Rg=6.534 SPS=802
bl=1230 pos[1]=[-4.2 2.8 -2.4] dr=1.34 t=14300.0ps kin=1.54 pot=20.25 Rg=6.560 SPS=1100
bl=1231 pos[1]=[-3.4 3.2 -2.9] dr=1.42 t=14310.0ps kin=1.54 pot=20.20 Rg=6.495 SPS=1084
bl=1232 pos[1]=[-3.0 1.7 -2.4] dr=1.34 t=14320.0ps kin=1.46 pot=20.29 Rg=6.488 SPS=1400
bl=1233 pos[1]=[-2.1 2.0 -3.0] dr=1.41 t=14330.0ps kin=1.53 pot=20.23 Rg=6.449 SPS=1393
bl=1234 pos[1]=[-0.4 2.3 -3.9] dr=1.39 t=14340.0ps kin=1.55 pot=20.17 Rg=6.421 SPS=1359
bl=1235 pos[1]=[-0.0 2.3 -2.9] dr=1.33 t=14350.0ps kin=1.48 pot=20.22 Rg=6.455 SPS=1404
bl=1236 pos[1]=[0.3 1.5 -2.9] dr=1.30 t=14360.0ps kin=1.45 pot=20.19 Rg=6.405 SPS=1275
bl=1237 pos[1]=[-0.0 0.4 -1.8] dr=1.43 t=14370.0ps kin=1.50 pot=20.20 Rg=6.393 SPS=1379
bl=1238 pos[1]=[1.7 -1.6 -2.6] dr=1.35 t=14380.0ps kin=1.47 pot=20.23 Rg=6.414 SPS=1340
bl=1239 pos[1]=[1.5 -0.9 -3.4] dr=1.30 t=14390.0ps kin=1.48 pot=20.21 Rg=6.380 SPS=1361
bl=1240 pos[1]=[1.2 0.4 -2.3] dr=1.31 t=14400.0ps kin=1.44 pot=20.26 Rg=6.397 SPS=1403
bl=1241 pos[1]=[0.6 0.1 1.0] dr=1.36 t=14410.0ps kin=1.52 pot=20.24 Rg=6.530 SPS=961
bl=1242 pos[1]=[0.1 -1.0 0.4] dr=1.32 t=14420.0ps kin=1.46 pot=20.31 Rg=6.580 SPS=1005
bl=1243 pos[1]=[-0.0 -1.9 0.7] dr=1.38 t=14430.0ps kin=1.54 pot=20.29 Rg=6.471 SPS=967
bl=1244 pos[1]=[-0.5 -1.1 0.4] dr=1.40 t=14440.0ps kin=1.59 pot=20.18 Rg=6.422 SPS=1096
bl=1245 pos[1]=[-3.9 -2.2 -0.8] dr=1.34 t=14450.0ps kin=1.49 pot=20.25 Rg=6.492 SPS=1374
bl=1246 pos[1]=[-3.2 -1.7 -1.0] dr=1.30 t=14460.0ps kin=1.46 pot=20.22 Rg=6.531 SPS=1367
bl=1247 pos[1]=[-1.3 -2.5 -0.1] dr=1.34 t=14470.0ps kin=1.45 pot=20.23 Rg=6.487 SPS=1146
bl=1248 pos[1]=[-2.2 0.2 -0.3] dr=1.35 t=14480.0ps kin=1.50 pot=20.20 Rg=6.434 SPS=1407
bl=1249 pos[1]=[-3.1 -0.2 -0.2] dr=1.38 t=14490.0ps kin=1.49 pot=20.23 Rg=6.518 SPS=1392
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-5.98505813 -0.89388927 -4.23613242] Rg = 6.518149
median bond size is 0.9669474583605727
three shortest/longest (<10)/ bonds are [0.87929039 0.88546265 0.88950842] [1.07436668 1.08081361 1.10469925]
95 percentile of distance to center is: 9.172218000770584
density of closest 95% monomers is: 0.3985396918605719
density of the core monomers is: 0.64888628926509
min/median/mean/max coordinates are:
x: -15.09, -6.09, -5.99, 4.31
y: -10.20, -0.76, -0.89, 8.30
z: -13.03, -4.37, -4.24, 5.52
Statistics for velocities:
mean kinetic energy is: 1.495079962229833 should be: 1.5
fastest particles are (in kT): [6.67060247 6.80733682 7.53267874 7.5632424 8.56338297]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.229734167588497
bl=1250 pos[1]=[-3.9 -0.8 -0.9] dr=1.39 t=14500.0ps kin=1.55 pot=20.20 Rg=6.410 SPS=1394
bl=1251 pos[1]=[-1.7 -0.6 1.2] dr=1.30 t=14510.0ps kin=1.48 pot=20.18 Rg=6.479 SPS=1411
bl=1252 pos[1]=[0.3 -1.5 1.6] dr=1.31 t=14520.0ps kin=1.45 pot=20.22 Rg=6.484 SPS=1403
bl=1253 pos[1]=[-1.3 -3.7 1.1] dr=1.38 t=14530.0ps kin=1.47 pot=20.25 Rg=6.507 SPS=1204
bl=1254 pos[1]=[-1.4 -4.6 2.3] dr=1.34 t=14540.0ps kin=1.55 pot=20.29 Rg=6.540 SPS=1387
bl=1255 pos[1]=[-2.4 -3.6 3.1] dr=1.37 t=14550.0ps kin=1.49 pot=20.28 Rg=6.549 SPS=854
bl=1256 pos[1]=[-4.1 -6.3 2.9] dr=1.42 t=14560.0ps kin=1.52 pot=20.21 Rg=6.432 SPS=957
bl=1257 pos[1]=[-3.1 -7.9 0.8] dr=1.35 t=14570.0ps kin=1.46 pot=20.26 Rg=6.562 SPS=739
bl=1258 pos[1]=[-3.3 -7.5 -0.6] dr=1.30 t=14580.0ps kin=1.45 pot=20.26 Rg=6.495 SPS=1095
bl=1259 pos[1]=[-4.2 -7.0 -1.6] dr=1.30 t=14590.0ps kin=1.47 pot=20.24 Rg=6.453 SPS=703
bl=1260 pos[1]=[-3.5 -6.8 -1.4] dr=1.39 t=14600.0ps kin=1.51 pot=20.31 Rg=6.562 SPS=1209
bl=1261 pos[1]=[-1.0 -4.4 -1.9] dr=1.41 t=14610.0ps kin=1.49 pot=20.27 Rg=6.462 SPS=798
bl=1262 pos[1]=[-2.6 -4.7 -1.2] dr=1.37 t=14620.0ps kin=1.50 pot=20.25 Rg=6.477 SPS=1157
bl=1263 pos[1]=[-2.4 -4.4 -2.9] dr=1.35 t=14630.0ps kin=1.49 pot=20.24 Rg=6.398 SPS=1381
bl=1264 pos[1]=[-3.7 -1.8 -2.7] dr=1.38 t=14640.0ps kin=1.50 pot=20.23 Rg=6.444 SPS=1165
bl=1265 pos[1]=[-2.0 -4.7 -2.7] dr=1.37 t=14650.0ps kin=1.54 pot=20.20 Rg=6.487 SPS=1020
bl=1266 pos[1]=[-2.5 -5.7 -2.7] dr=1.45 t=14660.0ps kin=1.50 pot=20.28 Rg=6.483 SPS=756
bl=1267 pos[1]=[-2.4 -4.8 0.4] dr=1.34 t=14670.0ps kin=1.46 pot=20.26 Rg=6.463 SPS=797
bl=1268 pos[1]=[-1.0 -4.3 -0.5] dr=1.37 t=14680.0ps kin=1.54 pot=20.26 Rg=6.478 SPS=799
bl=1269 pos[1]=[-1.3 -2.7 -0.4] dr=1.36 t=14690.0ps kin=1.52 pot=20.28 Rg=6.449 SPS=1126
bl=1270 pos[1]=[-1.6 -3.7 0.7] dr=1.35 t=14700.0ps kin=1.45 pot=20.28 Rg=6.502 SPS=740
bl=1271 pos[1]=[-0.6 -3.0 1.8] dr=1.41 t=14710.0ps kin=1.43 pot=20.33 Rg=6.480 SPS=825
bl=1272 pos[1]=[-0.6 -2.5 1.7] dr=1.37 t=14720.0ps kin=1.54 pot=20.29 Rg=6.516 SPS=1376
bl=1273 pos[1]=[-0.2 -4.7 1.0] dr=1.35 t=14730.0ps kin=1.50 pot=20.29 Rg=6.471 SPS=981
bl=1274 pos[1]=[-2.6 -3.9 1.7] dr=1.38 t=14740.0ps kin=1.49 pot=20.28 Rg=6.477 SPS=1073
bl=1275 pos[1]=[-2.5 -4.3 0.8] dr=1.34 t=14750.0ps kin=1.47 pot=20.23 Rg=6.457 SPS=888
bl=1276 pos[1]=[-3.4 -5.7 2.4] dr=1.38 t=14760.0ps kin=1.44 pot=20.25 Rg=6.501 SPS=754
bl=1277 pos[1]=[-2.9 -6.3 1.2] dr=1.35 t=14770.0ps kin=1.48 pot=20.26 Rg=6.462 SPS=1046
bl=1278 pos[1]=[-2.6 -4.3 0.8] dr=1.39 t=14780.0ps kin=1.48 pot=20.21 Rg=6.366 SPS=1188
bl=1279 pos[1]=[-1.8 -4.4 2.0] dr=1.32 t=14790.0ps kin=1.51 pot=20.23 Rg=6.383 SPS=1361
bl=1280 pos[1]=[-0.3 -2.5 2.1] dr=1.35 t=14800.0ps kin=1.47 pot=20.26 Rg=6.429 SPS=885
bl=1281 pos[1]=[2.6 -1.6 2.2] dr=1.31 t=14810.0ps kin=1.53 pot=20.20 Rg=6.426 SPS=1007
bl=1282 pos[1]=[0.6 -1.6 2.2] dr=1.33 t=14820.0ps kin=1.50 pot=20.19 Rg=6.407 SPS=890
bl=1283 pos[1]=[-0.2 -2.2 1.3] dr=1.35 t=14830.0ps kin=1.49 pot=20.22 Rg=6.450 SPS=1022
bl=1284 pos[1]=[0.0 -2.6 3.0] dr=1.39 t=14840.0ps kin=1.49 pot=20.23 Rg=6.477 SPS=1157
bl=1285 pos[1]=[0.4 -2.1 3.1] dr=1.26 t=14850.0ps kin=1.50 pot=20.25 Rg=6.509 SPS=1161
bl=1286 pos[1]=[-0.2 -2.5 2.7] dr=1.29 t=14860.0ps kin=1.48 pot=20.29 Rg=6.510 SPS=1208
bl=1287 pos[1]=[1.3 -4.8 3.1] dr=1.37 t=14870.0ps kin=1.54 pot=20.25 Rg=6.504 SPS=1166
bl=1288 pos[1]=[1.3 -3.4 2.3] dr=1.37 t=14880.0ps kin=1.52 pot=20.26 Rg=6.523 SPS=1357
bl=1289 pos[1]=[-2.3 -2.4 3.8] dr=1.39 t=14890.0ps kin=1.52 pot=20.21 Rg=6.489 SPS=1374
bl=1290 pos[1]=[-2.8 -3.2 3.9] dr=1.34 t=14900.0ps kin=1.46 pot=20.27 Rg=6.535 SPS=1100
bl=1291 pos[1]=[-2.3 -3.3 4.5] dr=1.33 t=14910.0ps kin=1.54 pot=20.26 Rg=6.525 SPS=835
bl=1292 pos[1]=[-1.1 -4.1 4.6] dr=1.40 t=14920.0ps kin=1.54 pot=20.29 Rg=6.456 SPS=768
bl=1293 pos[1]=[-2.3 -5.6 4.0] dr=1.32 t=14930.0ps kin=1.54 pot=20.25 Rg=6.377 SPS=682
bl=1294 pos[1]=[-1.8 -5.2 3.9] dr=1.25 t=14940.0ps kin=1.52 pot=20.23 Rg=6.448 SPS=1086
bl=1295 pos[1]=[-4.0 -4.8 3.3] dr=1.32 t=14950.0ps kin=1.46 pot=20.29 Rg=6.535 SPS=1042
bl=1296 pos[1]=[-4.8 -5.3 3.7] dr=1.35 t=14960.0ps kin=1.53 pot=20.24 Rg=6.479 SPS=1194
bl=1297 pos[1]=[-7.9 -7.1 1.5] dr=1.31 t=14970.0ps kin=1.50 pot=20.19 Rg=6.382 SPS=820
bl=1298 pos[1]=[-8.5 -8.8 0.5] dr=1.31 t=14980.0ps kin=1.52 pot=20.25 Rg=6.425 SPS=1272
bl=1299 pos[1]=[-6.5 -9.0 1.1] dr=1.26 t=14990.0ps kin=1.50 pot=20.28 Rg=6.406 SPS=1186
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-7.1686196 0.05174165 -3.49727433] Rg = 6.405948
median bond size is 0.9654316500748821
three shortest/longest (<10)/ bonds are [0.88074496 0.88083932 0.88489613] [1.06644124 1.07264336 1.07375005]
95 percentile of distance to center is: 8.858543824651324
density of closest 95% monomers is: 0.4423924141826291
density of the core monomers is: 0.7034136615884151
min/median/mean/max coordinates are:
x: -15.97, -7.10, -7.17, 1.76
y: -10.48, 0.02, 0.05, 10.47
z: -10.84, -3.68, -3.50, 5.40
Statistics for velocities:
mean kinetic energy is: 1.5055594885151784 should be: 1.5
fastest particles are (in kT): [5.96364272 6.21427776 6.39994571 6.94628651 8.73803059]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.28421569644174
bl=1300 pos[1]=[-3.5 -13.3 0.7] dr=1.37 t=15000.0ps kin=1.48 pot=20.30 Rg=6.548 SPS=732
bl=1301 pos[1]=[-2.4 -13.6 0.8] dr=1.35 t=15010.0ps kin=1.46 pot=20.27 Rg=6.483 SPS=1236
bl=1302 pos[1]=[-2.6 -12.6 2.7] dr=1.42 t=15020.0ps kin=1.47 pot=20.30 Rg=6.483 SPS=1049
bl=1303 pos[1]=[-3.2 -11.2 2.6] dr=1.34 t=15030.0ps kin=1.43 pot=20.32 Rg=6.540 SPS=1068
bl=1304 pos[1]=[-0.7 -9.7 3.3] dr=1.35 t=15040.0ps kin=1.52 pot=20.30 Rg=6.525 SPS=1349
bl=1305 pos[1]=[-0.2 -9.9 2.9] dr=1.38 t=15050.0ps kin=1.48 pot=20.33 Rg=6.576 SPS=1079
bl=1306 pos[1]=[0.9 -12.5 1.2] dr=1.41 t=15060.0ps kin=1.50 pot=20.32 Rg=6.592 SPS=1282
bl=1307 pos[1]=[0.6 -10.0 -1.4] dr=1.40 t=15070.0ps kin=1.50 pot=20.27 Rg=6.531 SPS=854
bl=1308 pos[1]=[2.8 -10.4 -0.1] dr=1.37 t=15080.0ps kin=1.51 pot=20.31 Rg=6.527 SPS=1184
bl=1309 pos[1]=[-1.1 -11.0 0.3] dr=1.43 t=15090.0ps kin=1.52 pot=20.31 Rg=6.497 SPS=1405
bl=1310 pos[1]=[-3.6 -11.3 -0.5] dr=1.34 t=15100.0ps kin=1.52 pot=20.29 Rg=6.553 SPS=1305
bl=1311 pos[1]=[-4.8 -10.5 1.2] dr=1.28 t=15110.0ps kin=1.47 pot=20.24 Rg=6.565 SPS=796
bl=1312 pos[1]=[-4.4 -8.5 0.3] dr=1.34 t=15120.0ps kin=1.50 pot=20.31 Rg=6.651 SPS=996
bl=1313 pos[1]=[-5.0 -7.3 -1.7] dr=1.39 t=15130.0ps kin=1.54 pot=20.23 Rg=6.583 SPS=720
bl=1314 pos[1]=[-5.0 -7.9 0.8] dr=1.37 t=15140.0ps kin=1.45 pot=20.25 Rg=6.543 SPS=1333
bl=1315 pos[1]=[-6.7 -6.1 1.1] dr=1.37 t=15150.0ps kin=1.47 pot=20.30 Rg=6.528 SPS=1082
bl=1316 pos[1]=[-5.9 -5.4 3.0] dr=1.38 t=15160.0ps kin=1.50 pot=20.22 Rg=6.433 SPS=1132
bl=1317 pos[1]=[-5.8 -7.6 3.2] dr=1.34 t=15170.0ps kin=1.49 pot=20.26 Rg=6.516 SPS=743
bl=1318 pos[1]=[-7.2 -7.7 2.0] dr=1.35 t=15180.0ps kin=1.45 pot=20.24 Rg=6.478 SPS=1106
bl=1319 pos[1]=[-8.8 -4.5 2.0] dr=1.34 t=15190.0ps kin=1.51 pot=20.20 Rg=6.477 SPS=1337
bl=1320 pos[1]=[-8.4 -3.3 2.3] dr=1.37 t=15200.0ps kin=1.55 pot=20.19 Rg=6.434 SPS=1034
bl=1321 pos[1]=[-8.1 -4.7 1.7] dr=1.34 t=15210.0ps kin=1.55 pot=20.28 Rg=6.499 SPS=714
bl=1322 pos[1]=[-8.3 -6.5 1.9] dr=1.41 t=15220.0ps kin=1.51 pot=20.28 Rg=6.502 SPS=1144
bl=1323 pos[1]=[-7.4 -5.1 0.3] dr=1.34 t=15230.0ps kin=1.46 pot=20.25 Rg=6.495 SPS=1379
bl=1324 pos[1]=[-7.9 -4.7 0.7] dr=1.36 t=15240.0ps kin=1.56 pot=20.22 Rg=6.434 SPS=1077
bl=1325 pos[1]=[-6.1 -5.9 0.1] dr=1.32 t=15250.0ps kin=1.50 pot=20.24 Rg=6.420 SPS=1338
bl=1326 pos[1]=[-6.5 -5.1 -0.2] dr=1.32 t=15260.0ps kin=1.54 pot=20.29 Rg=6.431 SPS=1346
bl=1327 pos[1]=[-7.1 -5.7 1.4] dr=1.38 t=15270.0ps kin=1.55 pot=20.27 Rg=6.528 SPS=1394
bl=1328 pos[1]=[-5.2 -4.2 0.1] dr=1.35 t=15280.0ps kin=1.53 pot=20.27 Rg=6.493 SPS=1161
bl=1329 pos[1]=[-5.3 -4.0 1.2] dr=1.33 t=15290.0ps kin=1.46 pot=20.28 Rg=6.504 SPS=1177
bl=1330 pos[1]=[-6.7 -6.0 -0.0] dr=1.35 t=15300.0ps kin=1.46 pot=20.26 Rg=6.533 SPS=755
bl=1331 pos[1]=[-3.7 -6.7 -0.6] dr=1.35 t=15310.0ps kin=1.49 pot=20.28 Rg=6.420 SPS=969
bl=1332 pos[1]=[-3.2 -6.1 -1.8] dr=1.32 t=15320.0ps kin=1.50 pot=20.30 Rg=6.431 SPS=1043
bl=1333 pos[1]=[-5.6 -7.2 1.7] dr=1.36 t=15330.0ps kin=1.52 pot=20.25 Rg=6.392 SPS=762
bl=1334 pos[1]=[-7.2 -5.5 1.2] dr=1.34 t=15340.0ps kin=1.53 pot=20.21 Rg=6.359 SPS=1410
bl=1335 pos[1]=[-6.4 -5.7 -0.0] dr=1.31 t=15350.0ps kin=1.45 pot=20.26 Rg=6.481 SPS=1322
bl=1336 pos[1]=[-6.0 -4.7 -0.2] dr=1.33 t=15360.0ps kin=1.51 pot=20.24 Rg=6.446 SPS=1240
bl=1337 pos[1]=[-7.3 -5.1 -0.4] dr=1.31 t=15370.0ps kin=1.51 pot=20.25 Rg=6.469 SPS=947
bl=1338 pos[1]=[-6.1 -6.8 1.3] dr=1.30 t=15380.0ps kin=1.58 pot=20.24 Rg=6.517 SPS=954
bl=1339 pos[1]=[-6.7 -5.7 -0.2] dr=1.36 t=15390.0ps kin=1.51 pot=20.26 Rg=6.490 SPS=769
bl=1340 pos[1]=[-4.9 -6.8 -1.3] dr=1.36 t=15400.0ps kin=1.47 pot=20.26 Rg=6.521 SPS=1237
bl=1341 pos[1]=[-3.5 -5.9 -1.3] dr=1.33 t=15410.0ps kin=1.48 pot=20.27 Rg=6.580 SPS=1042
bl=1342 pos[1]=[-1.9 -3.7 -4.1] dr=1.38 t=15420.0ps kin=1.51 pot=20.22 Rg=6.477 SPS=1089
bl=1343 pos[1]=[0.9 -4.5 -4.7] dr=1.34 t=15430.0ps kin=1.48 pot=20.25 Rg=6.461 SPS=1164
bl=1344 pos[1]=[2.0 -3.3 -6.3] dr=1.31 t=15440.0ps kin=1.48 pot=20.26 Rg=6.560 SPS=916
bl=1345 pos[1]=[1.1 -1.5 -3.2] dr=1.35 t=15450.0ps kin=1.44 pot=20.29 Rg=6.597 SPS=1152
bl=1346 pos[1]=[0.5 -3.0 -4.5] dr=1.37 t=15460.0ps kin=1.48 pot=20.32 Rg=6.515 SPS=1404
bl=1347 pos[1]=[-0.1 -5.0 -2.7] dr=1.33 t=15470.0ps kin=1.50 pot=20.25 Rg=6.550 SPS=1402
bl=1348 pos[1]=[-0.8 -6.0 -2.5] dr=1.34 t=15480.0ps kin=1.51 pot=20.22 Rg=6.606 SPS=1376
bl=1349 pos[1]=[-0.2 -6.5 -5.9] dr=1.34 t=15490.0ps kin=1.47 pot=20.27 Rg=6.634 SPS=1323
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-7.43253017 0.06929778 -3.2720607 ] Rg = 6.6337647
median bond size is 0.9633233145207278
three shortest/longest (<10)/ bonds are [0.87989136 0.88331739 0.88515484] [1.09132543 1.09538097 1.12979277]
95 percentile of distance to center is: 9.615484352390657
density of closest 95% monomers is: 0.34592439426216176
density of the core monomers is: 0.756091845565498
min/median/mean/max coordinates are:
x: -16.27, -7.88, -7.43, 4.59
y: -6.88, -0.15, 0.07, 10.05
z: -13.54, -3.07, -3.27, 5.51
Statistics for velocities:
mean kinetic energy is: 1.4771280119709096 should be: 1.5
fastest particles are (in kT): [6.7317239 6.78851263 6.83246414 6.8664343 8.5086014 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.266278922382007
bl=1350 pos[1]=[-3.2 -6.4 -6.3] dr=1.38 t=15500.0ps kin=1.46 pot=20.28 Rg=6.635 SPS=1401
bl=1351 pos[1]=[-4.9 -5.8 -4.1] dr=1.42 t=15510.0ps kin=1.57 pot=20.26 Rg=6.612 SPS=1407
bl=1352 pos[1]=[-5.1 -6.2 -3.6] dr=1.38 t=15520.0ps kin=1.47 pot=20.30 Rg=6.670 SPS=1400
bl=1353 pos[1]=[-5.6 -5.1 -4.0] dr=1.43 t=15530.0ps kin=1.56 pot=20.28 Rg=6.586 SPS=1393
bl=1354 pos[1]=[-5.8 -4.9 -4.1] dr=1.35 t=15540.0ps kin=1.47 pot=20.27 Rg=6.645 SPS=1399
bl=1355 pos[1]=[-4.1 -4.7 -2.5] dr=1.33 t=15550.0ps kin=1.51 pot=20.20 Rg=6.686 SPS=1398
bl=1356 pos[1]=[-3.6 -5.3 -3.0] dr=1.35 t=15560.0ps kin=1.53 pot=20.27 Rg=6.643 SPS=1380
bl=1357 pos[1]=[-3.8 -5.1 -2.2] dr=1.37 t=15570.0ps kin=1.51 pot=20.22 Rg=6.621 SPS=1409
bl=1358 pos[1]=[-4.8 -4.2 -3.7] dr=1.35 t=15580.0ps kin=1.47 pot=20.25 Rg=6.658 SPS=1406
bl=1359 pos[1]=[-4.5 -4.0 -4.5] dr=1.31 t=15590.0ps kin=1.47 pot=20.23 Rg=6.515 SPS=1371
bl=1360 pos[1]=[-4.2 -3.2 -4.9] dr=1.33 t=15600.0ps kin=1.48 pot=20.26 Rg=6.629 SPS=1293
bl=1361 pos[1]=[-4.1 -2.6 -2.9] dr=1.33 t=15610.0ps kin=1.58 pot=20.21 Rg=6.622 SPS=1411
bl=1362 pos[1]=[-4.6 -2.5 -4.0] dr=1.31 t=15620.0ps kin=1.55 pot=20.25 Rg=6.627 SPS=1186
bl=1363 pos[1]=[-4.6 -2.3 -3.9] dr=1.32 t=15630.0ps kin=1.53 pot=20.30 Rg=6.542 SPS=944
bl=1364 pos[1]=[-2.3 -5.5 -4.0] dr=1.28 t=15640.0ps kin=1.48 pot=20.25 Rg=6.504 SPS=790
bl=1365 pos[1]=[-5.1 -4.9 -1.5] dr=1.37 t=15650.0ps kin=1.49 pot=20.27 Rg=6.543 SPS=1238
bl=1366 pos[1]=[-4.2 -4.1 -0.5] dr=1.32 t=15660.0ps kin=1.56 pot=20.25 Rg=6.572 SPS=1297
bl=1367 pos[1]=[-4.0 -4.5 -1.6] dr=1.37 t=15670.0ps kin=1.49 pot=20.25 Rg=6.565 SPS=768
bl=1368 pos[1]=[-4.7 -5.3 -5.3] dr=1.35 t=15680.0ps kin=1.53 pot=20.29 Rg=6.483 SPS=1249
bl=1369 pos[1]=[-4.8 -3.8 -3.7] dr=1.37 t=15690.0ps kin=1.55 pot=20.28 Rg=6.552 SPS=1415
bl=1370 pos[1]=[-5.4 -3.4 -4.6] dr=1.37 t=15700.0ps kin=1.48 pot=20.28 Rg=6.606 SPS=1405
bl=1371 pos[1]=[-5.8 -4.5 -3.6] dr=1.37 t=15710.0ps kin=1.51 pot=20.31 Rg=6.589 SPS=1415
bl=1372 pos[1]=[-6.3 -4.3 -2.8] dr=1.34 t=15720.0ps kin=1.50 pot=20.28 Rg=6.614 SPS=1392
bl=1373 pos[1]=[-5.4 -4.4 -3.2] dr=1.32 t=15730.0ps kin=1.49 pot=20.31 Rg=6.597 SPS=1385
bl=1374 pos[1]=[-4.2 -4.5 -1.7] dr=1.36 t=15740.0ps kin=1.46 pot=20.30 Rg=6.616 SPS=988
bl=1375 pos[1]=[-5.7 -4.8 -4.0] dr=1.29 t=15750.0ps kin=1.48 pot=20.24 Rg=6.559 SPS=949
bl=1376 pos[1]=[-5.3 -4.9 -5.1] dr=1.35 t=15760.0ps kin=1.48 pot=20.18 Rg=6.489 SPS=941
bl=1377 pos[1]=[-5.5 -3.9 -5.5] dr=1.32 t=15770.0ps kin=1.48 pot=20.21 Rg=6.557 SPS=715
bl=1378 pos[1]=[-5.9 -4.6 -4.2] dr=1.36 t=15780.0ps kin=1.51 pot=20.21 Rg=6.445 SPS=1369
bl=1379 pos[1]=[-6.1 -5.8 -5.1] dr=1.38 t=15790.0ps kin=1.50 pot=20.24 Rg=6.520 SPS=1395
bl=1380 pos[1]=[-4.4 -5.3 -7.6] dr=1.34 t=15800.0ps kin=1.47 pot=20.20 Rg=6.535 SPS=1331
bl=1381 pos[1]=[-4.0 -6.5 -5.8] dr=1.36 t=15810.0ps kin=1.51 pot=20.25 Rg=6.542 SPS=1404
bl=1382 pos[1]=[-5.5 -6.4 -6.4] dr=1.34 t=15820.0ps kin=1.50 pot=20.29 Rg=6.601 SPS=1408
bl=1383 pos[1]=[-6.2 -7.6 -4.9] dr=1.38 t=15830.0ps kin=1.53 pot=20.27 Rg=6.600 SPS=1427
bl=1384 pos[1]=[-4.6 -8.1 -4.0] dr=1.38 t=15840.0ps kin=1.50 pot=20.26 Rg=6.664 SPS=1393
bl=1385 pos[1]=[-2.5 -7.3 -6.2] dr=1.40 t=15850.0ps kin=1.48 pot=20.34 Rg=6.605 SPS=1420
bl=1386 pos[1]=[-3.3 -7.6 -6.5] dr=1.28 t=15860.0ps kin=1.47 pot=20.28 Rg=6.622 SPS=1315
bl=1387 pos[1]=[-3.6 -6.8 -4.7] dr=1.31 t=15870.0ps kin=1.56 pot=20.35 Rg=6.681 SPS=1398
bl=1388 pos[1]=[-4.4 -7.0 -2.7] dr=1.35 t=15880.0ps kin=1.52 pot=20.32 Rg=6.685 SPS=1157
bl=1389 pos[1]=[-3.0 -5.6 -2.2] dr=1.36 t=15890.0ps kin=1.51 pot=20.22 Rg=6.648 SPS=1294
bl=1390 pos[1]=[-3.3 -6.4 -3.0] dr=1.29 t=15900.0ps kin=1.56 pot=20.19 Rg=6.560 SPS=1403
bl=1391 pos[1]=[-3.1 -6.3 -4.7] dr=1.34 t=15910.0ps kin=1.49 pot=20.16 Rg=6.627 SPS=1386
bl=1392 pos[1]=[-0.5 -7.8 -5.5] dr=1.40 t=15920.0ps kin=1.56 pot=20.21 Rg=6.544 SPS=1395
bl=1393 pos[1]=[0.2 -7.5 -2.9] dr=1.35 t=15930.0ps kin=1.54 pot=20.22 Rg=6.597 SPS=1375
bl=1394 pos[1]=[-0.7 -7.2 -1.9] dr=1.35 t=15940.0ps kin=1.55 pot=20.22 Rg=6.628 SPS=1399
bl=1395 pos[1]=[-0.8 -7.6 -2.8] dr=1.43 t=15950.0ps kin=1.51 pot=20.24 Rg=6.653 SPS=1395
bl=1396 pos[1]=[-0.6 -8.0 -2.3] dr=1.36 t=15960.0ps kin=1.51 pot=20.23 Rg=6.619 SPS=1377
bl=1397 pos[1]=[-1.1 -7.5 -4.8] dr=1.32 t=15970.0ps kin=1.48 pot=20.23 Rg=6.566 SPS=1380
bl=1398 pos[1]=[-2.3 -4.6 -4.6] dr=1.27 t=15980.0ps kin=1.52 pot=20.20 Rg=6.480 SPS=1345
bl=1399 pos[1]=[-2.6 -4.2 -4.0] dr=1.29 t=15990.0ps kin=1.49 pot=20.26 Rg=6.485 SPS=1319
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-7.13255774 -1.1434955 -3.52677971] Rg = 6.48459
median bond size is 0.9631636700318894
three shortest/longest (<10)/ bonds are [0.87382675 0.87447277 0.88034237] [1.10226966 1.10255121 1.10739819]
95 percentile of distance to center is: 9.062435860427755
density of closest 95% monomers is: 0.41319955766597677
density of the core monomers is: 0.7189627101704769
min/median/mean/max coordinates are:
x: -16.52, -7.16, -7.13, 2.97
y: -8.73, -1.22, -1.14, 7.92
z: -13.67, -3.39, -3.53, 3.85
Statistics for velocities:
mean kinetic energy is: 1.4958456929282065 should be: 1.5
fastest particles are (in kT): [7.51756353 7.73336436 7.98684528 8.71543538 9.81126669]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.263798626474927
bl=1400 pos[1]=[-1.3 -6.3 -4.8] dr=1.30 t=16000.0ps kin=1.45 pot=20.23 Rg=6.439 SPS=1348
bl=1401 pos[1]=[-0.9 -8.0 -4.2] dr=1.32 t=16010.0ps kin=1.48 pot=20.23 Rg=6.487 SPS=1318
bl=1402 pos[1]=[-2.6 -7.5 -3.9] dr=1.34 t=16020.0ps kin=1.49 pot=20.18 Rg=6.453 SPS=1346
bl=1403 pos[1]=[-2.3 -5.4 -4.8] dr=1.35 t=16030.0ps kin=1.50 pot=20.24 Rg=6.520 SPS=1378
bl=1404 pos[1]=[-2.5 -3.8 -4.9] dr=1.37 t=16040.0ps kin=1.51 pot=20.24 Rg=6.563 SPS=1390
bl=1405 pos[1]=[-2.0 -6.5 -4.0] dr=1.33 t=16050.0ps kin=1.61 pot=20.19 Rg=6.483 SPS=1381
bl=1406 pos[1]=[-2.8 -5.6 -2.7] dr=1.34 t=16060.0ps kin=1.52 pot=20.26 Rg=6.476 SPS=1401
bl=1407 pos[1]=[-3.8 -6.4 -3.4] dr=1.28 t=16070.0ps kin=1.49 pot=20.19 Rg=6.403 SPS=1153
bl=1408 pos[1]=[-3.6 -7.3 -5.9] dr=1.25 t=16080.0ps kin=1.57 pot=20.20 Rg=6.431 SPS=1276
bl=1409 pos[1]=[-2.6 -4.4 -8.2] dr=1.37 t=16090.0ps kin=1.47 pot=20.28 Rg=6.446 SPS=1195
bl=1410 pos[1]=[-2.4 -3.7 -7.7] dr=1.31 t=16100.0ps kin=1.49 pot=20.21 Rg=6.482 SPS=847
bl=1411 pos[1]=[-0.6 -5.2 -7.6] dr=1.37 t=16110.0ps kin=1.53 pot=20.24 Rg=6.411 SPS=1142
bl=1412 pos[1]=[-1.3 -6.0 -5.9] dr=1.36 t=16120.0ps kin=1.50 pot=20.23 Rg=6.479 SPS=1365
bl=1413 pos[1]=[-3.0 -6.5 -5.8] dr=1.36 t=16130.0ps kin=1.53 pot=20.29 Rg=6.468 SPS=1152
bl=1414 pos[1]=[-1.5 -6.3 -6.1] dr=1.32 t=16140.0ps kin=1.58 pot=20.24 Rg=6.526 SPS=1365
bl=1415 pos[1]=[-0.7 -6.3 -5.2] dr=1.37 t=16150.0ps kin=1.47 pot=20.25 Rg=6.514 SPS=1121
bl=1416 pos[1]=[-1.5 -5.3 -4.7] dr=1.37 t=16160.0ps kin=1.52 pot=20.26 Rg=6.520 SPS=1246
bl=1417 pos[1]=[-1.6 -6.7 -2.4] dr=1.38 t=16170.0ps kin=1.56 pot=20.23 Rg=6.480 SPS=1200
bl=1418 pos[1]=[-0.4 -7.3 -2.4] dr=1.36 t=16180.0ps kin=1.46 pot=20.27 Rg=6.516 SPS=845
bl=1419 pos[1]=[1.7 -7.4 -3.2] dr=1.34 t=16190.0ps kin=1.43 pot=20.31 Rg=6.507 SPS=1220
bl=1420 pos[1]=[0.9 -8.0 -5.4] dr=1.34 t=16200.0ps kin=1.49 pot=20.29 Rg=6.494 SPS=1380
bl=1421 pos[1]=[-0.0 -9.0 -5.0] dr=1.38 t=16210.0ps kin=1.49 pot=20.28 Rg=6.492 SPS=1153
bl=1422 pos[1]=[0.2 -9.3 -5.5] dr=1.34 t=16220.0ps kin=1.51 pot=20.32 Rg=6.490 SPS=1402
bl=1423 pos[1]=[0.4 -7.4 -3.8] dr=1.36 t=16230.0ps kin=1.50 pot=20.26 Rg=6.549 SPS=1375
bl=1424 pos[1]=[0.4 -6.8 -5.0] dr=1.35 t=16240.0ps kin=1.49 pot=20.25 Rg=6.453 SPS=1401
bl=1425 pos[1]=[0.6 -6.0 -5.7] dr=1.30 t=16250.0ps kin=1.47 pot=20.27 Rg=6.473 SPS=1392
bl=1426 pos[1]=[-0.2 -6.8 -6.0] dr=1.31 t=16260.0ps kin=1.49 pot=20.31 Rg=6.449 SPS=1398
bl=1427 pos[1]=[-0.7 -5.6 -5.7] dr=1.35 t=16270.0ps kin=1.48 pot=20.26 Rg=6.487 SPS=1275
bl=1428 pos[1]=[-0.2 -7.1 -5.4] dr=1.32 t=16280.0ps kin=1.51 pot=20.22 Rg=6.465 SPS=1269
bl=1429 pos[1]=[0.1 -8.8 -5.4] dr=1.29 t=16290.0ps kin=1.45 pot=20.20 Rg=6.479 SPS=919
bl=1430 pos[1]=[-1.0 -9.1 -4.5] dr=1.33 t=16300.0ps kin=1.46 pot=20.19 Rg=6.427 SPS=1241
bl=1431 pos[1]=[-4.2 -9.2 -5.4] dr=1.36 t=16310.0ps kin=1.46 pot=20.28 Rg=6.444 SPS=1121
bl=1432 pos[1]=[-5.0 -8.6 -4.5] dr=1.26 t=16320.0ps kin=1.44 pot=20.25 Rg=6.445 SPS=1362
bl=1433 pos[1]=[-5.8 -6.9 -4.4] dr=1.37 t=16330.0ps kin=1.52 pot=20.26 Rg=6.510 SPS=1287
bl=1434 pos[1]=[-5.1 -7.9 -3.8] dr=1.35 t=16340.0ps kin=1.48 pot=20.30 Rg=6.428 SPS=1198
bl=1435 pos[1]=[-5.1 -8.3 -3.6] dr=1.31 t=16350.0ps kin=1.44 pot=20.28 Rg=6.482 SPS=1134
bl=1436 pos[1]=[-5.3 -7.9 -3.2] dr=1.36 t=16360.0ps kin=1.46 pot=20.31 Rg=6.502 SPS=1250
bl=1437 pos[1]=[-4.8 -8.7 -2.9] dr=1.39 t=16370.0ps kin=1.47 pot=20.24 Rg=6.507 SPS=1252
bl=1438 pos[1]=[-6.2 -7.9 -3.3] dr=1.43 t=16380.0ps kin=1.45 pot=20.27 Rg=6.495 SPS=1401
bl=1439 pos[1]=[-3.4 -8.6 -4.0] dr=1.40 t=16390.0ps kin=1.45 pot=20.26 Rg=6.554 SPS=1402
bl=1440 pos[1]=[-4.0 -7.2 -3.7] dr=1.35 t=16400.0ps kin=1.54 pot=20.27 Rg=6.417 SPS=1181
bl=1441 pos[1]=[-3.9 -7.3 -3.8] dr=1.44 t=16410.0ps kin=1.48 pot=20.31 Rg=6.475 SPS=1278
bl=1442 pos[1]=[-2.5 -6.9 -2.0] dr=1.38 t=16420.0ps kin=1.49 pot=20.29 Rg=6.572 SPS=1415
bl=1443 pos[1]=[-1.4 -7.1 -3.3] dr=1.31 t=16430.0ps kin=1.52 pot=20.24 Rg=6.435 SPS=1027
bl=1444 pos[1]=[-1.9 -8.5 -2.3] dr=1.31 t=16440.0ps kin=1.59 pot=20.19 Rg=6.377 SPS=1203
bl=1445 pos[1]=[-1.9 -6.3 -1.4] dr=1.32 t=16450.0ps kin=1.49 pot=20.26 Rg=6.472 SPS=1267
bl=1446 pos[1]=[0.2 -4.3 0.4] dr=1.38 t=16460.0ps kin=1.50 pot=20.28 Rg=6.449 SPS=1389
bl=1447 pos[1]=[-1.1 -4.8 -2.9] dr=1.28 t=16470.0ps kin=1.51 pot=20.27 Rg=6.497 SPS=1420
bl=1448 pos[1]=[-0.7 -4.6 -3.0] dr=1.39 t=16480.0ps kin=1.47 pot=20.31 Rg=6.536 SPS=1382
bl=1449 pos[1]=[-0.5 -5.1 -2.5] dr=1.36 t=16490.0ps kin=1.50 pot=20.28 Rg=6.527 SPS=1390
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-7.34684371 -1.14082752 -5.22056778] Rg = 6.5273547
median bond size is 0.965592776054011
three shortest/longest (<10)/ bonds are [0.87767414 0.88028795 0.88103978] [1.08664503 1.09416952 1.11655197]
95 percentile of distance to center is: 9.15377707897261
density of closest 95% monomers is: 0.40095320547170454
density of the core monomers is: 0.6560599289732575
min/median/mean/max coordinates are:
x: -16.89, -7.34, -7.35, 2.31
y: -9.74, -1.27, -1.14, 7.10
z: -15.85, -5.26, -5.22, 3.74
Statistics for velocities:
mean kinetic energy is: 1.497381440373156 should be: 1.5
fastest particles are (in kT): [6.90431648 7.17930799 7.6707609 7.89184206 8.48630962]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.281794455199115
bl=1450 pos[1]=[-2.3 -4.6 -2.3] dr=1.41 t=16500.0ps kin=1.48 pot=20.29 Rg=6.463 SPS=1377
bl=1451 pos[1]=[-3.0 -3.6 -1.6] dr=1.38 t=16510.0ps kin=1.48 pot=20.26 Rg=6.542 SPS=1381
bl=1452 pos[1]=[-2.8 -2.9 -1.7] dr=1.34 t=16520.0ps kin=1.54 pot=20.23 Rg=6.522 SPS=1393
bl=1453 pos[1]=[-2.1 -5.3 -1.0] dr=1.33 t=16530.0ps kin=1.55 pot=20.27 Rg=6.465 SPS=1390
bl=1454 pos[1]=[-1.7 -5.3 -0.3] dr=1.33 t=16540.0ps kin=1.56 pot=20.24 Rg=6.493 SPS=1188
bl=1455 pos[1]=[-1.4 -4.0 -3.6] dr=1.42 t=16550.0ps kin=1.59 pot=20.20 Rg=6.476 SPS=1154
bl=1456 pos[1]=[-1.1 -3.8 -3.3] dr=1.38 t=16560.0ps kin=1.44 pot=20.23 Rg=6.490 SPS=1363
bl=1457 pos[1]=[-2.5 -3.3 -3.7] dr=1.31 t=16570.0ps kin=1.45 pot=20.22 Rg=6.523 SPS=1354
bl=1458 pos[1]=[1.6 -3.3 -1.0] dr=1.33 t=16580.0ps kin=1.48 pot=20.27 Rg=6.606 SPS=1366
bl=1459 pos[1]=[1.4 -2.9 -0.7] dr=1.32 t=16590.0ps kin=1.53 pot=20.25 Rg=6.548 SPS=1371
bl=1460 pos[1]=[3.6 -3.3 0.2] dr=1.27 t=16600.0ps kin=1.51 pot=20.33 Rg=6.559 SPS=1027
bl=1461 pos[1]=[-0.4 -2.8 0.7] dr=1.39 t=16610.0ps kin=1.55 pot=20.30 Rg=6.609 SPS=773
bl=1462 pos[1]=[-3.2 -1.2 -0.1] dr=1.37 t=16620.0ps kin=1.52 pot=20.32 Rg=6.592 SPS=1056
bl=1463 pos[1]=[-3.6 -2.1 0.2] dr=1.40 t=16630.0ps kin=1.55 pot=20.35 Rg=6.603 SPS=1254
bl=1464 pos[1]=[-1.9 -3.0 -1.0] dr=1.33 t=16640.0ps kin=1.49 pot=20.32 Rg=6.555 SPS=974
bl=1465 pos[1]=[-3.0 0.1 -1.5] dr=1.44 t=16650.0ps kin=1.49 pot=20.28 Rg=6.589 SPS=1075
bl=1466 pos[1]=[-2.3 -0.0 -0.7] dr=1.41 t=16660.0ps kin=1.54 pot=20.22 Rg=6.639 SPS=1257
bl=1467 pos[1]=[-2.5 -0.4 -1.3] dr=1.33 t=16670.0ps kin=1.45 pot=20.28 Rg=6.647 SPS=1151
bl=1468 pos[1]=[-2.8 -0.7 -1.4] dr=1.38 t=16680.0ps kin=1.47 pot=20.26 Rg=6.589 SPS=1132
bl=1469 pos[1]=[-4.3 0.4 -2.2] dr=1.34 t=16690.0ps kin=1.44 pot=20.24 Rg=6.646 SPS=1386
bl=1470 pos[1]=[-4.7 -1.2 -1.6] dr=1.34 t=16700.0ps kin=1.53 pot=20.21 Rg=6.520 SPS=1176
bl=1471 pos[1]=[-4.2 -1.1 -1.7] dr=1.37 t=16710.0ps kin=1.47 pot=20.26 Rg=6.481 SPS=1410
bl=1472 pos[1]=[-4.3 -1.5 -2.5] dr=1.36 t=16720.0ps kin=1.48 pot=20.27 Rg=6.586 SPS=1390
bl=1473 pos[1]=[-4.4 -0.3 -2.4] dr=1.37 t=16730.0ps kin=1.52 pot=20.26 Rg=6.632 SPS=1410
bl=1474 pos[1]=[-3.9 -0.5 -2.4] dr=1.31 t=16740.0ps kin=1.53 pot=20.23 Rg=6.651 SPS=1400
bl=1475 pos[1]=[-4.2 -1.8 -1.1] dr=1.32 t=16750.0ps kin=1.48 pot=20.27 Rg=6.682 SPS=1397
bl=1476 pos[1]=[-3.7 -0.8 0.4] dr=1.37 t=16760.0ps kin=1.48 pot=20.27 Rg=6.688 SPS=1399
bl=1477 pos[1]=[-4.2 -0.4 1.7] dr=1.32 t=16770.0ps kin=1.47 pot=20.25 Rg=6.681 SPS=1386
bl=1478 pos[1]=[-4.9 0.2 1.3] dr=1.28 t=16780.0ps kin=1.50 pot=20.28 Rg=6.720 SPS=1408
bl=1479 pos[1]=[-3.2 -2.3 2.8] dr=1.31 t=16790.0ps kin=1.48 pot=20.28 Rg=6.702 SPS=1380
bl=1480 pos[1]=[-4.7 -4.7 1.9] dr=1.34 t=16800.0ps kin=1.52 pot=20.20 Rg=6.604 SPS=1405
bl=1481 pos[1]=[-6.2 -3.2 1.7] dr=1.29 t=16810.0ps kin=1.48 pot=20.23 Rg=6.619 SPS=1400
bl=1482 pos[1]=[-4.2 -4.3 1.8] dr=1.30 t=16820.0ps kin=1.47 pot=20.21 Rg=6.640 SPS=1377
bl=1483 pos[1]=[-4.2 -4.7 0.7] dr=1.36 t=16830.0ps kin=1.50 pot=20.25 Rg=6.674 SPS=1400
bl=1484 pos[1]=[-4.8 -3.8 -1.5] dr=1.37 t=16840.0ps kin=1.49 pot=20.28 Rg=6.570 SPS=1401
bl=1485 pos[1]=[-4.7 -2.7 -2.4] dr=1.31 t=16850.0ps kin=1.49 pot=20.24 Rg=6.557 SPS=1413
bl=1486 pos[1]=[-4.2 -2.8 -2.2] dr=1.34 t=16860.0ps kin=1.48 pot=20.23 Rg=6.595 SPS=1393
bl=1487 pos[1]=[-4.4 -2.1 -0.9] dr=1.34 t=16870.0ps kin=1.41 pot=20.21 Rg=6.528 SPS=1394
bl=1488 pos[1]=[-3.3 -1.5 -0.8] dr=1.30 t=16880.0ps kin=1.43 pot=20.22 Rg=6.529 SPS=1398
bl=1489 pos[1]=[-2.7 -2.3 -0.2] dr=1.33 t=16890.0ps kin=1.49 pot=20.17 Rg=6.557 SPS=1394
bl=1490 pos[1]=[-3.7 -2.9 -0.8] dr=1.35 t=16900.0ps kin=1.45 pot=20.28 Rg=6.571 SPS=1242
bl=1491 pos[1]=[-4.1 -3.8 -0.8] dr=1.31 t=16910.0ps kin=1.50 pot=20.23 Rg=6.668 SPS=869
bl=1492 pos[1]=[-5.1 -3.4 -1.1] dr=1.37 t=16920.0ps kin=1.49 pot=20.26 Rg=6.698 SPS=943
bl=1493 pos[1]=[-5.0 -3.7 -3.2] dr=1.32 t=16930.0ps kin=1.52 pot=20.15 Rg=6.646 SPS=1198
bl=1494 pos[1]=[-4.5 -5.1 -2.4] dr=1.32 t=16940.0ps kin=1.45 pot=20.24 Rg=6.696 SPS=1164
bl=1495 pos[1]=[-5.7 -5.8 -1.4] dr=1.30 t=16950.0ps kin=1.42 pot=20.26 Rg=6.707 SPS=879
bl=1496 pos[1]=[-2.1 -3.6 -0.0] dr=1.37 t=16960.0ps kin=1.53 pot=20.20 Rg=6.657 SPS=1249
bl=1497 pos[1]=[-2.4 -4.6 -0.7] dr=1.35 t=16970.0ps kin=1.48 pot=20.30 Rg=6.620 SPS=1017
bl=1498 pos[1]=[-3.4 -4.2 -1.4] dr=1.36 t=16980.0ps kin=1.47 pot=20.25 Rg=6.580 SPS=1233
bl=1499 pos[1]=[-3.3 -2.4 -1.7] dr=1.32 t=16990.0ps kin=1.49 pot=20.27 Rg=6.631 SPS=1246
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-8.98967421 -1.29931789 -5.04188219] Rg = 6.63102
median bond size is 0.9673971848909133
three shortest/longest (<10)/ bonds are [0.88152642 0.88593766 0.88706862] [1.07299791 1.08063452 1.11102864]
95 percentile of distance to center is: 9.641630070454061
density of closest 95% monomers is: 0.343117834324663
density of the core monomers is: 0.7642819098764574
min/median/mean/max coordinates are:
x: -18.94, -9.03, -8.99, 3.70
y: -9.88, -1.36, -1.30, 8.23
z: -14.63, -4.95, -5.04, 4.67
Statistics for velocities:
mean kinetic energy is: 1.492557373076726 should be: 1.5
fastest particles are (in kT): [6.14811418 6.52504762 7.07225497 7.73042774 8.8624849 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.268076488753685
bl=1500 pos[1]=[-1.9 -2.2 -2.0] dr=1.31 t=17000.0ps kin=1.50 pot=20.25 Rg=6.722 SPS=1314
bl=1501 pos[1]=[-2.2 -2.7 -2.5] dr=1.40 t=17010.0ps kin=1.53 pot=20.26 Rg=6.727 SPS=1288
bl=1502 pos[1]=[-1.9 -3.5 -3.0] dr=1.35 t=17020.0ps kin=1.48 pot=20.27 Rg=6.716 SPS=1319
bl=1503 pos[1]=[-3.0 -4.6 -3.2] dr=1.36 t=17030.0ps kin=1.48 pot=20.24 Rg=6.657 SPS=1252
bl=1504 pos[1]=[-2.6 -4.4 -4.4] dr=1.30 t=17040.0ps kin=1.49 pot=20.24 Rg=6.732 SPS=814
bl=1505 pos[1]=[-1.6 -5.9 -5.5] dr=1.37 t=17050.0ps kin=1.55 pot=20.22 Rg=6.701 SPS=1275
bl=1506 pos[1]=[-1.7 -5.3 -4.8] dr=1.34 t=17060.0ps kin=1.46 pot=20.23 Rg=6.664 SPS=1391
bl=1507 pos[1]=[-1.4 -2.8 -5.1] dr=1.37 t=17070.0ps kin=1.50 pot=20.28 Rg=6.607 SPS=1382
bl=1508 pos[1]=[-2.4 -3.4 -7.1] dr=1.34 t=17080.0ps kin=1.51 pot=20.26 Rg=6.669 SPS=1401
bl=1509 pos[1]=[-1.2 -4.5 -4.8] dr=1.32 t=17090.0ps kin=1.48 pot=20.24 Rg=6.682 SPS=1401
bl=1510 pos[1]=[-3.1 -5.2 -5.4] dr=1.33 t=17100.0ps kin=1.47 pot=20.29 Rg=6.693 SPS=1388
bl=1511 pos[1]=[-3.2 -8.9 -3.5] dr=1.33 t=17110.0ps kin=1.48 pot=20.24 Rg=6.671 SPS=1212
bl=1512 pos[1]=[-3.9 -9.9 -3.1] dr=1.34 t=17120.0ps kin=1.54 pot=20.23 Rg=6.594 SPS=1371
bl=1513 pos[1]=[-3.3 -6.9 -2.9] dr=1.36 t=17130.0ps kin=1.53 pot=20.25 Rg=6.615 SPS=1404
bl=1514 pos[1]=[-2.7 -6.2 -2.4] dr=1.34 t=17140.0ps kin=1.51 pot=20.23 Rg=6.702 SPS=1401
bl=1515 pos[1]=[-3.7 -5.7 -4.2] dr=1.38 t=17150.0ps kin=1.51 pot=20.25 Rg=6.677 SPS=1133
bl=1516 pos[1]=[-3.3 -5.9 -4.5] dr=1.38 t=17160.0ps kin=1.48 pot=20.30 Rg=6.638 SPS=966
bl=1517 pos[1]=[-3.5 -6.5 -4.1] dr=1.36 t=17170.0ps kin=1.50 pot=20.36 Rg=6.650 SPS=1150
bl=1518 pos[1]=[-3.4 -8.3 -6.2] dr=1.32 t=17180.0ps kin=1.50 pot=20.26 Rg=6.590 SPS=1186
bl=1519 pos[1]=[-3.4 -6.4 -6.4] dr=1.39 t=17190.0ps kin=1.52 pot=20.26 Rg=6.536 SPS=933
bl=1520 pos[1]=[-4.5 -7.2 -5.2] dr=1.32 t=17200.0ps kin=1.52 pot=20.30 Rg=6.561 SPS=1295
bl=1521 pos[1]=[-4.4 -5.7 -7.1] dr=1.37 t=17210.0ps kin=1.52 pot=20.25 Rg=6.586 SPS=1365
bl=1522 pos[1]=[-3.3 -4.8 -5.7] dr=1.37 t=17220.0ps kin=1.45 pot=20.22 Rg=6.603 SPS=1407
bl=1523 pos[1]=[-1.6 -4.4 -5.9] dr=1.39 t=17230.0ps kin=1.44 pot=20.23 Rg=6.564 SPS=1379
bl=1524 pos[1]=[-2.2 -3.9 -5.6] dr=1.32 t=17240.0ps kin=1.47 pot=20.22 Rg=6.521 SPS=1401
bl=1525 pos[1]=[-1.0 -1.8 -8.7] dr=1.30 t=17250.0ps kin=1.45 pot=20.22 Rg=6.512 SPS=1394
bl=1526 pos[1]=[-1.2 -3.9 -10.2] dr=1.32 t=17260.0ps kin=1.47 pot=20.21 Rg=6.540 SPS=1362
bl=1527 pos[1]=[-1.2 -5.9 -9.4] dr=1.27 t=17270.0ps kin=1.47 pot=20.29 Rg=6.598 SPS=1386
bl=1528 pos[1]=[-1.6 -4.0 -8.9] dr=1.34 t=17280.0ps kin=1.48 pot=20.28 Rg=6.586 SPS=1384
bl=1529 pos[1]=[-1.9 -5.5 -8.3] dr=1.32 t=17290.0ps kin=1.52 pot=20.26 Rg=6.576 SPS=1402
bl=1530 pos[1]=[-2.2 -4.1 -9.3] dr=1.29 t=17300.0ps kin=1.51 pot=20.21 Rg=6.603 SPS=1393
bl=1531 pos[1]=[-2.1 -5.6 -8.7] dr=1.28 t=17310.0ps kin=1.45 pot=20.21 Rg=6.564 SPS=1397
bl=1532 pos[1]=[-2.8 -4.4 -9.1] dr=1.35 t=17320.0ps kin=1.49 pot=20.20 Rg=6.577 SPS=1376
bl=1533 pos[1]=[-3.9 -7.6 -7.8] dr=1.39 t=17330.0ps kin=1.54 pot=20.27 Rg=6.573 SPS=1368
bl=1534 pos[1]=[-2.0 -7.0 -6.1] dr=1.36 t=17340.0ps kin=1.47 pot=20.32 Rg=6.602 SPS=1414
bl=1535 pos[1]=[-4.0 -7.4 -5.1] dr=1.31 t=17350.0ps kin=1.55 pot=20.23 Rg=6.665 SPS=1384
bl=1536 pos[1]=[-1.5 -9.1 -6.1] dr=1.35 t=17360.0ps kin=1.50 pot=20.23 Rg=6.623 SPS=1398
bl=1537 pos[1]=[-3.0 -8.0 -5.4] dr=1.37 t=17370.0ps kin=1.48 pot=20.27 Rg=6.602 SPS=1219
bl=1538 pos[1]=[-1.9 -8.2 -4.0] dr=1.35 t=17380.0ps kin=1.52 pot=20.14 Rg=6.515 SPS=1217
bl=1539 pos[1]=[-2.1 -4.2 -6.1] dr=1.40 t=17390.0ps kin=1.55 pot=20.24 Rg=6.529 SPS=1212
bl=1540 pos[1]=[-4.0 -2.4 -6.2] dr=1.43 t=17400.0ps kin=1.56 pot=20.23 Rg=6.543 SPS=1267
bl=1541 pos[1]=[-4.5 -2.8 -5.7] dr=1.36 t=17410.0ps kin=1.47 pot=20.32 Rg=6.525 SPS=1254
bl=1542 pos[1]=[-5.0 -3.3 -5.3] dr=1.31 t=17420.0ps kin=1.52 pot=20.26 Rg=6.486 SPS=1335
bl=1543 pos[1]=[-4.8 -3.0 -5.5] dr=1.38 t=17430.0ps kin=1.53 pot=20.24 Rg=6.476 SPS=1324
bl=1544 pos[1]=[-4.4 -2.2 -4.7] dr=1.37 t=17440.0ps kin=1.50 pot=20.30 Rg=6.490 SPS=1355
bl=1545 pos[1]=[-4.3 -2.4 -5.7] dr=1.38 t=17450.0ps kin=1.50 pot=20.28 Rg=6.438 SPS=1114
bl=1546 pos[1]=[-4.4 -4.2 -6.0] dr=1.32 t=17460.0ps kin=1.48 pot=20.26 Rg=6.529 SPS=1160
bl=1547 pos[1]=[-4.2 -4.0 -5.1] dr=1.38 t=17470.0ps kin=1.50 pot=20.28 Rg=6.528 SPS=1163
bl=1548 pos[1]=[-3.9 -4.5 -6.1] dr=1.36 t=17480.0ps kin=1.52 pot=20.32 Rg=6.458 SPS=1389
bl=1549 pos[1]=[-3.6 -5.5 -4.9] dr=1.32 t=17490.0ps kin=1.50 pot=20.22 Rg=6.516 SPS=1367
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-9.25149779 -1.39801417 -5.43826565] Rg = 6.516204
median bond size is 0.963923911807929
three shortest/longest (<10)/ bonds are [0.88613786 0.8883721 0.88865452] [1.06859752 1.07116418 1.09764513]
95 percentile of distance to center is: 9.14709844835531
density of closest 95% monomers is: 0.4018320986042481
density of the core monomers is: 0.7006441521029455
min/median/mean/max coordinates are:
x: -19.27, -8.99, -9.25, 1.62
y: -9.63, -1.26, -1.40, 5.80
z: -13.73, -5.35, -5.44, 3.17
Statistics for velocities:
mean kinetic energy is: 1.5011686704369658 should be: 1.5
fastest particles are (in kT): [ 7.5276496 8.28119459 8.50219588 8.83381743 11.46697272]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.216482877028024
bl=1550 pos[1]=[-3.9 -6.4 -6.6] dr=1.39 t=17500.0ps kin=1.47 pot=20.26 Rg=6.611 SPS=1379
bl=1551 pos[1]=[-4.3 -6.6 -6.9] dr=1.36 t=17510.0ps kin=1.50 pot=20.27 Rg=6.581 SPS=1395
bl=1552 pos[1]=[-2.9 -5.9 -6.4] dr=1.36 t=17520.0ps kin=1.47 pot=20.27 Rg=6.635 SPS=1039
bl=1553 pos[1]=[-3.4 -5.8 -5.9] dr=1.35 t=17530.0ps kin=1.55 pot=20.29 Rg=6.639 SPS=761
bl=1554 pos[1]=[-3.4 -5.6 -7.1] dr=1.37 t=17540.0ps kin=1.51 pot=20.26 Rg=6.526 SPS=1058
bl=1555 pos[1]=[-1.7 -6.7 -6.3] dr=1.31 t=17550.0ps kin=1.50 pot=20.25 Rg=6.493 SPS=1368
bl=1556 pos[1]=[-2.9 -6.1 -6.1] dr=1.37 t=17560.0ps kin=1.49 pot=20.29 Rg=6.473 SPS=1004
bl=1557 pos[1]=[-4.2 -6.1 -6.6] dr=1.32 t=17570.0ps kin=1.48 pot=20.22 Rg=6.412 SPS=1113
bl=1558 pos[1]=[-5.1 -5.2 -6.2] dr=1.33 t=17580.0ps kin=1.51 pot=20.26 Rg=6.462 SPS=729
bl=1559 pos[1]=[-5.9 -6.0 -6.6] dr=1.32 t=17590.0ps kin=1.53 pot=20.24 Rg=6.475 SPS=953
bl=1560 pos[1]=[-5.7 -6.3 -7.2] dr=1.33 t=17600.0ps kin=1.49 pot=20.22 Rg=6.465 SPS=1107
bl=1561 pos[1]=[-5.4 -6.2 -6.4] dr=1.31 t=17610.0ps kin=1.54 pot=20.22 Rg=6.481 SPS=1069
bl=1562 pos[1]=[-4.9 -5.5 -5.7] dr=1.33 t=17620.0ps kin=1.47 pot=20.22 Rg=6.507 SPS=1143
bl=1563 pos[1]=[-5.6 -6.2 -5.6] dr=1.32 t=17630.0ps kin=1.47 pot=20.27 Rg=6.420 SPS=901
bl=1564 pos[1]=[-5.0 -8.0 -5.0] dr=1.32 t=17640.0ps kin=1.51 pot=20.21 Rg=6.480 SPS=1194
bl=1565 pos[1]=[-6.4 -6.4 -4.7] dr=1.38 t=17650.0ps kin=1.44 pot=20.30 Rg=6.492 SPS=735
bl=1566 pos[1]=[-7.3 -6.4 -3.8] dr=1.33 t=17660.0ps kin=1.51 pot=20.23 Rg=6.504 SPS=899
bl=1567 pos[1]=[-8.6 -7.5 -4.4] dr=1.34 t=17670.0ps kin=1.48 pot=20.23 Rg=6.473 SPS=818
bl=1568 pos[1]=[-7.8 -8.2 -4.5] dr=1.38 t=17680.0ps kin=1.44 pot=20.27 Rg=6.421 SPS=866
bl=1569 pos[1]=[-7.1 -7.2 -4.5] dr=1.31 t=17690.0ps kin=1.50 pot=20.28 Rg=6.433 SPS=781
bl=1570 pos[1]=[-8.1 -5.5 -4.6] dr=1.33 t=17700.0ps kin=1.47 pot=20.23 Rg=6.421 SPS=1137
bl=1571 pos[1]=[-8.0 -5.6 -5.0] dr=1.30 t=17710.0ps kin=1.49 pot=20.19 Rg=6.327 SPS=1247
bl=1572 pos[1]=[-6.0 -4.4 -5.3] dr=1.33 t=17720.0ps kin=1.49 pot=20.25 Rg=6.391 SPS=1078
bl=1573 pos[1]=[-4.8 -6.3 -5.6] dr=1.34 t=17730.0ps kin=1.52 pot=20.26 Rg=6.439 SPS=1182
bl=1574 pos[1]=[-4.7 -5.0 -4.9] dr=1.37 t=17740.0ps kin=1.55 pot=20.27 Rg=6.492 SPS=1361
bl=1575 pos[1]=[-2.6 -4.4 -1.6] dr=1.37 t=17750.0ps kin=1.54 pot=20.30 Rg=6.616 SPS=1330
bl=1576 pos[1]=[-4.1 -3.9 1.3] dr=1.40 t=17760.0ps kin=1.49 pot=20.23 Rg=6.588 SPS=1343
bl=1577 pos[1]=[-6.4 -3.6 2.0] dr=1.36 t=17770.0ps kin=1.58 pot=20.22 Rg=6.548 SPS=1163
bl=1578 pos[1]=[-4.4 -4.1 1.2] dr=1.34 t=17780.0ps kin=1.48 pot=20.30 Rg=6.608 SPS=959
bl=1579 pos[1]=[-5.9 -4.2 1.3] dr=1.35 t=17790.0ps kin=1.51 pot=20.24 Rg=6.504 SPS=760
bl=1580 pos[1]=[-5.1 -5.3 1.1] dr=1.27 t=17800.0ps kin=1.53 pot=20.20 Rg=6.543 SPS=942
bl=1581 pos[1]=[-3.6 -3.9 -0.1] dr=1.37 t=17810.0ps kin=1.53 pot=20.26 Rg=6.567 SPS=972
bl=1582 pos[1]=[-4.8 -2.7 -0.7] dr=1.32 t=17820.0ps kin=1.49 pot=20.23 Rg=6.496 SPS=852
bl=1583 pos[1]=[-4.9 -3.0 -3.5] dr=1.39 t=17830.0ps kin=1.48 pot=20.30 Rg=6.450 SPS=787
bl=1584 pos[1]=[-5.5 -5.1 -3.7] dr=1.37 t=17840.0ps kin=1.44 pot=20.22 Rg=6.539 SPS=1308
bl=1585 pos[1]=[-4.5 -2.4 -1.8] dr=1.30 t=17850.0ps kin=1.53 pot=20.22 Rg=6.466 SPS=1359
bl=1586 pos[1]=[-5.0 -2.6 -2.0] dr=1.31 t=17860.0ps kin=1.52 pot=20.23 Rg=6.440 SPS=909
bl=1587 pos[1]=[-4.6 -3.8 -2.1] dr=1.28 t=17870.0ps kin=1.45 pot=20.23 Rg=6.443 SPS=895
bl=1588 pos[1]=[-4.9 -3.6 -0.6] dr=1.31 t=17880.0ps kin=1.48 pot=20.20 Rg=6.409 SPS=803
bl=1589 pos[1]=[-6.3 -5.7 -1.9] dr=1.33 t=17890.0ps kin=1.49 pot=20.25 Rg=6.417 SPS=1347
bl=1590 pos[1]=[-7.1 -7.5 -2.0] dr=1.34 t=17900.0ps kin=1.51 pot=20.21 Rg=6.411 SPS=1166
bl=1591 pos[1]=[-7.1 -5.8 -2.7] dr=1.32 t=17910.0ps kin=1.47 pot=20.19 Rg=6.454 SPS=888
bl=1592 pos[1]=[-8.7 -6.7 -2.2] dr=1.32 t=17920.0ps kin=1.48 pot=20.25 Rg=6.498 SPS=806
bl=1593 pos[1]=[-6.9 -8.3 -3.7] dr=1.35 t=17930.0ps kin=1.49 pot=20.28 Rg=6.453 SPS=940
bl=1594 pos[1]=[-6.3 -6.8 -5.8] dr=1.36 t=17940.0ps kin=1.56 pot=20.28 Rg=6.425 SPS=770
bl=1595 pos[1]=[-6.7 -3.8 -6.0] dr=1.36 t=17950.0ps kin=1.53 pot=20.24 Rg=6.406 SPS=758
bl=1596 pos[1]=[-5.5 -4.4 -6.4] dr=1.35 t=17960.0ps kin=1.46 pot=20.25 Rg=6.415 SPS=1122
bl=1597 pos[1]=[-5.9 -4.4 -7.2] dr=1.30 t=17970.0ps kin=1.41 pot=20.20 Rg=6.517 SPS=1180
bl=1598 pos[1]=[-6.4 -4.7 -6.7] dr=1.28 t=17980.0ps kin=1.46 pot=20.18 Rg=6.476 SPS=1053
bl=1599 pos[1]=[-8.5 -4.7 -6.6] dr=1.26 t=17990.0ps kin=1.50 pot=20.21 Rg=6.474 SPS=1173
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-9.98554532 0.01600238 -5.80444489] Rg = 6.47363
median bond size is 0.9668316432736499
three shortest/longest (<10)/ bonds are [0.86711882 0.88377455 0.88837499] [1.073364 1.1012691 1.10884169]
95 percentile of distance to center is: 9.137664372488755
density of closest 95% monomers is: 0.403077984724134
density of the core monomers is: 0.6623382446960013
min/median/mean/max coordinates are:
x: -19.42, -10.05, -9.99, -0.33
y: -7.86, -0.02, 0.02, 7.81
z: -14.64, -5.97, -5.80, 3.73
Statistics for velocities:
mean kinetic energy is: 1.500139435130591 should be: 1.5
fastest particles are (in kT): [ 7.22797614 7.59435894 7.92077783 8.12235223 13.31063037]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.208915237831857
bl=1600 pos[1]=[-7.9 -4.3 -5.3] dr=1.30 t=18000.0ps kin=1.45 pot=20.16 Rg=6.476 SPS=1345
bl=1601 pos[1]=[-8.2 -4.6 -4.3] dr=1.36 t=18010.0ps kin=1.49 pot=20.19 Rg=6.482 SPS=826
bl=1602 pos[1]=[-8.2 -4.6 -4.0] dr=1.31 t=18020.0ps kin=1.44 pot=20.24 Rg=6.422 SPS=843
bl=1603 pos[1]=[-7.9 -4.5 -3.9] dr=1.28 t=18030.0ps kin=1.49 pot=20.17 Rg=6.470 SPS=723
bl=1604 pos[1]=[-8.4 -3.1 -6.2] dr=1.35 t=18040.0ps kin=1.47 pot=20.17 Rg=6.500 SPS=994
bl=1605 pos[1]=[-7.9 -2.4 -5.8] dr=1.39 t=18050.0ps kin=1.43 pot=20.23 Rg=6.496 SPS=772
bl=1606 pos[1]=[-8.5 -3.6 -5.2] dr=1.40 t=18060.0ps kin=1.56 pot=20.18 Rg=6.521 SPS=701
bl=1607 pos[1]=[-6.9 -2.3 -5.9] dr=1.39 t=18070.0ps kin=1.51 pot=20.26 Rg=6.526 SPS=754
bl=1608 pos[1]=[-5.6 -1.9 -5.3] dr=1.33 t=18080.0ps kin=1.53 pot=20.22 Rg=6.418 SPS=987
bl=1609 pos[1]=[-6.0 -2.6 -4.7] dr=1.32 t=18090.0ps kin=1.49 pot=20.26 Rg=6.472 SPS=1094
bl=1610 pos[1]=[-5.6 -5.4 -3.8] dr=1.38 t=18100.0ps kin=1.48 pot=20.18 Rg=6.580 SPS=1162
bl=1611 pos[1]=[-5.1 -6.8 -3.9] dr=1.36 t=18110.0ps kin=1.48 pot=20.23 Rg=6.540 SPS=847
bl=1612 pos[1]=[-2.7 -4.4 -5.0] dr=1.36 t=18120.0ps kin=1.54 pot=20.19 Rg=6.546 SPS=1139
bl=1613 pos[1]=[-2.0 -3.7 -5.3] dr=1.31 t=18130.0ps kin=1.57 pot=20.27 Rg=6.542 SPS=1042
bl=1614 pos[1]=[-3.0 -4.8 -6.1] dr=1.38 t=18140.0ps kin=1.49 pot=20.27 Rg=6.490 SPS=1110
bl=1615 pos[1]=[-5.4 -4.6 -7.3] dr=1.29 t=18150.0ps kin=1.51 pot=20.23 Rg=6.489 SPS=1246
bl=1616 pos[1]=[-7.0 -3.2 -7.7] dr=1.28 t=18160.0ps kin=1.48 pot=20.24 Rg=6.566 SPS=715
bl=1617 pos[1]=[-7.4 -3.6 -7.0] dr=1.35 t=18170.0ps kin=1.45 pot=20.22 Rg=6.504 SPS=775
bl=1618 pos[1]=[-7.0 -3.6 -7.1] dr=1.29 t=18180.0ps kin=1.46 pot=20.21 Rg=6.493 SPS=1027
bl=1619 pos[1]=[-6.0 -3.8 -8.8] dr=1.33 t=18190.0ps kin=1.51 pot=20.16 Rg=6.534 SPS=871
bl=1620 pos[1]=[-5.0 -4.1 -9.5] dr=1.36 t=18200.0ps kin=1.50 pot=20.15 Rg=6.438 SPS=749
bl=1621 pos[1]=[-3.5 -3.3 -7.4] dr=1.34 t=18210.0ps kin=1.46 pot=20.18 Rg=6.481 SPS=1012
bl=1622 pos[1]=[-4.0 -4.7 -4.5] dr=1.38 t=18220.0ps kin=1.51 pot=20.17 Rg=6.515 SPS=1088
bl=1623 pos[1]=[-5.6 -3.6 -1.6] dr=1.33 t=18230.0ps kin=1.51 pot=20.26 Rg=6.496 SPS=1054
bl=1624 pos[1]=[-7.4 -3.5 -2.2] dr=1.33 t=18240.0ps kin=1.50 pot=20.30 Rg=6.535 SPS=1236
bl=1625 pos[1]=[-7.4 -5.1 -2.2] dr=1.40 t=18250.0ps kin=1.49 pot=20.33 Rg=6.497 SPS=1370
bl=1626 pos[1]=[-6.6 -6.5 -4.2] dr=1.41 t=18260.0ps kin=1.48 pot=20.23 Rg=6.456 SPS=1264
bl=1627 pos[1]=[-5.1 -5.0 -4.7] dr=1.30 t=18270.0ps kin=1.46 pot=20.25 Rg=6.423 SPS=1027
bl=1628 pos[1]=[-6.7 -5.8 -5.0] dr=1.38 t=18280.0ps kin=1.45 pot=20.29 Rg=6.488 SPS=1324
bl=1629 pos[1]=[-8.1 -4.3 -2.4] dr=1.37 t=18290.0ps kin=1.51 pot=20.25 Rg=6.444 SPS=1350
bl=1630 pos[1]=[-6.1 -5.9 -3.6] dr=1.38 t=18300.0ps kin=1.53 pot=20.30 Rg=6.564 SPS=1247
bl=1631 pos[1]=[-4.8 -5.6 -3.1] dr=1.43 t=18310.0ps kin=1.47 pot=20.27 Rg=6.635 SPS=1414
bl=1632 pos[1]=[-3.3 -6.1 -0.5] dr=1.34 t=18320.0ps kin=1.49 pot=20.28 Rg=6.587 SPS=1368
bl=1633 pos[1]=[-7.4 -7.8 1.3] dr=1.35 t=18330.0ps kin=1.60 pot=20.21 Rg=6.554 SPS=1403
bl=1634 pos[1]=[-9.4 -7.2 -0.3] dr=1.36 t=18340.0ps kin=1.47 pot=20.27 Rg=6.588 SPS=1364
bl=1635 pos[1]=[-8.7 -8.2 -0.0] dr=1.36 t=18350.0ps kin=1.58 pot=20.26 Rg=6.603 SPS=1372
bl=1636 pos[1]=[-5.7 -7.0 0.5] dr=1.39 t=18360.0ps kin=1.53 pot=20.28 Rg=6.582 SPS=1402
bl=1637 pos[1]=[-5.6 -4.6 -1.5] dr=1.34 t=18370.0ps kin=1.54 pot=20.33 Rg=6.506 SPS=1375
bl=1638 pos[1]=[-6.2 -4.0 -0.8] dr=1.40 t=18380.0ps kin=1.54 pot=20.29 Rg=6.537 SPS=1393
bl=1639 pos[1]=[-6.4 -3.8 -0.1] dr=1.43 t=18390.0ps kin=1.47 pot=20.32 Rg=6.528 SPS=1407
bl=1640 pos[1]=[-6.3 -3.9 0.5] dr=1.35 t=18400.0ps kin=1.45 pot=20.24 Rg=6.582 SPS=1392
bl=1641 pos[1]=[-5.5 -3.9 0.2] dr=1.37 t=18410.0ps kin=1.56 pot=20.21 Rg=6.551 SPS=1065
bl=1642 pos[1]=[-7.8 -4.3 1.2] dr=1.39 t=18420.0ps kin=1.45 pot=20.27 Rg=6.619 SPS=1209
bl=1643 pos[1]=[-5.9 -3.3 0.4] dr=1.42 t=18430.0ps kin=1.52 pot=20.27 Rg=6.592 SPS=1292
bl=1644 pos[1]=[-5.5 -4.5 0.3] dr=1.40 t=18440.0ps kin=1.53 pot=20.26 Rg=6.684 SPS=1296
bl=1645 pos[1]=[-5.9 -6.0 0.5] dr=1.34 t=18450.0ps kin=1.54 pot=20.15 Rg=6.584 SPS=1047
bl=1646 pos[1]=[-3.6 -4.0 1.7] dr=1.39 t=18460.0ps kin=1.46 pot=20.26 Rg=6.571 SPS=1170
bl=1647 pos[1]=[-4.3 -0.9 0.3] dr=1.37 t=18470.0ps kin=1.50 pot=20.26 Rg=6.551 SPS=1357
bl=1648 pos[1]=[-5.6 -0.1 -0.6] dr=1.33 t=18480.0ps kin=1.43 pot=20.27 Rg=6.563 SPS=1128
bl=1649 pos[1]=[-7.3 0.3 0.3] dr=1.32 t=18490.0ps kin=1.47 pot=20.20 Rg=6.578 SPS=798
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-9.87478053 -1.10171412 -5.86902157] Rg = 6.5784836
median bond size is 0.96416215861549
three shortest/longest (<10)/ bonds are [0.88420107 0.88519087 0.88754355] [1.07255761 1.07390885 1.08329944]
95 percentile of distance to center is: 9.405294994591676
density of closest 95% monomers is: 0.36963868845757303
density of the core monomers is: 0.6731503523275091
min/median/mean/max coordinates are:
x: -21.60, -9.68, -9.87, 0.22
y: -8.33, -1.19, -1.10, 6.54
z: -14.46, -5.95, -5.87, 3.02
Statistics for velocities:
mean kinetic energy is: 1.4742286791195363 should be: 1.5
fastest particles are (in kT): [6.1107984 6.18378788 6.34258506 7.08618205 7.62329227]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.197812960914455
bl=1650 pos[1]=[-6.8 0.5 1.0] dr=1.28 t=18500.0ps kin=1.48 pot=20.24 Rg=6.588 SPS=1377
bl=1651 pos[1]=[-5.1 -1.6 0.5] dr=1.34 t=18510.0ps kin=1.51 pot=20.25 Rg=6.550 SPS=1107
bl=1652 pos[1]=[-6.1 -0.5 -0.1] dr=1.34 t=18520.0ps kin=1.52 pot=20.31 Rg=6.605 SPS=1392
bl=1653 pos[1]=[-4.7 -0.2 -0.3] dr=1.32 t=18530.0ps kin=1.46 pot=20.41 Rg=6.611 SPS=1179
bl=1654 pos[1]=[-4.3 1.2 0.7] dr=1.36 t=18540.0ps kin=1.56 pot=20.29 Rg=6.546 SPS=824
bl=1655 pos[1]=[-4.7 1.5 0.3] dr=1.36 t=18550.0ps kin=1.55 pot=20.28 Rg=6.496 SPS=764
bl=1656 pos[1]=[-5.4 0.9 0.4] dr=1.34 t=18560.0ps kin=1.51 pot=20.25 Rg=6.515 SPS=1209
bl=1657 pos[1]=[-8.4 0.6 1.4] dr=1.41 t=18570.0ps kin=1.49 pot=20.30 Rg=6.569 SPS=1126
bl=1658 pos[1]=[-6.6 -0.3 -0.2] dr=1.36 t=18580.0ps kin=1.48 pot=20.26 Rg=6.528 SPS=1133
bl=1659 pos[1]=[-5.2 0.0 0.4] dr=1.33 t=18590.0ps kin=1.47 pot=20.28 Rg=6.543 SPS=896
bl=1660 pos[1]=[-6.1 1.6 4.5] dr=1.33 t=18600.0ps kin=1.51 pot=20.21 Rg=6.495 SPS=1030
bl=1661 pos[1]=[-9.4 0.5 5.1] dr=1.42 t=18610.0ps kin=1.52 pot=20.28 Rg=6.572 SPS=985
bl=1662 pos[1]=[-10.9 -0.5 2.0] dr=1.33 t=18620.0ps kin=1.52 pot=20.21 Rg=6.471 SPS=759
bl=1663 pos[1]=[-11.6 -0.5 2.1] dr=1.34 t=18630.0ps kin=1.54 pot=20.24 Rg=6.494 SPS=709
bl=1664 pos[1]=[-11.7 -0.4 2.2] dr=1.36 t=18640.0ps kin=1.49 pot=20.26 Rg=6.540 SPS=1143
bl=1665 pos[1]=[-9.9 2.9 2.9] dr=1.33 t=18650.0ps kin=1.49 pot=20.25 Rg=6.554 SPS=1384
bl=1666 pos[1]=[-9.7 4.1 3.3] dr=1.32 t=18660.0ps kin=1.49 pot=20.26 Rg=6.515 SPS=1163
bl=1667 pos[1]=[-6.4 4.8 2.7] dr=1.30 t=18670.0ps kin=1.50 pot=20.25 Rg=6.560 SPS=896
bl=1668 pos[1]=[-6.7 2.3 -0.5] dr=1.34 t=18680.0ps kin=1.49 pot=20.22 Rg=6.519 SPS=979
bl=1669 pos[1]=[-5.9 1.9 -1.2] dr=1.32 t=18690.0ps kin=1.53 pot=20.22 Rg=6.534 SPS=1290
bl=1670 pos[1]=[-5.9 2.7 -1.4] dr=1.35 t=18700.0ps kin=1.52 pot=20.30 Rg=6.589 SPS=787
bl=1671 pos[1]=[-7.9 2.9 -1.0] dr=1.36 t=18710.0ps kin=1.50 pot=20.22 Rg=6.547 SPS=743
bl=1672 pos[1]=[-8.3 3.6 -1.1] dr=1.30 t=18720.0ps kin=1.46 pot=20.24 Rg=6.590 SPS=826
bl=1673 pos[1]=[-9.0 4.2 -0.3] dr=1.29 t=18730.0ps kin=1.48 pot=20.22 Rg=6.490 SPS=1076
bl=1674 pos[1]=[-8.7 6.2 -2.1] dr=1.35 t=18740.0ps kin=1.46 pot=20.23 Rg=6.416 SPS=1065
bl=1675 pos[1]=[-9.7 5.1 -2.1] dr=1.29 t=18750.0ps kin=1.48 pot=20.22 Rg=6.467 SPS=1357
bl=1676 pos[1]=[-8.7 3.7 -2.5] dr=1.31 t=18760.0ps kin=1.49 pot=20.25 Rg=6.506 SPS=884
bl=1677 pos[1]=[-9.6 4.5 -1.5] dr=1.36 t=18770.0ps kin=1.46 pot=20.25 Rg=6.548 SPS=1081
bl=1678 pos[1]=[-8.7 3.6 0.7] dr=1.34 t=18780.0ps kin=1.47 pot=20.36 Rg=6.628 SPS=1394
bl=1679 pos[1]=[-7.5 1.6 2.1] dr=1.37 t=18790.0ps kin=1.47 pot=20.30 Rg=6.648 SPS=1389
bl=1680 pos[1]=[-9.1 3.6 0.8] dr=1.37 t=18800.0ps kin=1.52 pot=20.26 Rg=6.587 SPS=1391
bl=1681 pos[1]=[-10.0 2.9 -0.8] dr=1.38 t=18810.0ps kin=1.49 pot=20.24 Rg=6.575 SPS=1195
bl=1682 pos[1]=[-9.2 4.9 -2.2] dr=1.36 t=18820.0ps kin=1.52 pot=20.22 Rg=6.606 SPS=1333
bl=1683 pos[1]=[-6.0 4.0 -1.1] dr=1.34 t=18830.0ps kin=1.50 pot=20.23 Rg=6.543 SPS=1207
bl=1684 pos[1]=[-4.7 2.8 -0.6] dr=1.30 t=18840.0ps kin=1.47 pot=20.29 Rg=6.618 SPS=1358
bl=1685 pos[1]=[-4.0 0.5 2.2] dr=1.39 t=18850.0ps kin=1.56 pot=20.24 Rg=6.573 SPS=1427
bl=1686 pos[1]=[-5.1 1.0 1.1] dr=1.28 t=18860.0ps kin=1.53 pot=20.24 Rg=6.578 SPS=1419
bl=1687 pos[1]=[-5.8 1.9 -0.4] dr=1.35 t=18870.0ps kin=1.47 pot=20.26 Rg=6.612 SPS=1404
bl=1688 pos[1]=[-5.7 3.2 -1.3] dr=1.38 t=18880.0ps kin=1.55 pot=20.30 Rg=6.590 SPS=1409
bl=1689 pos[1]=[-7.8 2.8 -0.1] dr=1.41 t=18890.0ps kin=1.51 pot=20.30 Rg=6.631 SPS=1392
bl=1690 pos[1]=[-5.0 4.7 3.7] dr=1.34 t=18900.0ps kin=1.42 pot=20.31 Rg=6.697 SPS=1411
bl=1691 pos[1]=[-3.9 0.9 6.3] dr=1.32 t=18910.0ps kin=1.46 pot=20.24 Rg=6.691 SPS=1430
bl=1692 pos[1]=[-6.6 -1.8 6.1] dr=1.34 t=18920.0ps kin=1.49 pot=20.21 Rg=6.581 SPS=1403
bl=1693 pos[1]=[-7.2 -0.8 4.4] dr=1.28 t=18930.0ps kin=1.52 pot=20.27 Rg=6.553 SPS=1410
bl=1694 pos[1]=[-5.9 3.7 3.1] dr=1.37 t=18940.0ps kin=1.48 pot=20.28 Rg=6.545 SPS=1411
bl=1695 pos[1]=[-4.3 3.0 2.6] dr=1.36 t=18950.0ps kin=1.48 pot=20.25 Rg=6.606 SPS=1398
bl=1696 pos[1]=[-5.3 1.6 -0.7] dr=1.31 t=18960.0ps kin=1.45 pot=20.25 Rg=6.551 SPS=1374
bl=1697 pos[1]=[-5.3 0.2 -0.5] dr=1.29 t=18970.0ps kin=1.46 pot=20.24 Rg=6.503 SPS=1292
bl=1698 pos[1]=[-4.5 -0.2 1.4] dr=1.33 t=18980.0ps kin=1.46 pot=20.25 Rg=6.629 SPS=1113
bl=1699 pos[1]=[-5.3 -1.9 2.7] dr=1.40 t=18990.0ps kin=1.45 pot=20.24 Rg=6.609 SPS=1185
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-9.81462407 -2.55868486 -5.72768682] Rg = 6.6093674
median bond size is 0.9659093805324633
three shortest/longest (<10)/ bonds are [0.87574902 0.88689287 0.89247402] [1.07569515 1.08335375 1.08979544]
95 percentile of distance to center is: 9.629048146429575
density of closest 95% monomers is: 0.34446461104262666
density of the core monomers is: 0.741416509125353
min/median/mean/max coordinates are:
x: -18.32, -9.81, -9.81, -0.35
y: -11.97, -2.59, -2.56, 4.87
z: -15.68, -5.96, -5.73, 5.42
Statistics for velocities:
mean kinetic energy is: 1.4503857740341903 should be: 1.5
fastest particles are (in kT): [ 6.38365184 6.80478367 7.16373054 9.5521046 10.13736463]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.23884587020649
bl=1700 pos[1]=[-6.2 -1.6 1.9] dr=1.37 t=19000.0ps kin=1.52 pot=20.24 Rg=6.538 SPS=1070
bl=1701 pos[1]=[-6.9 0.1 -0.5] dr=1.34 t=19010.0ps kin=1.46 pot=20.26 Rg=6.464 SPS=858
bl=1702 pos[1]=[-4.7 1.5 0.0] dr=1.35 t=19020.0ps kin=1.53 pot=20.22 Rg=6.527 SPS=717
bl=1703 pos[1]=[-4.7 2.2 -0.2] dr=1.32 t=19030.0ps kin=1.51 pot=20.28 Rg=6.644 SPS=764
bl=1704 pos[1]=[-3.8 1.8 -3.2] dr=1.35 t=19040.0ps kin=1.51 pot=20.26 Rg=6.566 SPS=752
bl=1705 pos[1]=[-4.0 3.3 -2.7] dr=1.36 t=19050.0ps kin=1.52 pot=20.24 Rg=6.498 SPS=1133
bl=1706 pos[1]=[-3.3 2.7 0.5] dr=1.37 t=19060.0ps kin=1.51 pot=20.23 Rg=6.509 SPS=856
bl=1707 pos[1]=[-6.0 1.1 2.4] dr=1.32 t=19070.0ps kin=1.51 pot=20.22 Rg=6.509 SPS=966
bl=1708 pos[1]=[-6.1 -0.9 -0.3] dr=1.30 t=19080.0ps kin=1.48 pot=20.30 Rg=6.521 SPS=1366
bl=1709 pos[1]=[-4.5 0.3 -1.0] dr=1.30 t=19090.0ps kin=1.48 pot=20.27 Rg=6.637 SPS=1264
bl=1710 pos[1]=[-5.2 -1.3 -0.9] dr=1.31 t=19100.0ps kin=1.48 pot=20.21 Rg=6.631 SPS=1156
bl=1711 pos[1]=[-5.4 -1.2 0.1] dr=1.38 t=19110.0ps kin=1.53 pot=20.26 Rg=6.699 SPS=913
bl=1712 pos[1]=[-4.4 -1.7 -1.1] dr=1.34 t=19120.0ps kin=1.50 pot=20.21 Rg=6.629 SPS=1029
bl=1713 pos[1]=[-4.9 -1.6 -2.4] dr=1.33 t=19130.0ps kin=1.51 pot=20.32 Rg=6.724 SPS=1179
bl=1714 pos[1]=[-6.2 -0.3 -2.5] dr=1.44 t=19140.0ps kin=1.54 pot=20.24 Rg=6.721 SPS=841
bl=1715 pos[1]=[-6.1 0.1 -1.9] dr=1.30 t=19150.0ps kin=1.51 pot=20.20 Rg=6.704 SPS=1023
bl=1716 pos[1]=[-6.1 0.0 -1.0] dr=1.35 t=19160.0ps kin=1.47 pot=20.23 Rg=6.679 SPS=784
bl=1717 pos[1]=[-3.5 -2.6 -1.7] dr=1.35 t=19170.0ps kin=1.51 pot=20.19 Rg=6.657 SPS=1029
bl=1718 pos[1]=[-3.4 -3.1 -1.6] dr=1.34 t=19180.0ps kin=1.52 pot=20.25 Rg=6.727 SPS=1240
bl=1719 pos[1]=[-4.3 -1.9 -0.4] dr=1.34 t=19190.0ps kin=1.54 pot=20.25 Rg=6.630 SPS=1402
bl=1720 pos[1]=[-4.1 -0.1 -1.1] dr=1.39 t=19200.0ps kin=1.49 pot=20.29 Rg=6.743 SPS=1134
bl=1721 pos[1]=[-4.4 -2.4 0.6] dr=1.33 t=19210.0ps kin=1.49 pot=20.31 Rg=6.622 SPS=1053
bl=1722 pos[1]=[-5.3 -2.4 1.9] dr=1.30 t=19220.0ps kin=1.52 pot=20.22 Rg=6.587 SPS=1263
bl=1723 pos[1]=[-8.9 -1.7 1.8] dr=1.38 t=19230.0ps kin=1.51 pot=20.24 Rg=6.638 SPS=820
bl=1724 pos[1]=[-9.9 -0.9 2.1] dr=1.40 t=19240.0ps kin=1.45 pot=20.27 Rg=6.670 SPS=879
bl=1725 pos[1]=[-9.4 -1.0 2.2] dr=1.33 t=19250.0ps kin=1.48 pot=20.26 Rg=6.637 SPS=1210
bl=1726 pos[1]=[-8.3 0.8 1.2] dr=1.30 t=19260.0ps kin=1.47 pot=20.25 Rg=6.627 SPS=1325
bl=1727 pos[1]=[-10.5 -3.1 1.2] dr=1.36 t=19270.0ps kin=1.49 pot=20.19 Rg=6.515 SPS=1338
bl=1728 pos[1]=[-9.3 -2.1 2.8] dr=1.31 t=19280.0ps kin=1.49 pot=20.11 Rg=6.509 SPS=1386
bl=1729 pos[1]=[-7.3 -2.3 -0.2] dr=1.24 t=19290.0ps kin=1.51 pot=20.20 Rg=6.500 SPS=1273
bl=1730 pos[1]=[-8.4 -2.3 -2.1] dr=1.33 t=19300.0ps kin=1.47 pot=20.24 Rg=6.470 SPS=728
bl=1731 pos[1]=[-8.7 -2.1 -1.0] dr=1.36 t=19310.0ps kin=1.46 pot=20.19 Rg=6.411 SPS=1007
bl=1732 pos[1]=[-9.2 -2.4 -1.2] dr=1.27 t=19320.0ps kin=1.53 pot=20.18 Rg=6.401 SPS=1087
bl=1733 pos[1]=[-7.7 -3.2 1.7] dr=1.37 t=19330.0ps kin=1.54 pot=20.18 Rg=6.393 SPS=1222
bl=1734 pos[1]=[-6.3 -1.1 1.5] dr=1.33 t=19340.0ps kin=1.50 pot=20.24 Rg=6.440 SPS=805
bl=1735 pos[1]=[-7.6 -0.0 1.1] dr=1.31 t=19350.0ps kin=1.51 pot=20.22 Rg=6.460 SPS=824
bl=1736 pos[1]=[-8.3 -1.8 -0.7] dr=1.35 t=19360.0ps kin=1.50 pot=20.30 Rg=6.493 SPS=988
bl=1737 pos[1]=[-5.0 -2.0 1.4] dr=1.33 t=19370.0ps kin=1.46 pot=20.33 Rg=6.475 SPS=780
bl=1738 pos[1]=[-7.4 -3.3 3.6] dr=1.37 t=19380.0ps kin=1.54 pot=20.17 Rg=6.461 SPS=991
bl=1739 pos[1]=[-10.4 -3.7 2.1] dr=1.38 t=19390.0ps kin=1.49 pot=20.17 Rg=6.443 SPS=930
bl=1740 pos[1]=[-11.4 -3.5 2.2] dr=1.31 t=19400.0ps kin=1.48 pot=20.20 Rg=6.466 SPS=1280
bl=1741 pos[1]=[-10.5 -4.3 1.2] dr=1.40 t=19410.0ps kin=1.50 pot=20.27 Rg=6.524 SPS=1386
bl=1742 pos[1]=[-9.7 -1.0 0.9] dr=1.40 t=19420.0ps kin=1.49 pot=20.28 Rg=6.532 SPS=1399
bl=1743 pos[1]=[-11.1 -2.2 1.4] dr=1.29 t=19430.0ps kin=1.51 pot=20.25 Rg=6.539 SPS=1407
bl=1744 pos[1]=[-10.2 -3.1 1.3] dr=1.35 t=19440.0ps kin=1.55 pot=20.25 Rg=6.540 SPS=1390
bl=1745 pos[1]=[-11.3 -2.9 0.2] dr=1.36 t=19450.0ps kin=1.49 pot=20.30 Rg=6.491 SPS=1363
bl=1746 pos[1]=[-10.8 -2.4 0.2] dr=1.39 t=19460.0ps kin=1.50 pot=20.27 Rg=6.528 SPS=1406
bl=1747 pos[1]=[-10.2 -1.7 0.4] dr=1.32 t=19470.0ps kin=1.46 pot=20.28 Rg=6.607 SPS=1370
bl=1748 pos[1]=[-10.2 -3.9 -0.8] dr=1.38 t=19480.0ps kin=1.51 pot=20.32 Rg=6.532 SPS=1398
bl=1749 pos[1]=[-11.4 -3.8 -0.5] dr=1.39 t=19490.0ps kin=1.53 pot=20.29 Rg=6.521 SPS=1384
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-10.40839586 -3.62426613 -7.39044009] Rg = 6.5212083
median bond size is 0.9642452728703461
three shortest/longest (<10)/ bonds are [0.86871798 0.86872238 0.87298609] [1.09606019 1.11669513 1.12121139]
95 percentile of distance to center is: 9.075178134493537
density of closest 95% monomers is: 0.4114615048917742
density of the core monomers is: 0.6685375901356814
min/median/mean/max coordinates are:
x: -21.72, -10.06, -10.41, -2.27
y: -12.28, -3.69, -3.62, 5.15
z: -15.24, -7.47, -7.39, 1.49
Statistics for velocities:
mean kinetic energy is: 1.5276722859091818 should be: 1.5
fastest particles are (in kT): [7.41462195 7.8046319 8.21117649 8.37477 8.49194362]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.287836755623157
bl=1750 pos[1]=[-12.6 -5.3 0.9] dr=1.36 t=19500.0ps kin=1.53 pot=20.31 Rg=6.502 SPS=1398
bl=1751 pos[1]=[-12.6 -5.2 -0.5] dr=1.37 t=19510.0ps kin=1.51 pot=20.31 Rg=6.508 SPS=1394
bl=1752 pos[1]=[-13.8 -4.5 -1.2] dr=1.32 t=19520.0ps kin=1.44 pot=20.28 Rg=6.490 SPS=1389
bl=1753 pos[1]=[-13.3 -5.2 -1.2] dr=1.34 t=19530.0ps kin=1.51 pot=20.33 Rg=6.518 SPS=1405
bl=1754 pos[1]=[-12.3 -5.7 -0.8] dr=1.31 t=19540.0ps kin=1.55 pot=20.29 Rg=6.622 SPS=1424
bl=1755 pos[1]=[-13.3 -3.5 0.7] dr=1.41 t=19550.0ps kin=1.48 pot=20.32 Rg=6.656 SPS=1376
bl=1756 pos[1]=[-12.1 -2.6 2.6] dr=1.36 t=19560.0ps kin=1.45 pot=20.25 Rg=6.577 SPS=1398
bl=1757 pos[1]=[-15.1 -3.0 2.6] dr=1.32 t=19570.0ps kin=1.56 pot=20.25 Rg=6.567 SPS=1393
bl=1758 pos[1]=[-15.0 -4.5 0.1] dr=1.33 t=19580.0ps kin=1.54 pot=20.26 Rg=6.559 SPS=1382
bl=1759 pos[1]=[-14.9 -5.0 1.0] dr=1.34 t=19590.0ps kin=1.53 pot=20.29 Rg=6.539 SPS=1399
bl=1760 pos[1]=[-16.2 -4.9 -0.4] dr=1.38 t=19600.0ps kin=1.56 pot=20.24 Rg=6.552 SPS=1410
bl=1761 pos[1]=[-14.7 -3.2 -1.1] dr=1.35 t=19610.0ps kin=1.53 pot=20.29 Rg=6.561 SPS=1396
bl=1762 pos[1]=[-14.8 -4.1 -2.6] dr=1.35 t=19620.0ps kin=1.53 pot=20.26 Rg=6.560 SPS=1359
bl=1763 pos[1]=[-13.6 -4.8 -2.9] dr=1.31 t=19630.0ps kin=1.45 pot=20.24 Rg=6.574 SPS=1392
bl=1764 pos[1]=[-13.7 -5.4 -2.9] dr=1.41 t=19640.0ps kin=1.49 pot=20.21 Rg=6.564 SPS=1402
bl=1765 pos[1]=[-15.4 -4.5 -1.7] dr=1.35 t=19650.0ps kin=1.47 pot=20.31 Rg=6.578 SPS=1393
bl=1766 pos[1]=[-14.7 -4.8 -1.5] dr=1.34 t=19660.0ps kin=1.53 pot=20.27 Rg=6.497 SPS=1379
bl=1767 pos[1]=[-13.9 -4.6 -0.4] dr=1.31 t=19670.0ps kin=1.49 pot=20.28 Rg=6.573 SPS=1369
bl=1768 pos[1]=[-12.8 -4.9 -1.3] dr=1.39 t=19680.0ps kin=1.44 pot=20.35 Rg=6.558 SPS=1390
bl=1769 pos[1]=[-12.6 -4.8 -1.9] dr=1.36 t=19690.0ps kin=1.50 pot=20.28 Rg=6.631 SPS=1392
bl=1770 pos[1]=[-12.3 -4.2 -0.4] dr=1.39 t=19700.0ps kin=1.51 pot=20.35 Rg=6.645 SPS=1393
bl=1771 pos[1]=[-11.6 -4.8 -1.3] dr=1.39 t=19710.0ps kin=1.55 pot=20.33 Rg=6.559 SPS=1299
bl=1772 pos[1]=[-14.1 -4.7 -0.7] dr=1.37 t=19720.0ps kin=1.46 pot=20.30 Rg=6.549 SPS=1393
bl=1773 pos[1]=[-13.7 -5.5 -0.1] dr=1.35 t=19730.0ps kin=1.52 pot=20.22 Rg=6.508 SPS=1373
bl=1774 pos[1]=[-12.8 -6.5 1.1] dr=1.37 t=19740.0ps kin=1.50 pot=20.23 Rg=6.542 SPS=1278
bl=1775 pos[1]=[-11.9 -4.8 -0.1] dr=1.31 t=19750.0ps kin=1.47 pot=20.28 Rg=6.482 SPS=1301
bl=1776 pos[1]=[-14.0 -3.3 0.3] dr=1.34 t=19760.0ps kin=1.48 pot=20.23 Rg=6.568 SPS=880
bl=1777 pos[1]=[-13.9 -4.1 0.1] dr=1.39 t=19770.0ps kin=1.50 pot=20.29 Rg=6.513 SPS=799
bl=1778 pos[1]=[-13.3 -4.7 0.4] dr=1.37 t=19780.0ps kin=1.54 pot=20.27 Rg=6.505 SPS=779
bl=1779 pos[1]=[-11.7 -5.3 1.7] dr=1.37 t=19790.0ps kin=1.49 pot=20.30 Rg=6.562 SPS=1339
bl=1780 pos[1]=[-12.2 -6.4 1.3] dr=1.30 t=19800.0ps kin=1.50 pot=20.29 Rg=6.518 SPS=1408
bl=1781 pos[1]=[-10.4 -6.7 1.7] dr=1.32 t=19810.0ps kin=1.53 pot=20.27 Rg=6.482 SPS=1402
bl=1782 pos[1]=[-9.7 -4.1 2.6] dr=1.37 t=19820.0ps kin=1.50 pot=20.26 Rg=6.531 SPS=1380
bl=1783 pos[1]=[-5.9 -2.6 0.6] dr=1.38 t=19830.0ps kin=1.50 pot=20.23 Rg=6.535 SPS=1389
bl=1784 pos[1]=[-6.1 -1.2 -0.2] dr=1.36 t=19840.0ps kin=1.47 pot=20.26 Rg=6.592 SPS=1395
bl=1785 pos[1]=[-7.3 -3.2 1.3] dr=1.33 t=19850.0ps kin=1.50 pot=20.28 Rg=6.561 SPS=1379
bl=1786 pos[1]=[-9.1 -6.3 1.3] dr=1.41 t=19860.0ps kin=1.48 pot=20.28 Rg=6.609 SPS=1394
bl=1787 pos[1]=[-9.9 -4.7 1.7] dr=1.34 t=19870.0ps kin=1.45 pot=20.27 Rg=6.555 SPS=1031
bl=1788 pos[1]=[-9.1 -4.2 3.3] dr=1.39 t=19880.0ps kin=1.51 pot=20.28 Rg=6.629 SPS=1395
bl=1789 pos[1]=[-10.3 -3.5 3.0] dr=1.36 t=19890.0ps kin=1.45 pot=20.27 Rg=6.561 SPS=1402
bl=1790 pos[1]=[-8.1 -3.0 2.2] dr=1.31 t=19900.0ps kin=1.45 pot=20.23 Rg=6.467 SPS=1282
bl=1791 pos[1]=[-9.4 -5.1 1.9] dr=1.33 t=19910.0ps kin=1.42 pot=20.21 Rg=6.521 SPS=1382
bl=1792 pos[1]=[-10.7 -7.9 0.1] dr=1.30 t=19920.0ps kin=1.47 pot=20.20 Rg=6.428 SPS=1404
bl=1793 pos[1]=[-11.0 -8.6 0.0] dr=1.37 t=19930.0ps kin=1.49 pot=20.22 Rg=6.466 SPS=1377
bl=1794 pos[1]=[-9.8 -7.6 -0.3] dr=1.35 t=19940.0ps kin=1.53 pot=20.27 Rg=6.539 SPS=1396
bl=1795 pos[1]=[-9.7 -7.7 1.9] dr=1.35 t=19950.0ps kin=1.45 pot=20.30 Rg=6.609 SPS=1390
bl=1796 pos[1]=[-10.0 -9.2 0.1] dr=1.34 t=19960.0ps kin=1.48 pot=20.27 Rg=6.544 SPS=1383
bl=1797 pos[1]=[-12.3 -8.0 1.6] dr=1.29 t=19970.0ps kin=1.42 pot=20.27 Rg=6.545 SPS=1383
bl=1798 pos[1]=[-13.3 -7.8 0.0] dr=1.36 t=19980.0ps kin=1.46 pot=20.19 Rg=6.515 SPS=1393
bl=1799 pos[1]=[-11.7 -6.4 1.0] dr=1.35 t=19990.0ps kin=1.51 pot=20.18 Rg=6.546 SPS=1359
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-9.71425037 -3.16030365 -7.03983266] Rg = 6.545643
median bond size is 0.9635443695414393
three shortest/longest (<10)/ bonds are [0.87267179 0.88359934 0.88684746] [1.06888626 1.07552328 1.07676108]
95 percentile of distance to center is: 9.26081878024292
density of closest 95% monomers is: 0.3872099672627226
density of the core monomers is: 0.669342255037165
min/median/mean/max coordinates are:
x: -19.19, -9.71, -9.71, -0.21
y: -11.05, -3.19, -3.16, 4.50
z: -17.74, -7.03, -7.04, 2.24
Statistics for velocities:
mean kinetic energy is: 1.513138150209615 should be: 1.5
fastest particles are (in kT): [7.42745338 7.751307 8.80238033 8.89277397 9.58409698]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.182395372418878
bl=1800 pos[1]=[-11.2 -5.9 2.6] dr=1.42 t=20000.0ps kin=1.47 pot=20.24 Rg=6.500 SPS=1164
bl=1801 pos[1]=[-10.2 -4.7 3.6] dr=1.40 t=20010.0ps kin=1.47 pot=20.25 Rg=6.531 SPS=1403
bl=1802 pos[1]=[-9.6 -1.6 1.9] dr=1.32 t=20020.0ps kin=1.52 pot=20.20 Rg=6.524 SPS=1403
bl=1803 pos[1]=[-8.6 -2.1 1.1] dr=1.36 t=20030.0ps kin=1.55 pot=20.15 Rg=6.520 SPS=1341
bl=1804 pos[1]=[-8.0 -2.1 2.5] dr=1.28 t=20040.0ps kin=1.47 pot=20.18 Rg=6.534 SPS=919
bl=1805 pos[1]=[-10.4 -1.1 2.7] dr=1.35 t=20050.0ps kin=1.47 pot=20.22 Rg=6.624 SPS=1063
bl=1806 pos[1]=[-12.0 -0.9 1.0] dr=1.35 t=20060.0ps kin=1.46 pot=20.27 Rg=6.578 SPS=765
bl=1807 pos[1]=[-10.5 -0.5 1.3] dr=1.31 t=20070.0ps kin=1.51 pot=20.25 Rg=6.538 SPS=926
bl=1808 pos[1]=[-10.2 -2.0 4.1] dr=1.43 t=20080.0ps kin=1.54 pot=20.23 Rg=6.585 SPS=1149
bl=1809 pos[1]=[-8.1 -2.0 1.9] dr=1.39 t=20090.0ps kin=1.52 pot=20.23 Rg=6.622 SPS=1332
bl=1810 pos[1]=[-9.0 -3.9 2.1] dr=1.44 t=20100.0ps kin=1.49 pot=20.23 Rg=6.630 SPS=1284
bl=1811 pos[1]=[-10.2 -1.6 4.9] dr=1.30 t=20110.0ps kin=1.49 pot=20.19 Rg=6.550 SPS=806
bl=1812 pos[1]=[-9.2 -3.0 5.4] dr=1.33 t=20120.0ps kin=1.52 pot=20.23 Rg=6.576 SPS=935
bl=1813 pos[1]=[-11.9 -3.8 2.0] dr=1.34 t=20130.0ps kin=1.52 pot=20.22 Rg=6.585 SPS=1307
bl=1814 pos[1]=[-13.2 -2.7 3.3] dr=1.33 t=20140.0ps kin=1.47 pot=20.23 Rg=6.500 SPS=721
bl=1815 pos[1]=[-12.5 -3.6 3.4] dr=1.33 t=20150.0ps kin=1.53 pot=20.21 Rg=6.478 SPS=860
bl=1816 pos[1]=[-10.6 -4.3 3.9] dr=1.32 t=20160.0ps kin=1.44 pot=20.20 Rg=6.416 SPS=753
bl=1817 pos[1]=[-6.6 -4.4 2.9] dr=1.30 t=20170.0ps kin=1.49 pot=20.23 Rg=6.432 SPS=931
bl=1818 pos[1]=[-7.4 -0.4 2.4] dr=1.36 t=20180.0ps kin=1.53 pot=20.23 Rg=6.517 SPS=1164
bl=1819 pos[1]=[-4.9 0.4 2.5] dr=1.31 t=20190.0ps kin=1.46 pot=20.28 Rg=6.490 SPS=851
bl=1820 pos[1]=[-5.7 0.3 2.0] dr=1.36 t=20200.0ps kin=1.45 pot=20.30 Rg=6.443 SPS=801
bl=1821 pos[1]=[-5.6 -2.5 2.3] dr=1.35 t=20210.0ps kin=1.47 pot=20.30 Rg=6.357 SPS=1086
bl=1822 pos[1]=[-7.6 -1.6 -0.2] dr=1.40 t=20220.0ps kin=1.54 pot=20.23 Rg=6.414 SPS=1078
bl=1823 pos[1]=[-8.6 -2.6 -1.3] dr=1.40 t=20230.0ps kin=1.54 pot=20.28 Rg=6.503 SPS=1102
bl=1824 pos[1]=[-7.9 -0.7 -0.8] dr=1.35 t=20240.0ps kin=1.54 pot=20.27 Rg=6.549 SPS=1154
bl=1825 pos[1]=[-8.6 -0.7 -1.5] dr=1.36 t=20250.0ps kin=1.56 pot=20.28 Rg=6.503 SPS=891
bl=1826 pos[1]=[-7.7 -1.7 -1.8] dr=1.33 t=20260.0ps kin=1.54 pot=20.26 Rg=6.487 SPS=1003
bl=1827 pos[1]=[-8.6 -0.9 -1.8] dr=1.34 t=20270.0ps kin=1.50 pot=20.30 Rg=6.462 SPS=763
bl=1828 pos[1]=[-6.0 -0.9 -1.4] dr=1.34 t=20280.0ps kin=1.51 pot=20.28 Rg=6.423 SPS=724
bl=1829 pos[1]=[-6.3 -1.4 -3.4] dr=1.35 t=20290.0ps kin=1.51 pot=20.22 Rg=6.458 SPS=1234
bl=1830 pos[1]=[-7.7 -1.1 -3.4] dr=1.32 t=20300.0ps kin=1.47 pot=20.21 Rg=6.421 SPS=1360
bl=1831 pos[1]=[-8.2 -1.9 -2.8] dr=1.38 t=20310.0ps kin=1.50 pot=20.21 Rg=6.444 SPS=1160
bl=1832 pos[1]=[-8.8 0.7 -0.4] dr=1.30 t=20320.0ps kin=1.47 pot=20.22 Rg=6.462 SPS=1045
bl=1833 pos[1]=[-9.8 -0.7 0.8] dr=1.33 t=20330.0ps kin=1.44 pot=20.25 Rg=6.510 SPS=1208
bl=1834 pos[1]=[-9.5 -1.1 -0.2] dr=1.35 t=20340.0ps kin=1.49 pot=20.25 Rg=6.420 SPS=1203
bl=1835 pos[1]=[-7.8 -1.4 1.4] dr=1.29 t=20350.0ps kin=1.48 pot=20.20 Rg=6.414 SPS=1085
bl=1836 pos[1]=[-6.4 -1.6 1.5] dr=1.34 t=20360.0ps kin=1.42 pot=20.21 Rg=6.478 SPS=1398
bl=1837 pos[1]=[-3.9 -2.9 0.0] dr=1.35 t=20370.0ps kin=1.48 pot=20.19 Rg=6.435 SPS=1399
bl=1838 pos[1]=[-5.1 -3.5 0.3] dr=1.27 t=20380.0ps kin=1.43 pot=20.22 Rg=6.500 SPS=1400
bl=1839 pos[1]=[-5.5 -6.5 0.9] dr=1.28 t=20390.0ps kin=1.45 pot=20.25 Rg=6.551 SPS=1020
bl=1840 pos[1]=[-6.7 -7.7 -1.7] dr=1.28 t=20400.0ps kin=1.45 pot=20.20 Rg=6.522 SPS=843
bl=1841 pos[1]=[-8.0 -7.3 -2.8] dr=1.31 t=20410.0ps kin=1.45 pot=20.34 Rg=6.586 SPS=1296
bl=1842 pos[1]=[-8.4 -6.6 -0.6] dr=1.38 t=20420.0ps kin=1.52 pot=20.26 Rg=6.566 SPS=1103
bl=1843 pos[1]=[-9.4 -5.0 0.6] dr=1.34 t=20430.0ps kin=1.51 pot=20.28 Rg=6.562 SPS=1396
bl=1844 pos[1]=[-8.0 -3.7 0.5] dr=1.32 t=20440.0ps kin=1.47 pot=20.24 Rg=6.478 SPS=1180
bl=1845 pos[1]=[-7.2 -2.8 0.8] dr=1.34 t=20450.0ps kin=1.50 pot=20.21 Rg=6.499 SPS=1403
bl=1846 pos[1]=[-8.9 -3.2 0.8] dr=1.32 t=20460.0ps kin=1.48 pot=20.17 Rg=6.492 SPS=1230
bl=1847 pos[1]=[-8.1 -2.4 0.8] dr=1.30 t=20470.0ps kin=1.48 pot=20.25 Rg=6.454 SPS=1397
bl=1848 pos[1]=[-8.8 -2.3 1.4] dr=1.31 t=20480.0ps kin=1.55 pot=20.28 Rg=6.427 SPS=1364
bl=1849 pos[1]=[-10.1 -0.1 2.8] dr=1.34 t=20490.0ps kin=1.50 pot=20.26 Rg=6.423 SPS=1402
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-10.48006815 -3.72797041 -6.36804159] Rg = 6.42345
median bond size is 0.9671426274311484
three shortest/longest (<10)/ bonds are [0.88199071 0.88268348 0.89191001] [1.07811896 1.08746817 1.09542756]
95 percentile of distance to center is: 8.97475132727001
density of closest 95% monomers is: 0.42542931611536283
density of the core monomers is: 0.6652134043274601
min/median/mean/max coordinates are:
x: -19.06, -10.32, -10.48, -2.89
y: -11.89, -3.63, -3.73, 4.49
z: -16.55, -6.36, -6.37, 2.85
Statistics for velocities:
mean kinetic energy is: 1.5026380747776211 should be: 1.5
fastest particles are (in kT): [ 6.61747894 6.80103633 7.04555206 7.13657058 13.99409051]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.25506141685103
bl=1850 pos[1]=[-8.5 -0.6 3.0] dr=1.35 t=20500.0ps kin=1.55 pot=20.29 Rg=6.544 SPS=1207
bl=1851 pos[1]=[-6.8 -2.1 3.9] dr=1.30 t=20510.0ps kin=1.56 pot=20.28 Rg=6.560 SPS=1363
bl=1852 pos[1]=[-7.9 -1.8 4.5] dr=1.40 t=20520.0ps kin=1.53 pot=20.24 Rg=6.514 SPS=1361
bl=1853 pos[1]=[-7.4 2.1 1.6] dr=1.33 t=20530.0ps kin=1.52 pot=20.25 Rg=6.447 SPS=1216
bl=1854 pos[1]=[-7.4 0.4 -1.0] dr=1.31 t=20540.0ps kin=1.49 pot=20.24 Rg=6.530 SPS=1267
bl=1855 pos[1]=[-6.8 -1.3 -2.3] dr=1.33 t=20550.0ps kin=1.43 pot=20.22 Rg=6.479 SPS=1371
bl=1856 pos[1]=[-7.0 -2.1 -1.8] dr=1.32 t=20560.0ps kin=1.50 pot=20.23 Rg=6.473 SPS=1233
bl=1857 pos[1]=[-7.3 -0.8 -2.3] dr=1.32 t=20570.0ps kin=1.50 pot=20.24 Rg=6.463 SPS=1151
bl=1858 pos[1]=[-7.2 -0.4 -1.1] dr=1.33 t=20580.0ps kin=1.53 pot=20.25 Rg=6.452 SPS=1373
bl=1859 pos[1]=[-7.3 1.4 2.0] dr=1.36 t=20590.0ps kin=1.51 pot=20.20 Rg=6.485 SPS=1182
bl=1860 pos[1]=[-8.1 -0.2 1.3] dr=1.31 t=20600.0ps kin=1.51 pot=20.23 Rg=6.512 SPS=1384
bl=1861 pos[1]=[-9.1 -0.1 -0.9] dr=1.40 t=20610.0ps kin=1.53 pot=20.22 Rg=6.489 SPS=1394
bl=1862 pos[1]=[-7.4 -0.9 0.0] dr=1.35 t=20620.0ps kin=1.51 pot=20.25 Rg=6.434 SPS=1324
bl=1863 pos[1]=[-6.7 -1.3 -0.6] dr=1.35 t=20630.0ps kin=1.51 pot=20.27 Rg=6.464 SPS=1247
bl=1864 pos[1]=[-8.9 1.4 -0.1] dr=1.34 t=20640.0ps kin=1.44 pot=20.25 Rg=6.500 SPS=1352
bl=1865 pos[1]=[-8.7 1.0 -1.6] dr=1.31 t=20650.0ps kin=1.53 pot=20.23 Rg=6.483 SPS=1342
bl=1866 pos[1]=[-8.7 2.0 -1.0] dr=1.40 t=20660.0ps kin=1.54 pot=20.24 Rg=6.490 SPS=1086
bl=1867 pos[1]=[-8.7 0.8 -1.0] dr=1.37 t=20670.0ps kin=1.54 pot=20.28 Rg=6.459 SPS=986
bl=1868 pos[1]=[-9.3 1.2 -0.3] dr=1.35 t=20680.0ps kin=1.55 pot=20.27 Rg=6.454 SPS=1119
bl=1869 pos[1]=[-10.0 1.0 0.2] dr=1.41 t=20690.0ps kin=1.51 pot=20.26 Rg=6.495 SPS=1380
bl=1870 pos[1]=[-9.7 1.1 0.5] dr=1.33 t=20700.0ps kin=1.48 pot=20.24 Rg=6.420 SPS=1389
bl=1871 pos[1]=[-9.7 0.7 0.6] dr=1.34 t=20710.0ps kin=1.50 pot=20.18 Rg=6.337 SPS=1335
bl=1872 pos[1]=[-8.3 2.5 -1.7] dr=1.29 t=20720.0ps kin=1.48 pot=20.26 Rg=6.328 SPS=1388
bl=1873 pos[1]=[-8.6 3.1 0.6] dr=1.35 t=20730.0ps kin=1.50 pot=20.20 Rg=6.337 SPS=1398
bl=1874 pos[1]=[-6.9 2.8 3.9] dr=1.35 t=20740.0ps kin=1.50 pot=20.24 Rg=6.409 SPS=1141
bl=1875 pos[1]=[-5.2 4.4 4.6] dr=1.31 t=20750.0ps kin=1.45 pot=20.21 Rg=6.403 SPS=1350
bl=1876 pos[1]=[-5.7 1.9 6.1] dr=1.29 t=20760.0ps kin=1.47 pot=20.20 Rg=6.426 SPS=1316
bl=1877 pos[1]=[-5.8 -1.3 3.2] dr=1.37 t=20770.0ps kin=1.47 pot=20.20 Rg=6.432 SPS=1387
bl=1878 pos[1]=[-4.6 -0.1 1.9] dr=1.38 t=20780.0ps kin=1.53 pot=20.23 Rg=6.475 SPS=1386
bl=1879 pos[1]=[-6.5 -1.2 0.1] dr=1.35 t=20790.0ps kin=1.49 pot=20.26 Rg=6.446 SPS=1390
bl=1880 pos[1]=[-7.5 -0.2 -0.2] dr=1.30 t=20800.0ps kin=1.45 pot=20.27 Rg=6.468 SPS=1359
bl=1881 pos[1]=[-6.7 0.9 -0.9] dr=1.33 t=20810.0ps kin=1.49 pot=20.22 Rg=6.427 SPS=1263
bl=1882 pos[1]=[-8.2 1.1 -1.5] dr=1.41 t=20820.0ps kin=1.48 pot=20.20 Rg=6.404 SPS=1376
bl=1883 pos[1]=[-9.3 2.7 -1.0] dr=1.41 t=20830.0ps kin=1.51 pot=20.26 Rg=6.464 SPS=955
bl=1884 pos[1]=[-9.0 2.2 0.1] dr=1.35 t=20840.0ps kin=1.51 pot=20.26 Rg=6.522 SPS=1174
bl=1885 pos[1]=[-10.9 -0.6 0.5] dr=1.41 t=20850.0ps kin=1.53 pot=20.27 Rg=6.516 SPS=1318
bl=1886 pos[1]=[-9.9 -1.2 -0.4] dr=1.40 t=20860.0ps kin=1.47 pot=20.26 Rg=6.488 SPS=1169
bl=1887 pos[1]=[-8.9 -1.4 2.4] dr=1.35 t=20870.0ps kin=1.54 pot=20.25 Rg=6.409 SPS=1347
bl=1888 pos[1]=[-9.6 -3.1 3.0] dr=1.31 t=20880.0ps kin=1.51 pot=20.26 Rg=6.449 SPS=1086
bl=1889 pos[1]=[-8.6 -2.6 2.7] dr=1.35 t=20890.0ps kin=1.45 pot=20.25 Rg=6.462 SPS=943
bl=1890 pos[1]=[-7.6 -4.2 0.0] dr=1.34 t=20900.0ps kin=1.50 pot=20.21 Rg=6.428 SPS=1278
bl=1891 pos[1]=[-8.0 -3.9 -0.5] dr=1.36 t=20910.0ps kin=1.47 pot=20.25 Rg=6.502 SPS=820
bl=1892 pos[1]=[-6.4 -2.0 0.1] dr=1.38 t=20920.0ps kin=1.52 pot=20.23 Rg=6.419 SPS=1176
bl=1893 pos[1]=[-6.7 -2.5 -0.1] dr=1.35 t=20930.0ps kin=1.49 pot=20.24 Rg=6.461 SPS=722
bl=1894 pos[1]=[-7.7 -2.2 0.5] dr=1.36 t=20940.0ps kin=1.54 pot=20.26 Rg=6.472 SPS=839
bl=1895 pos[1]=[-10.2 -3.3 2.2] dr=1.24 t=20950.0ps kin=1.52 pot=20.22 Rg=6.414 SPS=1145
bl=1896 pos[1]=[-10.3 -5.1 1.6] dr=1.39 t=20960.0ps kin=1.44 pot=20.31 Rg=6.503 SPS=1069
bl=1897 pos[1]=[-9.4 -3.2 0.8] dr=1.33 t=20970.0ps kin=1.45 pot=20.23 Rg=6.446 SPS=1337
bl=1898 pos[1]=[-11.0 -4.0 0.8] dr=1.31 t=20980.0ps kin=1.49 pot=20.22 Rg=6.449 SPS=1303
bl=1899 pos[1]=[-11.1 -3.5 0.4] dr=1.35 t=20990.0ps kin=1.51 pot=20.18 Rg=6.429 SPS=963
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-10.39749222 -3.59947121 -7.39957573] Rg = 6.429165
median bond size is 0.9644549316543544
three shortest/longest (<10)/ bonds are [0.88479576 0.88782755 0.88921761] [1.08392185 1.08542747 1.10736915]
95 percentile of distance to center is: 9.023406172346899
density of closest 95% monomers is: 0.4185845217636251
density of the core monomers is: 0.6521677469128856
min/median/mean/max coordinates are:
x: -18.74, -10.57, -10.40, -1.28
y: -12.38, -3.64, -3.60, 4.53
z: -16.94, -7.30, -7.40, 1.74
Statistics for velocities:
mean kinetic energy is: 1.5183917918367413 should be: 1.5
fastest particles are (in kT): [7.25072968 7.62849163 7.7524044 8.18800463 8.23086048]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.175792772861357
bl=1900 pos[1]=[-11.5 -4.0 1.0] dr=1.40 t=21000.0ps kin=1.50 pot=20.19 Rg=6.415 SPS=1063
bl=1901 pos[1]=[-12.6 -1.3 1.3] dr=1.31 t=21010.0ps kin=1.43 pot=20.21 Rg=6.390 SPS=1329
bl=1902 pos[1]=[-10.7 -3.1 1.5] dr=1.34 t=21020.0ps kin=1.49 pot=20.24 Rg=6.436 SPS=940
bl=1903 pos[1]=[-11.0 -4.2 1.6] dr=1.35 t=21030.0ps kin=1.53 pot=20.19 Rg=6.418 SPS=1223
bl=1904 pos[1]=[-13.5 -0.9 0.2] dr=1.40 t=21040.0ps kin=1.47 pot=20.19 Rg=6.381 SPS=1313
bl=1905 pos[1]=[-12.5 0.6 -0.1] dr=1.31 t=21050.0ps kin=1.50 pot=20.30 Rg=6.429 SPS=1246
bl=1906 pos[1]=[-10.1 -0.8 -0.5] dr=1.36 t=21060.0ps kin=1.51 pot=20.28 Rg=6.527 SPS=1278
bl=1907 pos[1]=[-10.1 -4.6 2.3] dr=1.33 t=21070.0ps kin=1.49 pot=20.26 Rg=6.548 SPS=1218
bl=1908 pos[1]=[-8.6 -5.5 0.4] dr=1.36 t=21080.0ps kin=1.56 pot=20.25 Rg=6.549 SPS=1072
bl=1909 pos[1]=[-8.8 -5.1 1.1] dr=1.43 t=21090.0ps kin=1.48 pot=20.25 Rg=6.488 SPS=988
bl=1910 pos[1]=[-9.7 -3.5 0.1] dr=1.33 t=21100.0ps kin=1.53 pot=20.23 Rg=6.471 SPS=854
bl=1911 pos[1]=[-7.8 -2.9 -0.5] dr=1.32 t=21110.0ps kin=1.55 pot=20.19 Rg=6.418 SPS=874
bl=1912 pos[1]=[-9.3 -3.3 0.2] dr=1.33 t=21120.0ps kin=1.44 pot=20.23 Rg=6.458 SPS=739
bl=1913 pos[1]=[-11.2 -2.1 0.7] dr=1.31 t=21130.0ps kin=1.48 pot=20.21 Rg=6.441 SPS=1045
bl=1914 pos[1]=[-10.4 -2.0 0.9] dr=1.34 t=21140.0ps kin=1.45 pot=20.24 Rg=6.578 SPS=1235
bl=1915 pos[1]=[-10.5 -2.1 1.3] dr=1.36 t=21150.0ps kin=1.57 pot=20.25 Rg=6.605 SPS=1338
bl=1916 pos[1]=[-11.1 -2.1 -0.4] dr=1.37 t=21160.0ps kin=1.51 pot=20.27 Rg=6.573 SPS=1264
bl=1917 pos[1]=[-9.0 -4.3 1.0] dr=1.39 t=21170.0ps kin=1.51 pot=20.29 Rg=6.465 SPS=1109
bl=1918 pos[1]=[-8.6 -2.5 -0.5] dr=1.29 t=21180.0ps kin=1.52 pot=20.25 Rg=6.482 SPS=1112
bl=1919 pos[1]=[-10.3 -2.9 -0.1] dr=1.29 t=21190.0ps kin=1.48 pot=20.27 Rg=6.466 SPS=1180
bl=1920 pos[1]=[-10.0 -4.0 0.2] dr=1.33 t=21200.0ps kin=1.51 pot=20.22 Rg=6.486 SPS=1355
bl=1921 pos[1]=[-10.4 -1.4 1.6] dr=1.32 t=21210.0ps kin=1.49 pot=20.24 Rg=6.490 SPS=858
bl=1922 pos[1]=[-12.4 -1.8 -0.0] dr=1.34 t=21220.0ps kin=1.46 pot=20.26 Rg=6.459 SPS=1021
bl=1923 pos[1]=[-12.4 -0.5 -1.2] dr=1.32 t=21230.0ps kin=1.49 pot=20.22 Rg=6.442 SPS=1175
bl=1924 pos[1]=[-12.2 -1.3 -2.4] dr=1.30 t=21240.0ps kin=1.48 pot=20.27 Rg=6.470 SPS=1224
bl=1925 pos[1]=[-12.1 -1.6 -2.0] dr=1.32 t=21250.0ps kin=1.54 pot=20.22 Rg=6.384 SPS=1141
bl=1926 pos[1]=[-12.4 -3.0 -0.5] dr=1.38 t=21260.0ps kin=1.48 pot=20.25 Rg=6.427 SPS=1372
bl=1927 pos[1]=[-13.2 -4.2 -0.8] dr=1.34 t=21270.0ps kin=1.53 pot=20.21 Rg=6.395 SPS=861
bl=1928 pos[1]=[-13.0 -4.6 -0.5] dr=1.28 t=21280.0ps kin=1.49 pot=20.20 Rg=6.404 SPS=1273
bl=1929 pos[1]=[-12.9 -3.1 -0.2] dr=1.31 t=21290.0ps kin=1.47 pot=20.21 Rg=6.287 SPS=1165
bl=1930 pos[1]=[-13.2 -1.5 0.8] dr=1.29 t=21300.0ps kin=1.44 pot=20.20 Rg=6.439 SPS=736
bl=1931 pos[1]=[-13.1 -2.6 0.5] dr=1.31 t=21310.0ps kin=1.53 pot=20.21 Rg=6.400 SPS=710
bl=1932 pos[1]=[-13.7 -1.3 -1.6] dr=1.26 t=21320.0ps kin=1.49 pot=20.25 Rg=6.416 SPS=1046
bl=1933 pos[1]=[-12.1 -0.4 -3.7] dr=1.31 t=21330.0ps kin=1.48 pot=20.25 Rg=6.379 SPS=836
bl=1934 pos[1]=[-12.6 -0.9 -3.7] dr=1.32 t=21340.0ps kin=1.48 pot=20.19 Rg=6.433 SPS=1276
bl=1935 pos[1]=[-12.7 -0.2 -2.5] dr=1.31 t=21350.0ps kin=1.49 pot=20.19 Rg=6.390 SPS=1208
bl=1936 pos[1]=[-11.7 -0.9 -1.4] dr=1.34 t=21360.0ps kin=1.51 pot=20.22 Rg=6.488 SPS=1312
bl=1937 pos[1]=[-11.2 -2.2 -1.1] dr=1.37 t=21370.0ps kin=1.48 pot=20.23 Rg=6.503 SPS=1392
bl=1938 pos[1]=[-13.0 -2.6 0.6] dr=1.34 t=21380.0ps kin=1.50 pot=20.20 Rg=6.506 SPS=1403
bl=1939 pos[1]=[-11.6 -1.2 3.7] dr=1.39 t=21390.0ps kin=1.51 pot=20.23 Rg=6.459 SPS=1349
bl=1940 pos[1]=[-12.3 -2.3 2.8] dr=1.35 t=21400.0ps kin=1.44 pot=20.24 Rg=6.492 SPS=1356
bl=1941 pos[1]=[-12.9 1.0 3.3] dr=1.37 t=21410.0ps kin=1.51 pot=20.22 Rg=6.389 SPS=1301
bl=1942 pos[1]=[-13.2 0.9 1.1] dr=1.31 t=21420.0ps kin=1.48 pot=20.26 Rg=6.493 SPS=1330
bl=1943 pos[1]=[-11.5 2.6 1.1] dr=1.34 t=21430.0ps kin=1.46 pot=20.19 Rg=6.435 SPS=1387
bl=1944 pos[1]=[-8.6 3.3 0.3] dr=1.26 t=21440.0ps kin=1.48 pot=20.19 Rg=6.474 SPS=1353
bl=1945 pos[1]=[-8.2 4.6 3.3] dr=1.36 t=21450.0ps kin=1.54 pot=20.18 Rg=6.441 SPS=1332
bl=1946 pos[1]=[-6.9 4.6 4.5] dr=1.35 t=21460.0ps kin=1.52 pot=20.22 Rg=6.463 SPS=1322
bl=1947 pos[1]=[-6.4 5.7 1.6] dr=1.31 t=21470.0ps kin=1.51 pot=20.27 Rg=6.543 SPS=1389
bl=1948 pos[1]=[-7.4 6.4 -1.1] dr=1.36 t=21480.0ps kin=1.47 pot=20.24 Rg=6.539 SPS=1402
bl=1949 pos[1]=[-5.7 6.1 -2.7] dr=1.29 t=21490.0ps kin=1.47 pot=20.22 Rg=6.554 SPS=1392
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-10.67169478 -2.86568966 -6.61555077] Rg = 6.5539117
median bond size is 0.9658811335032348
three shortest/longest (<10)/ bonds are [0.86834702 0.89242446 0.89382581] [1.0721245 1.08651305 1.10635422]
95 percentile of distance to center is: 9.228315207706661
density of closest 95% monomers is: 0.39131583746264376
density of the core monomers is: 0.6975852629170478
min/median/mean/max coordinates are:
x: -19.69, -10.55, -10.67, -1.82
y: -12.11, -2.91, -2.87, 6.30
z: -16.29, -6.40, -6.62, 0.66
Statistics for velocities:
mean kinetic energy is: 1.472822162919006 should be: 1.5
fastest particles are (in kT): [7.35906265 7.7017095 7.73855346 7.77187988 9.01117002]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.223413878134217
bl=1950 pos[1]=[-6.8 6.7 -2.3] dr=1.33 t=21500.0ps kin=1.53 pot=20.21 Rg=6.594 SPS=1392
bl=1951 pos[1]=[-7.7 4.1 -0.5] dr=1.34 t=21510.0ps kin=1.58 pot=20.24 Rg=6.666 SPS=1403
bl=1952 pos[1]=[-4.9 5.7 -2.8] dr=1.34 t=21520.0ps kin=1.48 pot=20.22 Rg=6.622 SPS=1397
bl=1953 pos[1]=[-6.4 4.3 -3.8] dr=1.33 t=21530.0ps kin=1.50 pot=20.27 Rg=6.579 SPS=1394
bl=1954 pos[1]=[-7.8 5.7 -2.1] dr=1.41 t=21540.0ps kin=1.50 pot=20.24 Rg=6.642 SPS=1421
bl=1955 pos[1]=[-9.4 4.4 -0.9] dr=1.35 t=21550.0ps kin=1.52 pot=20.27 Rg=6.636 SPS=1402
bl=1956 pos[1]=[-7.2 3.0 -3.5] dr=1.38 t=21560.0ps kin=1.50 pot=20.28 Rg=6.601 SPS=1426
bl=1957 pos[1]=[-6.4 2.1 -3.7] dr=1.34 t=21570.0ps kin=1.56 pot=20.23 Rg=6.598 SPS=1426
bl=1958 pos[1]=[-5.1 2.2 -4.1] dr=1.31 t=21580.0ps kin=1.48 pot=20.27 Rg=6.565 SPS=1135
bl=1959 pos[1]=[-3.5 3.2 -4.5] dr=1.36 t=21590.0ps kin=1.46 pot=20.28 Rg=6.566 SPS=768
bl=1960 pos[1]=[-5.3 2.8 -5.6] dr=1.31 t=21600.0ps kin=1.50 pot=20.28 Rg=6.510 SPS=995
bl=1961 pos[1]=[-4.5 3.2 -4.5] dr=1.35 t=21610.0ps kin=1.52 pot=20.20 Rg=6.516 SPS=808
bl=1962 pos[1]=[-6.9 3.6 -5.6] dr=1.43 t=21620.0ps kin=1.52 pot=20.24 Rg=6.581 SPS=750
bl=1963 pos[1]=[-7.4 3.8 -7.1] dr=1.36 t=21630.0ps kin=1.55 pot=20.31 Rg=6.659 SPS=993
bl=1964 pos[1]=[-7.6 3.6 -6.3] dr=1.40 t=21640.0ps kin=1.54 pot=20.36 Rg=6.632 SPS=1259
bl=1965 pos[1]=[-7.1 5.4 -7.1] dr=1.37 t=21650.0ps kin=1.56 pot=20.29 Rg=6.542 SPS=1332
bl=1966 pos[1]=[-6.1 4.6 -9.0] dr=1.39 t=21660.0ps kin=1.50 pot=20.27 Rg=6.541 SPS=1401
bl=1967 pos[1]=[-7.0 2.8 -9.7] dr=1.40 t=21670.0ps kin=1.49 pot=20.24 Rg=6.505 SPS=1338
bl=1968 pos[1]=[-7.1 2.1 -9.3] dr=1.34 t=21680.0ps kin=1.51 pot=20.26 Rg=6.445 SPS=889
bl=1969 pos[1]=[-6.7 2.8 -10.0] dr=1.34 t=21690.0ps kin=1.54 pot=20.22 Rg=6.409 SPS=1037
bl=1970 pos[1]=[-8.2 3.5 -9.2] dr=1.36 t=21700.0ps kin=1.52 pot=20.24 Rg=6.506 SPS=1309
bl=1971 pos[1]=[-8.8 5.4 -8.2] dr=1.36 t=21710.0ps kin=1.54 pot=20.24 Rg=6.459 SPS=1081
bl=1972 pos[1]=[-10.1 3.2 -9.2] dr=1.36 t=21720.0ps kin=1.49 pot=20.32 Rg=6.535 SPS=1073
bl=1973 pos[1]=[-10.5 3.5 -9.3] dr=1.37 t=21730.0ps kin=1.53 pot=20.34 Rg=6.496 SPS=1404
bl=1974 pos[1]=[-10.1 2.6 -8.7] dr=1.37 t=21740.0ps kin=1.55 pot=20.26 Rg=6.480 SPS=1390
bl=1975 pos[1]=[-11.5 1.9 -8.8] dr=1.38 t=21750.0ps kin=1.54 pot=20.30 Rg=6.514 SPS=956
bl=1976 pos[1]=[-11.5 1.8 -8.6] dr=1.33 t=21760.0ps kin=1.51 pot=20.27 Rg=6.517 SPS=1008
bl=1977 pos[1]=[-11.0 0.8 -8.3] dr=1.32 t=21770.0ps kin=1.43 pot=20.23 Rg=6.428 SPS=772
bl=1978 pos[1]=[-10.9 2.8 -8.9] dr=1.29 t=21780.0ps kin=1.54 pot=20.20 Rg=6.435 SPS=853
bl=1979 pos[1]=[-10.1 6.2 -9.3] dr=1.39 t=21790.0ps kin=1.51 pot=20.20 Rg=6.402 SPS=741
bl=1980 pos[1]=[-10.3 4.1 -9.2] dr=1.36 t=21800.0ps kin=1.51 pot=20.27 Rg=6.503 SPS=960
bl=1981 pos[1]=[-10.0 4.5 -8.2] dr=1.34 t=21810.0ps kin=1.52 pot=20.24 Rg=6.396 SPS=723
bl=1982 pos[1]=[-10.2 4.4 -7.1] dr=1.33 t=21820.0ps kin=1.53 pot=20.22 Rg=6.510 SPS=1130
bl=1983 pos[1]=[-11.5 6.5 -6.6] dr=1.39 t=21830.0ps kin=1.53 pot=20.28 Rg=6.517 SPS=1085
bl=1984 pos[1]=[-11.4 4.9 -9.4] dr=1.43 t=21840.0ps kin=1.49 pot=20.28 Rg=6.520 SPS=1147
bl=1985 pos[1]=[-7.6 7.5 -9.6] dr=1.39 t=21850.0ps kin=1.49 pot=20.26 Rg=6.532 SPS=910
bl=1986 pos[1]=[-6.4 5.1 -10.3] dr=1.34 t=21860.0ps kin=1.47 pot=20.28 Rg=6.526 SPS=1017
bl=1987 pos[1]=[-7.9 3.1 -10.5] dr=1.35 t=21870.0ps kin=1.48 pot=20.30 Rg=6.460 SPS=771
bl=1988 pos[1]=[-7.2 3.7 -9.1] dr=1.39 t=21880.0ps kin=1.51 pot=20.30 Rg=6.522 SPS=963
bl=1989 pos[1]=[-8.5 4.0 -9.7] dr=1.36 t=21890.0ps kin=1.48 pot=20.32 Rg=6.555 SPS=754
bl=1990 pos[1]=[-9.0 4.8 -9.5] dr=1.32 t=21900.0ps kin=1.47 pot=20.36 Rg=6.603 SPS=1145
bl=1991 pos[1]=[-10.1 3.1 -9.4] dr=1.40 t=21910.0ps kin=1.52 pot=20.32 Rg=6.598 SPS=786
bl=1992 pos[1]=[-11.3 2.8 -10.5] dr=1.38 t=21920.0ps kin=1.51 pot=20.26 Rg=6.443 SPS=958
bl=1993 pos[1]=[-10.9 3.6 -11.5] dr=1.34 t=21930.0ps kin=1.49 pot=20.30 Rg=6.459 SPS=985
bl=1994 pos[1]=[-10.8 4.4 -12.2] dr=1.37 t=21940.0ps kin=1.47 pot=20.25 Rg=6.522 SPS=742
bl=1995 pos[1]=[-12.6 4.1 -11.2] dr=1.36 t=21950.0ps kin=1.44 pot=20.26 Rg=6.540 SPS=951
bl=1996 pos[1]=[-11.5 5.5 -10.0] dr=1.38 t=21960.0ps kin=1.48 pot=20.24 Rg=6.549 SPS=1120
bl=1997 pos[1]=[-10.0 3.3 -9.6] dr=1.38 t=21970.0ps kin=1.46 pot=20.17 Rg=6.531 SPS=1208
bl=1998 pos[1]=[-10.1 1.8 -9.1] dr=1.36 t=21980.0ps kin=1.49 pot=20.27 Rg=6.490 SPS=1145
bl=1999 pos[1]=[-10.3 3.8 -8.9] dr=1.38 t=21990.0ps kin=1.58 pot=20.31 Rg=6.488 SPS=1363
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.49739879 -3.85192447 -8.60862134] Rg = 6.4878564
median bond size is 0.9651145203954056
three shortest/longest (<10)/ bonds are [0.88127761 0.88414749 0.889512 ] [1.09060432 1.10576099 1.1091603 ]
95 percentile of distance to center is: 9.142903925061415
density of closest 95% monomers is: 0.40238540228877573
density of the core monomers is: 0.7414093067309485
min/median/mean/max coordinates are:
x: -21.58, -11.47, -11.50, -0.63
y: -12.65, -4.01, -3.85, 5.57
z: -16.98, -8.58, -8.61, 0.34
Statistics for velocities:
mean kinetic energy is: 1.5866526485612131 should be: 1.5
fastest particles are (in kT): [ 6.74895513 6.78704991 6.82276998 7.10318041 11.45281389]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.314317731379056
bl=2000 pos[1]=[-10.7 3.9 -10.2] dr=1.40 t=22000.0ps kin=1.49 pot=20.30 Rg=6.520 SPS=762
bl=2001 pos[1]=[-9.5 3.2 -12.4] dr=1.33 t=22010.0ps kin=1.45 pot=20.27 Rg=6.509 SPS=1254
bl=2002 pos[1]=[-6.4 3.4 -11.3] dr=1.35 t=22020.0ps kin=1.50 pot=20.26 Rg=6.460 SPS=881
bl=2003 pos[1]=[-7.7 3.7 -11.0] dr=1.27 t=22030.0ps kin=1.54 pot=20.22 Rg=6.368 SPS=933
bl=2004 pos[1]=[-9.3 3.4 -10.4] dr=1.31 t=22040.0ps kin=1.52 pot=20.23 Rg=6.435 SPS=1167
bl=2005 pos[1]=[-9.7 2.3 -10.1] dr=1.38 t=22050.0ps kin=1.52 pot=20.21 Rg=6.377 SPS=1358
bl=2006 pos[1]=[-10.9 2.0 -10.9] dr=1.39 t=22060.0ps kin=1.54 pot=20.19 Rg=6.385 SPS=940
bl=2007 pos[1]=[-10.3 3.5 -12.5] dr=1.36 t=22070.0ps kin=1.51 pot=20.28 Rg=6.407 SPS=882
bl=2008 pos[1]=[-9.6 4.2 -12.5] dr=1.37 t=22080.0ps kin=1.49 pot=20.24 Rg=6.381 SPS=922
bl=2009 pos[1]=[-11.0 3.8 -13.2] dr=1.30 t=22090.0ps kin=1.60 pot=20.22 Rg=6.248 SPS=1073
bl=2010 pos[1]=[-11.2 2.5 -14.0] dr=1.32 t=22100.0ps kin=1.53 pot=20.25 Rg=6.362 SPS=1221
bl=2011 pos[1]=[-10.3 1.9 -13.7] dr=1.33 t=22110.0ps kin=1.50 pot=20.26 Rg=6.380 SPS=1287
bl=2012 pos[1]=[-10.2 2.9 -14.4] dr=1.39 t=22120.0ps kin=1.50 pot=20.27 Rg=6.388 SPS=1345
bl=2013 pos[1]=[-10.9 1.6 -12.3] dr=1.28 t=22130.0ps kin=1.53 pot=20.17 Rg=6.308 SPS=1319
bl=2014 pos[1]=[-8.3 2.4 -12.0] dr=1.35 t=22140.0ps kin=1.51 pot=20.22 Rg=6.360 SPS=1326
bl=2015 pos[1]=[-9.6 3.9 -12.2] dr=1.38 t=22150.0ps kin=1.51 pot=20.28 Rg=6.389 SPS=1334
bl=2016 pos[1]=[-10.3 6.8 -15.3] dr=1.31 t=22160.0ps kin=1.55 pot=20.24 Rg=6.449 SPS=1389
bl=2017 pos[1]=[-10.3 5.4 -14.2] dr=1.41 t=22170.0ps kin=1.51 pot=20.29 Rg=6.439 SPS=1334
bl=2018 pos[1]=[-8.8 1.7 -14.3] dr=1.41 t=22180.0ps kin=1.52 pot=20.32 Rg=6.433 SPS=1348
bl=2019 pos[1]=[-10.0 1.7 -16.1] dr=1.30 t=22190.0ps kin=1.47 pot=20.23 Rg=6.278 SPS=1319
bl=2020 pos[1]=[-11.2 2.5 -15.4] dr=1.32 t=22200.0ps kin=1.49 pot=20.24 Rg=6.428 SPS=1336
bl=2021 pos[1]=[-11.4 2.2 -16.2] dr=1.34 t=22210.0ps kin=1.49 pot=20.20 Rg=6.403 SPS=1375
bl=2022 pos[1]=[-13.2 2.7 -13.7] dr=1.33 t=22220.0ps kin=1.49 pot=20.28 Rg=6.406 SPS=1345
bl=2023 pos[1]=[-13.0 2.0 -15.4] dr=1.41 t=22230.0ps kin=1.51 pot=20.33 Rg=6.440 SPS=1170
bl=2024 pos[1]=[-13.2 1.3 -15.4] dr=1.38 t=22240.0ps kin=1.43 pot=20.28 Rg=6.576 SPS=1401
bl=2025 pos[1]=[-12.4 1.1 -15.9] dr=1.36 t=22250.0ps kin=1.49 pot=20.29 Rg=6.493 SPS=1385
bl=2026 pos[1]=[-11.6 1.3 -15.0] dr=1.37 t=22260.0ps kin=1.49 pot=20.28 Rg=6.466 SPS=1335
bl=2027 pos[1]=[-14.2 3.8 -15.5] dr=1.36 t=22270.0ps kin=1.48 pot=20.29 Rg=6.437 SPS=1377
bl=2028 pos[1]=[-14.8 0.7 -14.3] dr=1.41 t=22280.0ps kin=1.47 pot=20.23 Rg=6.394 SPS=1380
bl=2029 pos[1]=[-15.2 0.9 -14.9] dr=1.39 t=22290.0ps kin=1.49 pot=20.25 Rg=6.429 SPS=1305
bl=2030 pos[1]=[-15.0 -0.9 -14.8] dr=1.32 t=22300.0ps kin=1.47 pot=20.27 Rg=6.417 SPS=1381
bl=2031 pos[1]=[-15.0 0.4 -14.5] dr=1.38 t=22310.0ps kin=1.51 pot=20.17 Rg=6.392 SPS=1366
bl=2032 pos[1]=[-15.3 0.4 -14.5] dr=1.38 t=22320.0ps kin=1.50 pot=20.21 Rg=6.442 SPS=1351
bl=2033 pos[1]=[-13.6 -0.8 -15.4] dr=1.34 t=22330.0ps kin=1.54 pot=20.25 Rg=6.458 SPS=1390
bl=2034 pos[1]=[-13.8 -0.8 -15.3] dr=1.31 t=22340.0ps kin=1.56 pot=20.28 Rg=6.501 SPS=1375
bl=2035 pos[1]=[-13.1 -0.0 -13.8] dr=1.39 t=22350.0ps kin=1.52 pot=20.31 Rg=6.547 SPS=1388
bl=2036 pos[1]=[-11.8 0.1 -13.7] dr=1.39 t=22360.0ps kin=1.48 pot=20.29 Rg=6.435 SPS=1389
bl=2037 pos[1]=[-13.1 -0.0 -13.0] dr=1.31 t=22370.0ps kin=1.48 pot=20.33 Rg=6.413 SPS=1409
bl=2038 pos[1]=[-13.3 0.2 -12.5] dr=1.43 t=22380.0ps kin=1.52 pot=20.26 Rg=6.414 SPS=1372
bl=2039 pos[1]=[-15.0 -0.4 -12.0] dr=1.31 t=22390.0ps kin=1.48 pot=20.30 Rg=6.413 SPS=1269
bl=2040 pos[1]=[-14.0 -0.8 -11.6] dr=1.33 t=22400.0ps kin=1.55 pot=20.22 Rg=6.412 SPS=1394
bl=2041 pos[1]=[-14.5 -0.9 -10.8] dr=1.35 t=22410.0ps kin=1.54 pot=20.24 Rg=6.481 SPS=1398
bl=2042 pos[1]=[-13.9 -0.4 -10.5] dr=1.35 t=22420.0ps kin=1.46 pot=20.29 Rg=6.508 SPS=1386
bl=2043 pos[1]=[-12.9 -0.9 -11.1] dr=1.31 t=22430.0ps kin=1.50 pot=20.23 Rg=6.497 SPS=1382
bl=2044 pos[1]=[-13.0 0.2 -10.8] dr=1.34 t=22440.0ps kin=1.48 pot=20.24 Rg=6.465 SPS=1378
bl=2045 pos[1]=[-12.3 0.3 -11.7] dr=1.34 t=22450.0ps kin=1.53 pot=20.30 Rg=6.443 SPS=1354
bl=2046 pos[1]=[-12.2 -0.9 -11.3] dr=1.36 t=22460.0ps kin=1.47 pot=20.31 Rg=6.417 SPS=1407
bl=2047 pos[1]=[-11.0 -0.5 -11.6] dr=1.35 t=22470.0ps kin=1.47 pot=20.27 Rg=6.497 SPS=1370
bl=2048 pos[1]=[-11.7 0.2 -12.4] dr=1.38 t=22480.0ps kin=1.54 pot=20.27 Rg=6.479 SPS=1393
bl=2049 pos[1]=[-10.0 0.8 -11.5] dr=1.38 t=22490.0ps kin=1.47 pot=20.31 Rg=6.490 SPS=1373
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.80072145 -3.17792108 -6.29859298] Rg = 6.48959
median bond size is 0.96489394240348
three shortest/longest (<10)/ bonds are [0.87428212 0.88121578 0.88829899] [1.07656289 1.08795632 1.10672073]
95 percentile of distance to center is: 9.275805167108663
density of closest 95% monomers is: 0.385336218967776
density of the core monomers is: 0.688630319618408
min/median/mean/max coordinates are:
x: -23.08, -12.87, -12.80, -3.44
y: -12.80, -3.08, -3.18, 6.67
z: -15.41, -6.23, -6.30, 2.01
Statistics for velocities:
mean kinetic energy is: 1.4747996394843534 should be: 1.5
fastest particles are (in kT): [ 6.66238317 6.75182676 6.83604635 8.06025263 10.12922411]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.31425147492625
bl=2050 pos[1]=[-9.6 -0.4 -10.6] dr=1.36 t=22500.0ps kin=1.50 pot=20.26 Rg=6.515 SPS=1372
bl=2051 pos[1]=[-9.2 1.3 -10.8] dr=1.39 t=22510.0ps kin=1.56 pot=20.27 Rg=6.500 SPS=1394
bl=2052 pos[1]=[-10.1 1.7 -11.4] dr=1.36 t=22520.0ps kin=1.50 pot=20.30 Rg=6.509 SPS=1392
bl=2053 pos[1]=[-10.2 3.4 -11.9] dr=1.41 t=22530.0ps kin=1.55 pot=20.32 Rg=6.561 SPS=1414
bl=2054 pos[1]=[-13.4 1.1 -13.0] dr=1.41 t=22540.0ps kin=1.53 pot=20.30 Rg=6.519 SPS=1407
bl=2055 pos[1]=[-13.7 3.5 -13.1] dr=1.37 t=22550.0ps kin=1.56 pot=20.30 Rg=6.561 SPS=1382
bl=2056 pos[1]=[-14.4 3.8 -11.0] dr=1.35 t=22560.0ps kin=1.44 pot=20.30 Rg=6.547 SPS=1412
bl=2057 pos[1]=[-13.9 3.7 -9.8] dr=1.44 t=22570.0ps kin=1.44 pot=20.28 Rg=6.471 SPS=1348
bl=2058 pos[1]=[-15.2 5.2 -8.2] dr=1.34 t=22580.0ps kin=1.45 pot=20.24 Rg=6.486 SPS=1340
bl=2059 pos[1]=[-15.5 3.2 -10.6] dr=1.28 t=22590.0ps kin=1.52 pot=20.25 Rg=6.512 SPS=1349
bl=2060 pos[1]=[-16.9 1.5 -10.0] dr=1.36 t=22600.0ps kin=1.51 pot=20.28 Rg=6.429 SPS=962
bl=2061 pos[1]=[-17.0 3.1 -8.7] dr=1.35 t=22610.0ps kin=1.48 pot=20.30 Rg=6.492 SPS=831
bl=2062 pos[1]=[-16.9 3.5 -9.2] dr=1.32 t=22620.0ps kin=1.49 pot=20.22 Rg=6.484 SPS=1264
bl=2063 pos[1]=[-17.2 3.9 -9.2] dr=1.35 t=22630.0ps kin=1.51 pot=20.21 Rg=6.521 SPS=1226
bl=2064 pos[1]=[-14.9 2.3 -9.8] dr=1.33 t=22640.0ps kin=1.47 pot=20.26 Rg=6.520 SPS=987
bl=2065 pos[1]=[-12.5 3.1 -8.2] dr=1.31 t=22650.0ps kin=1.47 pot=20.26 Rg=6.565 SPS=1111
bl=2066 pos[1]=[-13.2 3.3 -9.4] dr=1.31 t=22660.0ps kin=1.51 pot=20.22 Rg=6.605 SPS=859
bl=2067 pos[1]=[-13.1 3.3 -8.7] dr=1.31 t=22670.0ps kin=1.48 pot=20.27 Rg=6.540 SPS=1233
bl=2068 pos[1]=[-12.0 2.7 -8.8] dr=1.36 t=22680.0ps kin=1.54 pot=20.24 Rg=6.518 SPS=1382
bl=2069 pos[1]=[-13.1 3.9 -10.4] dr=1.43 t=22690.0ps kin=1.50 pot=20.23 Rg=6.508 SPS=1365
bl=2070 pos[1]=[-12.9 4.2 -10.8] dr=1.30 t=22700.0ps kin=1.53 pot=20.31 Rg=6.522 SPS=1371
bl=2071 pos[1]=[-11.4 6.6 -12.3] dr=1.35 t=22710.0ps kin=1.55 pot=20.27 Rg=6.486 SPS=1327
bl=2072 pos[1]=[-10.6 4.9 -13.5] dr=1.32 t=22720.0ps kin=1.51 pot=20.25 Rg=6.462 SPS=766
bl=2073 pos[1]=[-13.1 4.3 -12.6] dr=1.40 t=22730.0ps kin=1.51 pot=20.23 Rg=6.458 SPS=957
bl=2074 pos[1]=[-13.3 3.4 -11.6] dr=1.31 t=22740.0ps kin=1.47 pot=20.26 Rg=6.599 SPS=1083
bl=2075 pos[1]=[-12.8 3.8 -11.3] dr=1.35 t=22750.0ps kin=1.45 pot=20.20 Rg=6.585 SPS=975
bl=2076 pos[1]=[-10.8 2.0 -10.7] dr=1.35 t=22760.0ps kin=1.53 pot=20.21 Rg=6.544 SPS=988
bl=2077 pos[1]=[-9.7 1.8 -10.8] dr=1.41 t=22770.0ps kin=1.52 pot=20.30 Rg=6.575 SPS=1000
bl=2078 pos[1]=[-11.4 1.5 -10.5] dr=1.35 t=22780.0ps kin=1.45 pot=20.24 Rg=6.590 SPS=1145
bl=2079 pos[1]=[-10.4 3.9 -10.0] dr=1.38 t=22790.0ps kin=1.47 pot=20.31 Rg=6.558 SPS=1407
bl=2080 pos[1]=[-11.2 3.5 -9.5] dr=1.30 t=22800.0ps kin=1.47 pot=20.27 Rg=6.568 SPS=1403
bl=2081 pos[1]=[-11.0 4.4 -9.9] dr=1.36 t=22810.0ps kin=1.50 pot=20.22 Rg=6.461 SPS=1370
bl=2082 pos[1]=[-10.2 4.1 -10.5] dr=1.35 t=22820.0ps kin=1.48 pot=20.24 Rg=6.536 SPS=1353
bl=2083 pos[1]=[-10.3 4.0 -11.2] dr=1.39 t=22830.0ps kin=1.48 pot=20.23 Rg=6.532 SPS=1396
bl=2084 pos[1]=[-10.5 3.4 -9.1] dr=1.39 t=22840.0ps kin=1.57 pot=20.29 Rg=6.528 SPS=1398
bl=2085 pos[1]=[-13.0 4.7 -11.1] dr=1.44 t=22850.0ps kin=1.52 pot=20.24 Rg=6.495 SPS=1406
bl=2086 pos[1]=[-12.9 3.8 -9.0] dr=1.32 t=22860.0ps kin=1.47 pot=20.24 Rg=6.407 SPS=1413
bl=2087 pos[1]=[-13.2 5.9 -10.3] dr=1.29 t=22870.0ps kin=1.53 pot=20.24 Rg=6.418 SPS=1404
bl=2088 pos[1]=[-13.7 6.8 -10.9] dr=1.34 t=22880.0ps kin=1.46 pot=20.27 Rg=6.407 SPS=1391
bl=2089 pos[1]=[-11.5 5.2 -11.7] dr=1.34 t=22890.0ps kin=1.50 pot=20.25 Rg=6.390 SPS=1393
bl=2090 pos[1]=[-13.6 4.8 -12.4] dr=1.34 t=22900.0ps kin=1.51 pot=20.32 Rg=6.442 SPS=1402
bl=2091 pos[1]=[-12.4 4.6 -10.6] dr=1.37 t=22910.0ps kin=1.54 pot=20.23 Rg=6.426 SPS=1375
bl=2092 pos[1]=[-11.3 4.8 -9.1] dr=1.37 t=22920.0ps kin=1.47 pot=20.28 Rg=6.429 SPS=1396
bl=2093 pos[1]=[-10.7 4.7 -9.4] dr=1.36 t=22930.0ps kin=1.51 pot=20.20 Rg=6.464 SPS=1376
bl=2094 pos[1]=[-9.3 4.3 -9.0] dr=1.40 t=22940.0ps kin=1.52 pot=20.27 Rg=6.518 SPS=1400
bl=2095 pos[1]=[-9.7 5.7 -6.4] dr=1.37 t=22950.0ps kin=1.53 pot=20.27 Rg=6.533 SPS=1409
bl=2096 pos[1]=[-10.2 7.9 -8.1] dr=1.34 t=22960.0ps kin=1.54 pot=20.28 Rg=6.531 SPS=1399
bl=2097 pos[1]=[-12.8 6.7 -11.1] dr=1.44 t=22970.0ps kin=1.53 pot=20.29 Rg=6.466 SPS=1370
bl=2098 pos[1]=[-12.7 7.7 -12.4] dr=1.34 t=22980.0ps kin=1.47 pot=20.30 Rg=6.515 SPS=1404
bl=2099 pos[1]=[-13.9 7.9 -14.0] dr=1.39 t=22990.0ps kin=1.49 pot=20.25 Rg=6.490 SPS=1198
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.28821794 -1.89336958 -7.03098111] Rg = 6.4898653
median bond size is 0.9643500170848801
three shortest/longest (<10)/ bonds are [0.88359274 0.8914647 0.89181327] [1.08395043 1.1015016 1.10432597]
95 percentile of distance to center is: 9.197140129361488
density of closest 95% monomers is: 0.39530861123603706
density of the core monomers is: 0.6985589942673746
min/median/mean/max coordinates are:
x: -23.17, -12.13, -12.29, -3.13
y: -10.05, -1.88, -1.89, 7.93
z: -15.02, -7.20, -7.03, 1.16
Statistics for velocities:
mean kinetic energy is: 1.4980739103516632 should be: 1.5
fastest particles are (in kT): [ 6.94950146 7.28989929 7.70495605 9.40046566 10.13685256]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.25115804756637
bl=2100 pos[1]=[-11.8 5.3 -14.4] dr=1.34 t=23000.0ps kin=1.50 pot=20.27 Rg=6.542 SPS=1353
bl=2101 pos[1]=[-10.8 5.1 -11.9] dr=1.33 t=23010.0ps kin=1.49 pot=20.28 Rg=6.583 SPS=749
bl=2102 pos[1]=[-10.9 3.5 -12.4] dr=1.37 t=23020.0ps kin=1.50 pot=20.20 Rg=6.542 SPS=762
bl=2103 pos[1]=[-9.9 4.5 -12.4] dr=1.36 t=23030.0ps kin=1.50 pot=20.17 Rg=6.493 SPS=1053
bl=2104 pos[1]=[-8.4 5.9 -12.1] dr=1.27 t=23040.0ps kin=1.52 pot=20.22 Rg=6.505 SPS=1369
bl=2105 pos[1]=[-7.2 6.4 -10.3] dr=1.32 t=23050.0ps kin=1.51 pot=20.23 Rg=6.544 SPS=1388
bl=2106 pos[1]=[-7.4 7.2 -9.8] dr=1.33 t=23060.0ps kin=1.52 pot=20.20 Rg=6.549 SPS=1411
bl=2107 pos[1]=[-6.2 7.7 -8.3] dr=1.34 t=23070.0ps kin=1.52 pot=20.25 Rg=6.500 SPS=1392
bl=2108 pos[1]=[-5.7 7.9 -9.7] dr=1.32 t=23080.0ps kin=1.56 pot=20.26 Rg=6.575 SPS=1410
bl=2109 pos[1]=[-7.2 7.7 -9.3] dr=1.39 t=23090.0ps kin=1.53 pot=20.28 Rg=6.537 SPS=1383
bl=2110 pos[1]=[-9.4 5.1 -8.7] dr=1.39 t=23100.0ps kin=1.50 pot=20.31 Rg=6.496 SPS=1192
bl=2111 pos[1]=[-8.1 4.5 -10.0] dr=1.35 t=23110.0ps kin=1.54 pot=20.26 Rg=6.482 SPS=873
bl=2112 pos[1]=[-6.6 5.7 -9.1] dr=1.28 t=23120.0ps kin=1.49 pot=20.20 Rg=6.543 SPS=1086
bl=2113 pos[1]=[-8.4 5.4 -8.4] dr=1.39 t=23130.0ps kin=1.51 pot=20.25 Rg=6.528 SPS=1032
bl=2114 pos[1]=[-7.7 6.4 -6.6] dr=1.32 t=23140.0ps kin=1.52 pot=20.24 Rg=6.461 SPS=930
bl=2115 pos[1]=[-8.1 6.5 -6.7] dr=1.32 t=23150.0ps kin=1.47 pot=20.23 Rg=6.518 SPS=978
bl=2116 pos[1]=[-9.0 6.3 -8.6] dr=1.32 t=23160.0ps kin=1.51 pot=20.21 Rg=6.431 SPS=976
bl=2117 pos[1]=[-7.4 6.4 -7.5] dr=1.32 t=23170.0ps kin=1.47 pot=20.24 Rg=6.514 SPS=778
bl=2118 pos[1]=[-7.5 6.2 -7.6] dr=1.34 t=23180.0ps kin=1.45 pot=20.31 Rg=6.669 SPS=803
bl=2119 pos[1]=[-6.3 7.4 -9.4] dr=1.35 t=23190.0ps kin=1.43 pot=20.34 Rg=6.613 SPS=886
bl=2120 pos[1]=[-7.8 5.9 -9.5] dr=1.35 t=23200.0ps kin=1.45 pot=20.28 Rg=6.592 SPS=876
bl=2121 pos[1]=[-7.8 5.5 -9.7] dr=1.33 t=23210.0ps kin=1.49 pot=20.26 Rg=6.603 SPS=761
bl=2122 pos[1]=[-8.3 6.3 -8.8] dr=1.38 t=23220.0ps kin=1.50 pot=20.33 Rg=6.579 SPS=1398
bl=2123 pos[1]=[-6.7 4.2 -9.4] dr=1.34 t=23230.0ps kin=1.48 pot=20.32 Rg=6.477 SPS=1395
bl=2124 pos[1]=[-7.8 4.5 -8.8] dr=1.31 t=23240.0ps kin=1.54 pot=20.27 Rg=6.476 SPS=769
bl=2125 pos[1]=[-9.7 5.8 -7.2] dr=1.36 t=23250.0ps kin=1.43 pot=20.29 Rg=6.564 SPS=890
bl=2126 pos[1]=[-9.8 6.0 -6.0] dr=1.35 t=23260.0ps kin=1.53 pot=20.26 Rg=6.494 SPS=768
bl=2127 pos[1]=[-8.7 6.1 -6.9] dr=1.31 t=23270.0ps kin=1.49 pot=20.27 Rg=6.516 SPS=706
bl=2128 pos[1]=[-7.1 5.4 -8.5] dr=1.33 t=23280.0ps kin=1.47 pot=20.24 Rg=6.602 SPS=1333
bl=2129 pos[1]=[-7.1 4.2 -10.3] dr=1.31 t=23290.0ps kin=1.53 pot=20.24 Rg=6.529 SPS=1093
bl=2130 pos[1]=[-7.3 6.9 -11.1] dr=1.37 t=23300.0ps kin=1.49 pot=20.28 Rg=6.563 SPS=786
bl=2131 pos[1]=[-7.6 6.8 -10.8] dr=1.36 t=23310.0ps kin=1.51 pot=20.23 Rg=6.446 SPS=1392
bl=2132 pos[1]=[-7.3 5.9 -8.6] dr=1.44 t=23320.0ps kin=1.48 pot=20.23 Rg=6.451 SPS=1368
bl=2133 pos[1]=[-4.7 8.4 -7.1] dr=1.36 t=23330.0ps kin=1.48 pot=20.20 Rg=6.481 SPS=801
bl=2134 pos[1]=[-2.9 6.7 -4.7] dr=1.32 t=23340.0ps kin=1.44 pot=20.19 Rg=6.455 SPS=1018
bl=2135 pos[1]=[-1.9 5.8 -5.2] dr=1.30 t=23350.0ps kin=1.50 pot=20.23 Rg=6.471 SPS=783
bl=2136 pos[1]=[-4.3 4.1 -4.4] dr=1.32 t=23360.0ps kin=1.49 pot=20.23 Rg=6.494 SPS=846
bl=2137 pos[1]=[-4.5 4.2 -3.2] dr=1.31 t=23370.0ps kin=1.49 pot=20.20 Rg=6.573 SPS=939
bl=2138 pos[1]=[-7.2 5.1 -2.8] dr=1.40 t=23380.0ps kin=1.55 pot=20.19 Rg=6.417 SPS=1000
bl=2139 pos[1]=[-9.9 9.0 -3.4] dr=1.30 t=23390.0ps kin=1.46 pot=20.24 Rg=6.496 SPS=703
bl=2140 pos[1]=[-11.5 10.6 -4.1] dr=1.31 t=23400.0ps kin=1.48 pot=20.24 Rg=6.558 SPS=1068
bl=2141 pos[1]=[-8.6 9.1 -4.1] dr=1.31 t=23410.0ps kin=1.45 pot=20.23 Rg=6.484 SPS=1081
bl=2142 pos[1]=[-7.2 9.7 -4.3] dr=1.35 t=23420.0ps kin=1.56 pot=20.25 Rg=6.436 SPS=1069
bl=2143 pos[1]=[-6.1 8.1 -6.3] dr=1.35 t=23430.0ps kin=1.44 pot=20.27 Rg=6.447 SPS=827
bl=2144 pos[1]=[-6.4 10.2 -6.3] dr=1.39 t=23440.0ps kin=1.50 pot=20.27 Rg=6.521 SPS=961
bl=2145 pos[1]=[-8.5 8.5 -6.4] dr=1.36 t=23450.0ps kin=1.53 pot=20.32 Rg=6.484 SPS=762
bl=2146 pos[1]=[-9.4 7.1 -5.4] dr=1.34 t=23460.0ps kin=1.53 pot=20.30 Rg=6.456 SPS=1232
bl=2147 pos[1]=[-9.5 7.6 -4.6] dr=1.38 t=23470.0ps kin=1.55 pot=20.23 Rg=6.463 SPS=1385
bl=2148 pos[1]=[-10.4 8.0 -6.3] dr=1.32 t=23480.0ps kin=1.47 pot=20.29 Rg=6.434 SPS=1305
bl=2149 pos[1]=[-8.9 8.4 -6.6] dr=1.35 t=23490.0ps kin=1.58 pot=20.28 Rg=6.482 SPS=1104
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.37990372 -0.52850942 -6.24352752] Rg = 6.481909
median bond size is 0.967691983261218
three shortest/longest (<10)/ bonds are [0.86875051 0.87749458 0.88246557] [1.07273357 1.0779017 1.12043764]
95 percentile of distance to center is: 8.909222359145062
density of closest 95% monomers is: 0.43488586341661317
density of the core monomers is: 0.699035923246028
min/median/mean/max coordinates are:
x: -22.17, -12.31, -12.38, -3.77
y: -10.06, -0.56, -0.53, 8.37
z: -14.43, -6.33, -6.24, 2.77
Statistics for velocities:
mean kinetic energy is: 1.5811532164237236 should be: 1.5
fastest particles are (in kT): [ 6.63380593 7.53133384 7.58902647 7.88355042 12.12795453]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.276374389288346
bl=2150 pos[1]=[-8.7 7.1 -5.3] dr=1.40 t=23500.0ps kin=1.50 pot=20.24 Rg=6.413 SPS=1370
bl=2151 pos[1]=[-7.9 6.5 -5.1] dr=1.30 t=23510.0ps kin=1.54 pot=20.29 Rg=6.435 SPS=1368
bl=2152 pos[1]=[-7.6 5.7 -4.4] dr=1.34 t=23520.0ps kin=1.59 pot=20.24 Rg=6.464 SPS=1361
bl=2153 pos[1]=[-5.9 6.1 -5.4] dr=1.34 t=23530.0ps kin=1.48 pot=20.31 Rg=6.478 SPS=1365
bl=2154 pos[1]=[-6.1 5.3 -7.0] dr=1.35 t=23540.0ps kin=1.50 pot=20.23 Rg=6.444 SPS=1366
bl=2155 pos[1]=[-4.9 6.0 -6.3] dr=1.38 t=23550.0ps kin=1.49 pot=20.28 Rg=6.435 SPS=1301
bl=2156 pos[1]=[-4.7 6.0 -4.7] dr=1.33 t=23560.0ps kin=1.47 pot=20.19 Rg=6.391 SPS=1336
bl=2157 pos[1]=[-5.8 5.1 -5.5] dr=1.35 t=23570.0ps kin=1.47 pot=20.18 Rg=6.494 SPS=1338
bl=2158 pos[1]=[-5.6 7.0 -3.7] dr=1.34 t=23580.0ps kin=1.39 pot=20.28 Rg=6.500 SPS=1315
bl=2159 pos[1]=[-5.8 8.1 -0.7] dr=1.29 t=23590.0ps kin=1.51 pot=20.22 Rg=6.442 SPS=1345
bl=2160 pos[1]=[-3.6 7.7 0.9] dr=1.29 t=23600.0ps kin=1.47 pot=20.25 Rg=6.450 SPS=1333
bl=2161 pos[1]=[-4.4 7.5 0.5] dr=1.31 t=23610.0ps kin=1.53 pot=20.20 Rg=6.456 SPS=1341
bl=2162 pos[1]=[-5.0 7.9 -1.3] dr=1.31 t=23620.0ps kin=1.52 pot=20.22 Rg=6.420 SPS=1336
bl=2163 pos[1]=[-5.9 8.5 -3.3] dr=1.31 t=23630.0ps kin=1.50 pot=20.22 Rg=6.457 SPS=1310
bl=2164 pos[1]=[-5.9 5.0 -5.2] dr=1.31 t=23640.0ps kin=1.44 pot=20.23 Rg=6.490 SPS=1326
bl=2165 pos[1]=[-5.6 7.2 -6.1] dr=1.31 t=23650.0ps kin=1.47 pot=20.22 Rg=6.452 SPS=1348
bl=2166 pos[1]=[-5.8 7.9 -6.8] dr=1.40 t=23660.0ps kin=1.50 pot=20.18 Rg=6.414 SPS=837
bl=2167 pos[1]=[-7.8 8.4 -9.0] dr=1.33 t=23670.0ps kin=1.43 pot=20.21 Rg=6.461 SPS=1146
bl=2168 pos[1]=[-7.7 7.7 -8.5] dr=1.32 t=23680.0ps kin=1.47 pot=20.21 Rg=6.461 SPS=723
bl=2169 pos[1]=[-7.1 8.5 -8.4] dr=1.28 t=23690.0ps kin=1.55 pot=20.26 Rg=6.515 SPS=709
bl=2170 pos[1]=[-7.9 8.2 -9.7] dr=1.34 t=23700.0ps kin=1.50 pot=20.24 Rg=6.550 SPS=740
bl=2171 pos[1]=[-10.2 6.3 -10.0] dr=1.31 t=23710.0ps kin=1.54 pot=20.25 Rg=6.476 SPS=715
bl=2172 pos[1]=[-8.4 6.4 -8.2] dr=1.30 t=23720.0ps kin=1.45 pot=20.19 Rg=6.539 SPS=767
bl=2173 pos[1]=[-8.8 7.5 -8.8] dr=1.35 t=23730.0ps kin=1.45 pot=20.20 Rg=6.509 SPS=895
bl=2174 pos[1]=[-11.6 8.2 -9.3] dr=1.27 t=23740.0ps kin=1.50 pot=20.21 Rg=6.468 SPS=791
bl=2175 pos[1]=[-11.8 8.0 -8.9] dr=1.32 t=23750.0ps kin=1.52 pot=20.19 Rg=6.530 SPS=1018
bl=2176 pos[1]=[-10.8 6.3 -8.6] dr=1.31 t=23760.0ps kin=1.48 pot=20.21 Rg=6.531 SPS=1253
bl=2177 pos[1]=[-9.9 9.3 -11.7] dr=1.32 t=23770.0ps kin=1.50 pot=20.25 Rg=6.550 SPS=1270
bl=2178 pos[1]=[-12.1 8.2 -12.2] dr=1.35 t=23780.0ps kin=1.52 pot=20.21 Rg=6.545 SPS=1353
bl=2179 pos[1]=[-13.2 7.8 -11.4] dr=1.34 t=23790.0ps kin=1.51 pot=20.24 Rg=6.622 SPS=1392
bl=2180 pos[1]=[-13.6 5.9 -10.6] dr=1.37 t=23800.0ps kin=1.57 pot=20.25 Rg=6.736 SPS=1401
bl=2181 pos[1]=[-12.6 7.5 -11.7] dr=1.42 t=23810.0ps kin=1.41 pot=20.30 Rg=6.848 SPS=1434
bl=2182 pos[1]=[-13.0 8.5 -11.9] dr=1.33 t=23820.0ps kin=1.46 pot=20.29 Rg=6.772 SPS=1404
bl=2183 pos[1]=[-12.7 7.6 -12.7] dr=1.35 t=23830.0ps kin=1.50 pot=20.27 Rg=6.638 SPS=1394
bl=2184 pos[1]=[-11.4 6.6 -12.6] dr=1.30 t=23840.0ps kin=1.49 pot=20.24 Rg=6.590 SPS=1383
bl=2185 pos[1]=[-10.8 5.9 -10.4] dr=1.30 t=23850.0ps kin=1.46 pot=20.28 Rg=6.627 SPS=1384
bl=2186 pos[1]=[-11.1 7.6 -11.6] dr=1.37 t=23860.0ps kin=1.51 pot=20.24 Rg=6.493 SPS=1396
bl=2187 pos[1]=[-10.6 7.2 -12.3] dr=1.33 t=23870.0ps kin=1.50 pot=20.26 Rg=6.568 SPS=1388
bl=2188 pos[1]=[-9.9 7.9 -13.7] dr=1.32 t=23880.0ps kin=1.51 pot=20.29 Rg=6.675 SPS=1393
bl=2189 pos[1]=[-11.9 8.3 -12.6] dr=1.37 t=23890.0ps kin=1.54 pot=20.27 Rg=6.626 SPS=1411
bl=2190 pos[1]=[-13.7 5.7 -12.1] dr=1.39 t=23900.0ps kin=1.50 pot=20.21 Rg=6.542 SPS=1396
bl=2191 pos[1]=[-14.8 4.8 -12.1] dr=1.32 t=23910.0ps kin=1.47 pot=20.25 Rg=6.579 SPS=1394
bl=2192 pos[1]=[-11.8 7.0 -10.6] dr=1.38 t=23920.0ps kin=1.59 pot=20.18 Rg=6.503 SPS=1392
bl=2193 pos[1]=[-10.6 6.7 -9.8] dr=1.30 t=23930.0ps kin=1.47 pot=20.20 Rg=6.512 SPS=1325
bl=2194 pos[1]=[-11.3 6.7 -11.8] dr=1.33 t=23940.0ps kin=1.52 pot=20.25 Rg=6.462 SPS=1299
bl=2195 pos[1]=[-13.3 6.5 -12.3] dr=1.41 t=23950.0ps kin=1.54 pot=20.23 Rg=6.479 SPS=1366
bl=2196 pos[1]=[-12.9 4.8 -14.3] dr=1.33 t=23960.0ps kin=1.45 pot=20.22 Rg=6.420 SPS=1323
bl=2197 pos[1]=[-14.0 4.5 -13.6] dr=1.31 t=23970.0ps kin=1.52 pot=20.26 Rg=6.475 SPS=1319
bl=2198 pos[1]=[-12.8 4.6 -12.9] dr=1.33 t=23980.0ps kin=1.48 pot=20.24 Rg=6.486 SPS=1356
bl=2199 pos[1]=[-14.7 4.4 -12.5] dr=1.33 t=23990.0ps kin=1.56 pot=20.15 Rg=6.371 SPS=1335
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.19662533 -0.11813723 -6.00285007] Rg = 6.3714056
median bond size is 0.9639437766781648
three shortest/longest (<10)/ bonds are [0.87091791 0.87947324 0.88494637] [1.09351666 1.10131588 1.10440181]
95 percentile of distance to center is: 8.998539769494496
density of closest 95% monomers is: 0.4220642466850751
density of the core monomers is: 0.7664599513938863
min/median/mean/max coordinates are:
x: -22.47, -12.09, -12.20, -0.77
y: -8.22, -0.20, -0.12, 7.50
z: -15.69, -6.15, -6.00, 3.44
Statistics for velocities:
mean kinetic energy is: 1.5666209600577061 should be: 1.5
fastest particles are (in kT): [7.15149529 7.18322995 7.46881306 7.81148004 8.37190192]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.152035513458703
bl=2200 pos[1]=[-15.9 3.6 -11.4] dr=1.28 t=24000.0ps kin=1.46 pot=20.23 Rg=6.502 SPS=1289
bl=2201 pos[1]=[-16.7 4.6 -12.0] dr=1.38 t=24010.0ps kin=1.54 pot=20.23 Rg=6.411 SPS=1337
bl=2202 pos[1]=[-15.5 5.2 -11.6] dr=1.35 t=24020.0ps kin=1.58 pot=20.22 Rg=6.378 SPS=1217
bl=2203 pos[1]=[-18.1 7.8 -10.1] dr=1.38 t=24030.0ps kin=1.48 pot=20.28 Rg=6.402 SPS=1320
bl=2204 pos[1]=[-18.7 5.4 -8.6] dr=1.35 t=24040.0ps kin=1.59 pot=20.23 Rg=6.419 SPS=1348
bl=2205 pos[1]=[-18.5 6.4 -10.6] dr=1.39 t=24050.0ps kin=1.56 pot=20.21 Rg=6.371 SPS=1357
bl=2206 pos[1]=[-15.5 4.8 -12.9] dr=1.32 t=24060.0ps kin=1.55 pot=20.27 Rg=6.458 SPS=1374
bl=2207 pos[1]=[-18.3 6.2 -10.7] dr=1.35 t=24070.0ps kin=1.53 pot=20.22 Rg=6.414 SPS=1365
bl=2208 pos[1]=[-16.8 3.9 -11.7] dr=1.35 t=24080.0ps kin=1.52 pot=20.28 Rg=6.398 SPS=1360
bl=2209 pos[1]=[-16.7 4.7 -12.8] dr=1.32 t=24090.0ps kin=1.47 pot=20.27 Rg=6.353 SPS=1329
bl=2210 pos[1]=[-17.3 8.3 -10.4] dr=1.38 t=24100.0ps kin=1.55 pot=20.25 Rg=6.375 SPS=1337
bl=2211 pos[1]=[-16.1 8.7 -7.1] dr=1.32 t=24110.0ps kin=1.49 pot=20.25 Rg=6.385 SPS=1318
bl=2212 pos[1]=[-15.1 7.9 -7.6] dr=1.26 t=24120.0ps kin=1.49 pot=20.23 Rg=6.330 SPS=1300
bl=2213 pos[1]=[-15.7 5.7 -8.0] dr=1.26 t=24130.0ps kin=1.50 pot=20.23 Rg=6.417 SPS=1319
bl=2214 pos[1]=[-16.4 4.9 -8.8] dr=1.36 t=24140.0ps kin=1.51 pot=20.23 Rg=6.422 SPS=1314
bl=2215 pos[1]=[-17.2 4.7 -10.7] dr=1.38 t=24150.0ps kin=1.52 pot=20.23 Rg=6.408 SPS=1319
bl=2216 pos[1]=[-18.2 5.1 -10.6] dr=1.37 t=24160.0ps kin=1.49 pot=20.28 Rg=6.381 SPS=1366
bl=2217 pos[1]=[-18.6 3.8 -9.3] dr=1.36 t=24170.0ps kin=1.47 pot=20.31 Rg=6.425 SPS=1340
bl=2218 pos[1]=[-18.7 3.9 -9.4] dr=1.40 t=24180.0ps kin=1.52 pot=20.29 Rg=6.435 SPS=1396
bl=2219 pos[1]=[-18.9 3.7 -10.3] dr=1.39 t=24190.0ps kin=1.50 pot=20.27 Rg=6.427 SPS=1360
bl=2220 pos[1]=[-17.3 4.6 -11.1] dr=1.29 t=24200.0ps kin=1.46 pot=20.21 Rg=6.401 SPS=1337
bl=2221 pos[1]=[-16.7 4.6 -9.6] dr=1.27 t=24210.0ps kin=1.47 pot=20.25 Rg=6.413 SPS=1349
bl=2222 pos[1]=[-16.9 4.7 -9.0] dr=1.34 t=24220.0ps kin=1.47 pot=20.24 Rg=6.468 SPS=1392
bl=2223 pos[1]=[-16.8 5.5 -9.5] dr=1.34 t=24230.0ps kin=1.49 pot=20.20 Rg=6.419 SPS=1403
bl=2224 pos[1]=[-15.7 6.2 -9.6] dr=1.27 t=24240.0ps kin=1.55 pot=20.26 Rg=6.426 SPS=1393
bl=2225 pos[1]=[-14.8 6.2 -9.4] dr=1.33 t=24250.0ps kin=1.50 pot=20.33 Rg=6.418 SPS=1399
bl=2226 pos[1]=[-17.6 6.4 -10.9] dr=1.36 t=24260.0ps kin=1.46 pot=20.27 Rg=6.522 SPS=1397
bl=2227 pos[1]=[-15.3 6.4 -11.1] dr=1.40 t=24270.0ps kin=1.54 pot=20.29 Rg=6.420 SPS=1401
bl=2228 pos[1]=[-15.0 7.2 -11.4] dr=1.34 t=24280.0ps kin=1.48 pot=20.27 Rg=6.475 SPS=1387
bl=2229 pos[1]=[-14.5 5.6 -9.4] dr=1.31 t=24290.0ps kin=1.48 pot=20.26 Rg=6.511 SPS=1384
bl=2230 pos[1]=[-15.6 5.4 -9.6] dr=1.35 t=24300.0ps kin=1.49 pot=20.30 Rg=6.553 SPS=1373
bl=2231 pos[1]=[-14.7 6.1 -10.9] dr=1.29 t=24310.0ps kin=1.43 pot=20.29 Rg=6.488 SPS=1393
bl=2232 pos[1]=[-15.7 6.0 -12.0] dr=1.33 t=24320.0ps kin=1.47 pot=20.31 Rg=6.490 SPS=1285
bl=2233 pos[1]=[-17.1 3.9 -10.8] dr=1.35 t=24330.0ps kin=1.54 pot=20.26 Rg=6.463 SPS=1363
bl=2234 pos[1]=[-17.0 4.2 -10.7] dr=1.34 t=24340.0ps kin=1.51 pot=20.28 Rg=6.432 SPS=1394
bl=2235 pos[1]=[-16.4 5.9 -10.7] dr=1.34 t=24350.0ps kin=1.51 pot=20.31 Rg=6.478 SPS=1393
bl=2236 pos[1]=[-17.3 6.8 -9.1] dr=1.36 t=24360.0ps kin=1.52 pot=20.28 Rg=6.401 SPS=1385
bl=2237 pos[1]=[-17.7 5.0 -11.9] dr=1.35 t=24370.0ps kin=1.50 pot=20.23 Rg=6.418 SPS=1383
bl=2238 pos[1]=[-18.4 6.5 -8.8] dr=1.24 t=24380.0ps kin=1.45 pot=20.22 Rg=6.444 SPS=1363
bl=2239 pos[1]=[-17.8 5.0 -7.1] dr=1.42 t=24390.0ps kin=1.49 pot=20.28 Rg=6.432 SPS=1393
bl=2240 pos[1]=[-16.7 6.6 -6.8] dr=1.41 t=24400.0ps kin=1.52 pot=20.28 Rg=6.455 SPS=1387
bl=2241 pos[1]=[-17.1 7.4 -6.7] dr=1.35 t=24410.0ps kin=1.49 pot=20.34 Rg=6.504 SPS=1390
bl=2242 pos[1]=[-17.9 7.5 -9.4] dr=1.37 t=24420.0ps kin=1.48 pot=20.33 Rg=6.576 SPS=1378
bl=2243 pos[1]=[-15.9 7.3 -9.0] dr=1.37 t=24430.0ps kin=1.48 pot=20.36 Rg=6.586 SPS=1379
bl=2244 pos[1]=[-14.9 10.6 -10.6] dr=1.39 t=24440.0ps kin=1.55 pot=20.25 Rg=6.488 SPS=1412
bl=2245 pos[1]=[-13.6 9.2 -12.4] dr=1.35 t=24450.0ps kin=1.49 pot=20.25 Rg=6.511 SPS=1382
bl=2246 pos[1]=[-12.3 9.1 -10.5] dr=1.38 t=24460.0ps kin=1.50 pot=20.33 Rg=6.538 SPS=1383
bl=2247 pos[1]=[-13.5 7.6 -10.1] dr=1.35 t=24470.0ps kin=1.49 pot=20.26 Rg=6.570 SPS=1404
bl=2248 pos[1]=[-14.4 8.1 -10.0] dr=1.41 t=24480.0ps kin=1.51 pot=20.26 Rg=6.530 SPS=1395
bl=2249 pos[1]=[-15.2 6.9 -14.4] dr=1.26 t=24490.0ps kin=1.52 pot=20.20 Rg=6.518 SPS=1395
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.90142132 0.60230173 -5.65784591] Rg = 6.5184317
median bond size is 0.9660001313252632
three shortest/longest (<10)/ bonds are [0.8851736 0.89153798 0.89188365] [1.0832666 1.09193429 1.09220687]
95 percentile of distance to center is: 9.351085924156745
density of closest 95% monomers is: 0.3761045112654271
density of the core monomers is: 0.6597482636679981
min/median/mean/max coordinates are:
x: -22.74, -13.02, -12.90, -1.82
y: -6.63, 0.12, 0.60, 11.81
z: -14.36, -5.66, -5.66, 3.34
Statistics for velocities:
mean kinetic energy is: 1.5260006909772892 should be: 1.5
fastest particles are (in kT): [6.34510453 6.76192659 6.78027176 7.15442409 8.10949197]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.19838190219395
bl=2250 pos[1]=[-13.6 9.9 -14.0] dr=1.35 t=24500.0ps kin=1.50 pot=20.30 Rg=6.587 SPS=1394
bl=2251 pos[1]=[-11.4 9.8 -13.6] dr=1.38 t=24510.0ps kin=1.52 pot=20.29 Rg=6.501 SPS=1390
bl=2252 pos[1]=[-11.3 9.2 -12.6] dr=1.37 t=24520.0ps kin=1.52 pot=20.26 Rg=6.520 SPS=1380
bl=2253 pos[1]=[-10.1 10.0 -11.7] dr=1.40 t=24530.0ps kin=1.56 pot=20.22 Rg=6.470 SPS=1388
bl=2254 pos[1]=[-12.3 9.1 -14.7] dr=1.31 t=24540.0ps kin=1.50 pot=20.20 Rg=6.409 SPS=1292
bl=2255 pos[1]=[-12.5 7.6 -12.2] dr=1.31 t=24550.0ps kin=1.49 pot=20.20 Rg=6.445 SPS=1362
bl=2256 pos[1]=[-10.1 6.5 -13.6] dr=1.35 t=24560.0ps kin=1.51 pot=20.20 Rg=6.483 SPS=1376
bl=2257 pos[1]=[-10.0 6.4 -12.2] dr=1.39 t=24570.0ps kin=1.52 pot=20.28 Rg=6.421 SPS=1407
bl=2258 pos[1]=[-12.3 6.0 -13.8] dr=1.43 t=24580.0ps kin=1.49 pot=20.24 Rg=6.452 SPS=1386
bl=2259 pos[1]=[-13.1 7.2 -13.2] dr=1.24 t=24590.0ps kin=1.46 pot=20.24 Rg=6.416 SPS=1404
bl=2260 pos[1]=[-13.3 7.7 -12.2] dr=1.34 t=24600.0ps kin=1.49 pot=20.19 Rg=6.366 SPS=1348
bl=2261 pos[1]=[-17.1 6.5 -12.1] dr=1.33 t=24610.0ps kin=1.51 pot=20.20 Rg=6.371 SPS=1311
bl=2262 pos[1]=[-14.6 3.6 -11.7] dr=1.32 t=24620.0ps kin=1.51 pot=20.21 Rg=6.417 SPS=1308
bl=2263 pos[1]=[-14.7 3.4 -10.8] dr=1.39 t=24630.0ps kin=1.50 pot=20.23 Rg=6.381 SPS=1300
bl=2264 pos[1]=[-14.7 3.8 -10.2] dr=1.39 t=24640.0ps kin=1.50 pot=20.27 Rg=6.387 SPS=1250
bl=2265 pos[1]=[-13.9 4.2 -9.9] dr=1.38 t=24650.0ps kin=1.54 pot=20.21 Rg=6.380 SPS=1341
bl=2266 pos[1]=[-14.6 3.0 -9.2] dr=1.36 t=24660.0ps kin=1.53 pot=20.25 Rg=6.433 SPS=1378
bl=2267 pos[1]=[-15.4 1.8 -9.7] dr=1.33 t=24670.0ps kin=1.50 pot=20.32 Rg=6.413 SPS=1366
bl=2268 pos[1]=[-16.0 1.3 -9.4] dr=1.33 t=24680.0ps kin=1.46 pot=20.32 Rg=6.508 SPS=1405
bl=2269 pos[1]=[-17.2 1.5 -10.3] dr=1.34 t=24690.0ps kin=1.51 pot=20.24 Rg=6.508 SPS=1400
bl=2270 pos[1]=[-16.6 3.8 -9.8] dr=1.42 t=24700.0ps kin=1.49 pot=20.28 Rg=6.543 SPS=1403
bl=2271 pos[1]=[-16.0 4.8 -9.6] dr=1.37 t=24710.0ps kin=1.47 pot=20.24 Rg=6.560 SPS=1374
bl=2272 pos[1]=[-17.0 4.6 -8.8] dr=1.37 t=24720.0ps kin=1.51 pot=20.24 Rg=6.510 SPS=1386
bl=2273 pos[1]=[-17.5 2.6 -8.9] dr=1.33 t=24730.0ps kin=1.48 pot=20.22 Rg=6.484 SPS=1379
bl=2274 pos[1]=[-18.7 2.4 -9.6] dr=1.32 t=24740.0ps kin=1.50 pot=20.30 Rg=6.515 SPS=1399
bl=2275 pos[1]=[-17.2 2.3 -8.8] dr=1.39 t=24750.0ps kin=1.49 pot=20.35 Rg=6.476 SPS=1401
bl=2276 pos[1]=[-17.3 3.1 -9.3] dr=1.38 t=24760.0ps kin=1.46 pot=20.31 Rg=6.533 SPS=1397
bl=2277 pos[1]=[-16.6 2.9 -9.8] dr=1.39 t=24770.0ps kin=1.57 pot=20.29 Rg=6.480 SPS=1413
bl=2278 pos[1]=[-18.9 4.3 -8.5] dr=1.34 t=24780.0ps kin=1.50 pot=20.25 Rg=6.421 SPS=1392
bl=2279 pos[1]=[-19.6 3.9 -8.4] dr=1.37 t=24790.0ps kin=1.50 pot=20.31 Rg=6.483 SPS=1388
bl=2280 pos[1]=[-18.4 5.8 -9.7] dr=1.34 t=24800.0ps kin=1.51 pot=20.24 Rg=6.504 SPS=1403
bl=2281 pos[1]=[-17.6 4.7 -9.6] dr=1.38 t=24810.0ps kin=1.48 pot=20.26 Rg=6.561 SPS=1395
bl=2282 pos[1]=[-17.3 4.2 -10.1] dr=1.34 t=24820.0ps kin=1.55 pot=20.24 Rg=6.563 SPS=1413
bl=2283 pos[1]=[-17.5 5.8 -10.0] dr=1.37 t=24830.0ps kin=1.46 pot=20.26 Rg=6.531 SPS=1394
bl=2284 pos[1]=[-16.5 5.9 -9.3] dr=1.36 t=24840.0ps kin=1.55 pot=20.23 Rg=6.411 SPS=1411
bl=2285 pos[1]=[-17.3 6.5 -8.3] dr=1.37 t=24850.0ps kin=1.48 pot=20.23 Rg=6.497 SPS=1347
bl=2286 pos[1]=[-17.5 6.7 -7.8] dr=1.35 t=24860.0ps kin=1.49 pot=20.24 Rg=6.474 SPS=1401
bl=2287 pos[1]=[-17.5 7.5 -8.4] dr=1.30 t=24870.0ps kin=1.48 pot=20.22 Rg=6.382 SPS=1386
bl=2288 pos[1]=[-19.4 7.5 -8.5] dr=1.29 t=24880.0ps kin=1.49 pot=20.31 Rg=6.477 SPS=1414
bl=2289 pos[1]=[-20.5 7.9 -7.1] dr=1.38 t=24890.0ps kin=1.52 pot=20.30 Rg=6.440 SPS=1371
bl=2290 pos[1]=[-19.2 7.6 -7.8] dr=1.34 t=24900.0ps kin=1.52 pot=20.29 Rg=6.454 SPS=1384
bl=2291 pos[1]=[-21.4 6.1 -6.1] dr=1.34 t=24910.0ps kin=1.50 pot=20.25 Rg=6.436 SPS=1398
bl=2292 pos[1]=[-20.7 4.6 -5.1] dr=1.31 t=24920.0ps kin=1.49 pot=20.24 Rg=6.378 SPS=1353
bl=2293 pos[1]=[-20.4 2.9 -6.2] dr=1.33 t=24930.0ps kin=1.50 pot=20.29 Rg=6.361 SPS=1312
bl=2294 pos[1]=[-19.5 3.0 -7.4] dr=1.33 t=24940.0ps kin=1.54 pot=20.21 Rg=6.343 SPS=1188
bl=2295 pos[1]=[-20.3 2.8 -9.3] dr=1.34 t=24950.0ps kin=1.51 pot=20.30 Rg=6.401 SPS=1337
bl=2296 pos[1]=[-20.3 3.4 -9.3] dr=1.33 t=24960.0ps kin=1.50 pot=20.21 Rg=6.387 SPS=1336
bl=2297 pos[1]=[-17.8 3.0 -8.7] dr=1.30 t=24970.0ps kin=1.46 pot=20.20 Rg=6.428 SPS=1315
bl=2298 pos[1]=[-18.0 2.7 -7.7] dr=1.31 t=24980.0ps kin=1.48 pot=20.21 Rg=6.502 SPS=1373
bl=2299 pos[1]=[-15.7 3.1 -7.8] dr=1.35 t=24990.0ps kin=1.46 pot=20.20 Rg=6.477 SPS=1386
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.90923343 0.08053362 -4.82005447] Rg = 6.4771805
median bond size is 0.9665607876495117
three shortest/longest (<10)/ bonds are [0.88295973 0.88313738 0.8834652 ] [1.07660479 1.08092056 1.09081244]
95 percentile of distance to center is: 9.171119554227921
density of closest 95% monomers is: 0.3986829111194952
density of the core monomers is: 0.7058279966135
min/median/mean/max coordinates are:
x: -22.88, -12.80, -12.91, -4.47
y: -9.59, -0.08, 0.08, 10.51
z: -11.74, -4.94, -4.82, 3.16
Statistics for velocities:
mean kinetic energy is: 1.4645527628377315 should be: 1.5
fastest particles are (in kT): [6.43818466 6.93238992 8.46378452 9.33651152 9.49698572]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.195139657079647
bl=2300 pos[1]=[-14.2 3.1 -7.7] dr=1.32 t=25000.0ps kin=1.57 pot=20.17 Rg=6.512 SPS=1362
bl=2301 pos[1]=[-14.4 2.7 -7.8] dr=1.36 t=25010.0ps kin=1.53 pot=20.21 Rg=6.544 SPS=1411
bl=2302 pos[1]=[-16.4 2.9 -6.9] dr=1.39 t=25020.0ps kin=1.51 pot=20.22 Rg=6.420 SPS=1408
bl=2303 pos[1]=[-16.6 3.9 -7.2] dr=1.31 t=25030.0ps kin=1.48 pot=20.24 Rg=6.457 SPS=1345
bl=2304 pos[1]=[-16.2 2.8 -7.3] dr=1.34 t=25040.0ps kin=1.47 pot=20.28 Rg=6.562 SPS=1398
bl=2305 pos[1]=[-16.6 2.9 -7.4] dr=1.27 t=25050.0ps kin=1.50 pot=20.29 Rg=6.570 SPS=1395
bl=2306 pos[1]=[-15.7 3.4 -8.1] dr=1.35 t=25060.0ps kin=1.46 pot=20.25 Rg=6.566 SPS=1362
bl=2307 pos[1]=[-15.2 3.0 -7.2] dr=1.39 t=25070.0ps kin=1.51 pot=20.22 Rg=6.481 SPS=1270
bl=2308 pos[1]=[-15.1 3.9 -8.2] dr=1.27 t=25080.0ps kin=1.50 pot=20.22 Rg=6.405 SPS=1358
bl=2309 pos[1]=[-17.8 3.4 -6.8] dr=1.38 t=25090.0ps kin=1.50 pot=20.21 Rg=6.412 SPS=1337
bl=2310 pos[1]=[-16.3 5.0 -8.0] dr=1.32 t=25100.0ps kin=1.50 pot=20.27 Rg=6.427 SPS=1385
bl=2311 pos[1]=[-15.9 4.8 -8.5] dr=1.35 t=25110.0ps kin=1.51 pot=20.33 Rg=6.420 SPS=1388
bl=2312 pos[1]=[-15.3 3.5 -8.4] dr=1.39 t=25120.0ps kin=1.51 pot=20.26 Rg=6.343 SPS=1337
bl=2313 pos[1]=[-16.2 5.1 -8.2] dr=1.36 t=25130.0ps kin=1.53 pot=20.24 Rg=6.300 SPS=1319
bl=2314 pos[1]=[-16.4 4.2 -7.6] dr=1.28 t=25140.0ps kin=1.53 pot=20.18 Rg=6.286 SPS=1349
bl=2315 pos[1]=[-16.0 4.8 -8.2] dr=1.30 t=25150.0ps kin=1.50 pot=20.18 Rg=6.379 SPS=1325
bl=2316 pos[1]=[-17.3 3.9 -7.3] dr=1.35 t=25160.0ps kin=1.47 pot=20.15 Rg=6.357 SPS=1293
bl=2317 pos[1]=[-17.5 2.9 -6.9] dr=1.32 t=25170.0ps kin=1.49 pot=20.16 Rg=6.337 SPS=1319
bl=2318 pos[1]=[-17.3 2.2 -6.9] dr=1.30 t=25180.0ps kin=1.49 pot=20.15 Rg=6.368 SPS=1311
bl=2319 pos[1]=[-17.0 2.9 -6.3] dr=1.30 t=25190.0ps kin=1.52 pot=20.19 Rg=6.353 SPS=1319
bl=2320 pos[1]=[-19.7 1.3 -7.5] dr=1.34 t=25200.0ps kin=1.48 pot=20.24 Rg=6.451 SPS=1335
bl=2321 pos[1]=[-19.8 1.2 -6.6] dr=1.35 t=25210.0ps kin=1.55 pot=20.23 Rg=6.450 SPS=1369
bl=2322 pos[1]=[-19.7 1.8 -7.0] dr=1.36 t=25220.0ps kin=1.47 pot=20.30 Rg=6.497 SPS=1333
bl=2323 pos[1]=[-19.1 3.2 -7.1] dr=1.34 t=25230.0ps kin=1.46 pot=20.31 Rg=6.540 SPS=1388
bl=2324 pos[1]=[-20.2 5.1 -5.9] dr=1.35 t=25240.0ps kin=1.48 pot=20.30 Rg=6.547 SPS=1286
bl=2325 pos[1]=[-19.5 7.1 -4.9] dr=1.31 t=25250.0ps kin=1.50 pot=20.25 Rg=6.450 SPS=1357
bl=2326 pos[1]=[-18.8 8.9 -6.7] dr=1.32 t=25260.0ps kin=1.55 pot=20.23 Rg=6.419 SPS=1316
bl=2327 pos[1]=[-16.9 11.6 -9.7] dr=1.36 t=25270.0ps kin=1.52 pot=20.26 Rg=6.484 SPS=1355
bl=2328 pos[1]=[-17.1 10.3 -10.2] dr=1.36 t=25280.0ps kin=1.52 pot=20.27 Rg=6.497 SPS=1413
bl=2329 pos[1]=[-19.0 13.0 -8.2] dr=1.39 t=25290.0ps kin=1.53 pot=20.24 Rg=6.531 SPS=1388
bl=2330 pos[1]=[-19.1 11.5 -10.9] dr=1.27 t=25300.0ps kin=1.53 pot=20.23 Rg=6.536 SPS=1388
bl=2331 pos[1]=[-16.3 12.1 -11.8] dr=1.35 t=25310.0ps kin=1.53 pot=20.18 Rg=6.493 SPS=1404
bl=2332 pos[1]=[-14.3 11.7 -8.3] dr=1.29 t=25320.0ps kin=1.49 pot=20.20 Rg=6.469 SPS=1392
bl=2333 pos[1]=[-13.6 12.4 -8.0] dr=1.29 t=25330.0ps kin=1.48 pot=20.20 Rg=6.444 SPS=1396
bl=2334 pos[1]=[-11.0 12.2 -6.6] dr=1.37 t=25340.0ps kin=1.50 pot=20.18 Rg=6.425 SPS=1347
bl=2335 pos[1]=[-13.1 11.7 -7.8] dr=1.35 t=25350.0ps kin=1.55 pot=20.22 Rg=6.462 SPS=1361
bl=2336 pos[1]=[-13.2 11.4 -5.1] dr=1.33 t=25360.0ps kin=1.55 pot=20.24 Rg=6.463 SPS=1403
bl=2337 pos[1]=[-14.6 9.3 -7.6] dr=1.35 t=25370.0ps kin=1.54 pot=20.21 Rg=6.396 SPS=1379
bl=2338 pos[1]=[-13.1 7.5 -7.0] dr=1.33 t=25380.0ps kin=1.49 pot=20.30 Rg=6.427 SPS=1393
bl=2339 pos[1]=[-12.7 8.1 -6.3] dr=1.30 t=25390.0ps kin=1.48 pot=20.28 Rg=6.427 SPS=1395
bl=2340 pos[1]=[-12.1 8.2 -6.3] dr=1.33 t=25400.0ps kin=1.54 pot=20.23 Rg=6.467 SPS=1394
bl=2341 pos[1]=[-13.5 10.7 -4.3] dr=1.38 t=25410.0ps kin=1.48 pot=20.25 Rg=6.430 SPS=1421
bl=2342 pos[1]=[-15.3 11.6 -5.0] dr=1.40 t=25420.0ps kin=1.47 pot=20.20 Rg=6.450 SPS=1362
bl=2343 pos[1]=[-17.2 12.8 -4.6] dr=1.29 t=25430.0ps kin=1.57 pot=20.20 Rg=6.489 SPS=1376
bl=2344 pos[1]=[-14.8 9.8 -4.8] dr=1.33 t=25440.0ps kin=1.50 pot=20.29 Rg=6.500 SPS=1417
bl=2345 pos[1]=[-15.0 8.5 -7.3] dr=1.38 t=25450.0ps kin=1.50 pot=20.30 Rg=6.493 SPS=1393
bl=2346 pos[1]=[-13.7 10.0 -8.0] dr=1.40 t=25460.0ps kin=1.54 pot=20.22 Rg=6.497 SPS=1374
bl=2347 pos[1]=[-15.0 8.3 -7.6] dr=1.38 t=25470.0ps kin=1.50 pot=20.23 Rg=6.517 SPS=1390
bl=2348 pos[1]=[-16.3 7.9 -8.4] dr=1.35 t=25480.0ps kin=1.55 pot=20.23 Rg=6.541 SPS=1351
bl=2349 pos[1]=[-16.2 7.3 -7.4] dr=1.33 t=25490.0ps kin=1.54 pot=20.26 Rg=6.669 SPS=1397
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.61636668 0.69957686 -4.94987898] Rg = 6.669148
median bond size is 0.9631768020106468
three shortest/longest (<10)/ bonds are [0.87955581 0.88279393 0.88735354] [1.06745224 1.08313131 1.09886515]
95 percentile of distance to center is: 9.41364747351612
density of closest 95% monomers is: 0.36865564947935425
density of the core monomers is: 0.6738715198520948
min/median/mean/max coordinates are:
x: -23.08, -12.50, -12.62, -1.08
y: -9.10, 0.47, 0.70, 12.56
z: -12.72, -5.14, -4.95, 2.80
Statistics for velocities:
mean kinetic energy is: 1.5396233847009646 should be: 1.5
fastest particles are (in kT): [6.5158032 6.70571573 7.16575946 8.11040559 9.19587364]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.256818653207965
bl=2350 pos[1]=[-17.0 7.0 -6.9] dr=1.35 t=25500.0ps kin=1.57 pot=20.24 Rg=6.576 SPS=1398
bl=2351 pos[1]=[-17.0 8.1 -7.6] dr=1.32 t=25510.0ps kin=1.51 pot=20.27 Rg=6.568 SPS=1355
bl=2352 pos[1]=[-18.9 8.5 -6.8] dr=1.36 t=25520.0ps kin=1.46 pot=20.25 Rg=6.583 SPS=1362
bl=2353 pos[1]=[-18.4 7.5 -8.1] dr=1.30 t=25530.0ps kin=1.53 pot=20.24 Rg=6.556 SPS=1413
bl=2354 pos[1]=[-17.4 7.2 -7.9] dr=1.44 t=25540.0ps kin=1.59 pot=20.26 Rg=6.597 SPS=1394
bl=2355 pos[1]=[-16.6 6.8 -8.9] dr=1.39 t=25550.0ps kin=1.54 pot=20.26 Rg=6.609 SPS=1248
bl=2356 pos[1]=[-16.8 6.9 -9.1] dr=1.30 t=25560.0ps kin=1.53 pot=20.27 Rg=6.548 SPS=1380
bl=2357 pos[1]=[-16.1 7.2 -9.9] dr=1.35 t=25570.0ps kin=1.50 pot=20.25 Rg=6.533 SPS=1394
bl=2358 pos[1]=[-17.2 7.8 -8.9] dr=1.33 t=25580.0ps kin=1.55 pot=20.19 Rg=6.513 SPS=1392
bl=2359 pos[1]=[-17.0 9.5 -6.5] dr=1.38 t=25590.0ps kin=1.51 pot=20.28 Rg=6.572 SPS=1387
bl=2360 pos[1]=[-17.6 9.6 -7.0] dr=1.37 t=25600.0ps kin=1.47 pot=20.30 Rg=6.568 SPS=1403
bl=2361 pos[1]=[-17.8 11.6 -6.9] dr=1.34 t=25610.0ps kin=1.47 pot=20.24 Rg=6.537 SPS=1368
bl=2362 pos[1]=[-15.6 10.8 -8.9] dr=1.32 t=25620.0ps kin=1.47 pot=20.23 Rg=6.490 SPS=1389
bl=2363 pos[1]=[-14.4 9.5 -9.7] dr=1.38 t=25630.0ps kin=1.52 pot=20.26 Rg=6.527 SPS=1402
bl=2364 pos[1]=[-13.6 8.2 -8.5] dr=1.29 t=25640.0ps kin=1.47 pot=20.22 Rg=6.432 SPS=1378
bl=2365 pos[1]=[-13.8 9.3 -7.9] dr=1.33 t=25650.0ps kin=1.50 pot=20.23 Rg=6.401 SPS=1369
bl=2366 pos[1]=[-13.8 8.1 -7.1] dr=1.34 t=25660.0ps kin=1.46 pot=20.21 Rg=6.450 SPS=1396
bl=2367 pos[1]=[-13.5 9.5 -8.3] dr=1.31 t=25670.0ps kin=1.50 pot=20.26 Rg=6.455 SPS=1392
bl=2368 pos[1]=[-13.0 10.4 -7.1] dr=1.31 t=25680.0ps kin=1.49 pot=20.23 Rg=6.507 SPS=1384
bl=2369 pos[1]=[-14.3 11.7 -5.0] dr=1.35 t=25690.0ps kin=1.51 pot=20.25 Rg=6.550 SPS=1360
bl=2370 pos[1]=[-14.2 10.9 -8.1] dr=1.41 t=25700.0ps kin=1.53 pot=20.22 Rg=6.501 SPS=1385
bl=2371 pos[1]=[-17.2 12.1 -9.0] dr=1.38 t=25710.0ps kin=1.56 pot=20.23 Rg=6.523 SPS=1384
bl=2372 pos[1]=[-18.0 12.2 -6.5] dr=1.34 t=25720.0ps kin=1.46 pot=20.35 Rg=6.636 SPS=1385
bl=2373 pos[1]=[-15.1 11.1 -6.9] dr=1.36 t=25730.0ps kin=1.50 pot=20.33 Rg=6.573 SPS=1401
bl=2374 pos[1]=[-13.9 11.5 -6.7] dr=1.37 t=25740.0ps kin=1.52 pot=20.34 Rg=6.539 SPS=1388
bl=2375 pos[1]=[-15.4 9.9 -5.6] dr=1.34 t=25750.0ps kin=1.47 pot=20.24 Rg=6.496 SPS=1390
bl=2376 pos[1]=[-17.3 10.5 -3.2] dr=1.33 t=25760.0ps kin=1.50 pot=20.20 Rg=6.537 SPS=1404
bl=2377 pos[1]=[-17.3 11.9 -3.4] dr=1.34 t=25770.0ps kin=1.50 pot=20.22 Rg=6.522 SPS=1403
bl=2378 pos[1]=[-18.1 12.3 -3.8] dr=1.33 t=25780.0ps kin=1.46 pot=20.21 Rg=6.545 SPS=1388
bl=2379 pos[1]=[-18.8 10.9 -5.1] dr=1.34 t=25790.0ps kin=1.52 pot=20.24 Rg=6.479 SPS=1381
bl=2380 pos[1]=[-19.3 10.6 -5.2] dr=1.37 t=25800.0ps kin=1.49 pot=20.30 Rg=6.469 SPS=1423
bl=2381 pos[1]=[-17.3 8.7 -8.0] dr=1.37 t=25810.0ps kin=1.53 pot=20.26 Rg=6.407 SPS=1429
bl=2382 pos[1]=[-18.7 5.3 -5.8] dr=1.37 t=25820.0ps kin=1.57 pot=20.25 Rg=6.345 SPS=1412
bl=2383 pos[1]=[-18.2 5.2 -5.8] dr=1.33 t=25830.0ps kin=1.57 pot=20.21 Rg=6.400 SPS=1442
bl=2384 pos[1]=[-18.0 5.8 -4.4] dr=1.42 t=25840.0ps kin=1.52 pot=20.25 Rg=6.464 SPS=1422
bl=2385 pos[1]=[-19.3 4.7 -3.8] dr=1.35 t=25850.0ps kin=1.50 pot=20.26 Rg=6.362 SPS=1308
bl=2386 pos[1]=[-19.1 5.3 -3.2] dr=1.36 t=25860.0ps kin=1.45 pot=20.18 Rg=6.443 SPS=1447
bl=2387 pos[1]=[-18.5 4.5 -3.6] dr=1.32 t=25870.0ps kin=1.47 pot=20.17 Rg=6.532 SPS=1416
bl=2388 pos[1]=[-18.6 3.1 -3.3] dr=1.36 t=25880.0ps kin=1.45 pot=20.23 Rg=6.453 SPS=1425
bl=2389 pos[1]=[-18.0 2.9 -3.4] dr=1.35 t=25890.0ps kin=1.47 pot=20.30 Rg=6.521 SPS=1435
bl=2390 pos[1]=[-15.6 1.5 -3.7] dr=1.36 t=25900.0ps kin=1.54 pot=20.23 Rg=6.383 SPS=1415
bl=2391 pos[1]=[-15.6 1.2 -4.0] dr=1.37 t=25910.0ps kin=1.61 pot=20.29 Rg=6.490 SPS=1405
bl=2392 pos[1]=[-15.8 0.6 -4.6] dr=1.31 t=25920.0ps kin=1.59 pot=20.28 Rg=6.544 SPS=1405
bl=2393 pos[1]=[-18.0 2.2 -7.1] dr=1.42 t=25930.0ps kin=1.56 pot=20.26 Rg=6.568 SPS=1376
bl=2394 pos[1]=[-17.3 1.2 -6.8] dr=1.34 t=25940.0ps kin=1.51 pot=20.25 Rg=6.511 SPS=1390
bl=2395 pos[1]=[-16.7 1.3 -6.7] dr=1.35 t=25950.0ps kin=1.50 pot=20.25 Rg=6.485 SPS=1381
bl=2396 pos[1]=[-16.6 0.5 -6.7] dr=1.30 t=25960.0ps kin=1.47 pot=20.21 Rg=6.497 SPS=1418
bl=2397 pos[1]=[-16.7 0.9 -4.8] dr=1.32 t=25970.0ps kin=1.47 pot=20.16 Rg=6.535 SPS=1410
bl=2398 pos[1]=[-17.1 2.1 -5.3] dr=1.36 t=25980.0ps kin=1.50 pot=20.22 Rg=6.527 SPS=1415
bl=2399 pos[1]=[-18.1 3.5 -5.1] dr=1.30 t=25990.0ps kin=1.49 pot=20.18 Rg=6.521 SPS=1400
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.66442498 1.95898827 -4.51433024] Rg = 6.520609
median bond size is 0.9644239127421397
three shortest/longest (<10)/ bonds are [0.88837749 0.8900255 0.8918686 ] [1.07249363 1.08209046 1.09486584]
95 percentile of distance to center is: 9.386298793564004
density of closest 95% monomers is: 0.3718874825703208
density of the core monomers is: 0.7167587676949514
min/median/mean/max coordinates are:
x: -21.63, -12.62, -12.66, -3.42
y: -7.43, 1.78, 1.96, 11.90
z: -12.03, -4.61, -4.51, 3.13
Statistics for velocities:
mean kinetic energy is: 1.494194248584475 should be: 1.5
fastest particles are (in kT): [6.27594027 6.5243557 6.68627284 6.81143177 7.39059066]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.18205256729351
bl=2400 pos[1]=[-18.8 3.4 -4.8] dr=1.38 t=26000.0ps kin=1.55 pot=20.18 Rg=6.487 SPS=1398
bl=2401 pos[1]=[-19.4 4.8 -4.0] dr=1.38 t=26010.0ps kin=1.49 pot=20.27 Rg=6.491 SPS=1409
bl=2402 pos[1]=[-18.3 4.2 -5.3] dr=1.37 t=26020.0ps kin=1.48 pot=20.22 Rg=6.501 SPS=1407
bl=2403 pos[1]=[-18.1 4.5 -4.8] dr=1.38 t=26030.0ps kin=1.47 pot=20.25 Rg=6.447 SPS=1418
bl=2404 pos[1]=[-17.4 4.5 -6.3] dr=1.33 t=26040.0ps kin=1.50 pot=20.26 Rg=6.480 SPS=1386
bl=2405 pos[1]=[-18.1 4.9 -6.5] dr=1.39 t=26050.0ps kin=1.51 pot=20.27 Rg=6.487 SPS=1401
bl=2406 pos[1]=[-19.4 6.0 -5.2] dr=1.37 t=26060.0ps kin=1.52 pot=20.24 Rg=6.523 SPS=1410
bl=2407 pos[1]=[-21.5 5.9 -5.1] dr=1.36 t=26070.0ps kin=1.54 pot=20.25 Rg=6.563 SPS=1393
bl=2408 pos[1]=[-19.3 7.7 -3.4] dr=1.38 t=26080.0ps kin=1.52 pot=20.27 Rg=6.566 SPS=1404
bl=2409 pos[1]=[-19.9 8.0 -2.7] dr=1.33 t=26090.0ps kin=1.52 pot=20.28 Rg=6.514 SPS=1402
bl=2410 pos[1]=[-20.9 8.0 -2.6] dr=1.34 t=26100.0ps kin=1.51 pot=20.28 Rg=6.639 SPS=1395
bl=2411 pos[1]=[-20.6 8.9 -3.9] dr=1.42 t=26110.0ps kin=1.53 pot=20.25 Rg=6.615 SPS=1397
bl=2412 pos[1]=[-18.1 8.7 -3.9] dr=1.36 t=26120.0ps kin=1.54 pot=20.23 Rg=6.529 SPS=1380
bl=2413 pos[1]=[-17.6 10.1 -6.3] dr=1.37 t=26130.0ps kin=1.54 pot=20.23 Rg=6.526 SPS=1396
bl=2414 pos[1]=[-16.7 8.4 -7.7] dr=1.30 t=26140.0ps kin=1.48 pot=20.19 Rg=6.567 SPS=1385
bl=2415 pos[1]=[-15.5 7.3 -5.7] dr=1.34 t=26150.0ps kin=1.49 pot=20.17 Rg=6.563 SPS=1401
bl=2416 pos[1]=[-14.4 8.5 -6.6] dr=1.33 t=26160.0ps kin=1.51 pot=20.24 Rg=6.512 SPS=1269
bl=2417 pos[1]=[-14.3 7.9 -6.5] dr=1.33 t=26170.0ps kin=1.53 pot=20.25 Rg=6.504 SPS=1403
bl=2418 pos[1]=[-15.5 8.1 -6.9] dr=1.35 t=26180.0ps kin=1.51 pot=20.20 Rg=6.455 SPS=1381
bl=2419 pos[1]=[-14.7 8.4 -7.5] dr=1.31 t=26190.0ps kin=1.54 pot=20.17 Rg=6.394 SPS=1394
bl=2420 pos[1]=[-13.8 7.2 -10.6] dr=1.29 t=26200.0ps kin=1.47 pot=20.20 Rg=6.476 SPS=1413
bl=2421 pos[1]=[-15.3 5.4 -11.8] dr=1.31 t=26210.0ps kin=1.50 pot=20.22 Rg=6.504 SPS=1399
bl=2422 pos[1]=[-15.8 3.7 -9.9] dr=1.37 t=26220.0ps kin=1.55 pot=20.28 Rg=6.555 SPS=1394
bl=2423 pos[1]=[-14.7 3.7 -9.7] dr=1.32 t=26230.0ps kin=1.49 pot=20.26 Rg=6.494 SPS=1385
bl=2424 pos[1]=[-15.2 3.9 -9.1] dr=1.34 t=26240.0ps kin=1.45 pot=20.26 Rg=6.467 SPS=1341
bl=2425 pos[1]=[-15.2 4.4 -9.0] dr=1.30 t=26250.0ps kin=1.48 pot=20.27 Rg=6.478 SPS=1363
bl=2426 pos[1]=[-15.9 3.4 -9.5] dr=1.37 t=26260.0ps kin=1.51 pot=20.22 Rg=6.500 SPS=1377
bl=2427 pos[1]=[-16.2 3.3 -9.9] dr=1.30 t=26270.0ps kin=1.51 pot=20.21 Rg=6.496 SPS=1389
bl=2428 pos[1]=[-18.0 3.8 -8.9] dr=1.33 t=26280.0ps kin=1.49 pot=20.28 Rg=6.490 SPS=1374
bl=2429 pos[1]=[-16.4 4.3 -9.9] dr=1.35 t=26290.0ps kin=1.53 pot=20.19 Rg=6.512 SPS=1383
bl=2430 pos[1]=[-15.6 6.1 -9.8] dr=1.36 t=26300.0ps kin=1.56 pot=20.24 Rg=6.585 SPS=1402
bl=2431 pos[1]=[-14.8 5.6 -10.0] dr=1.33 t=26310.0ps kin=1.48 pot=20.21 Rg=6.467 SPS=1370
bl=2432 pos[1]=[-16.0 4.8 -7.0] dr=1.33 t=26320.0ps kin=1.53 pot=20.25 Rg=6.442 SPS=1398
bl=2433 pos[1]=[-15.7 3.3 -7.6] dr=1.41 t=26330.0ps kin=1.44 pot=20.24 Rg=6.526 SPS=1350
bl=2434 pos[1]=[-15.5 2.1 -8.8] dr=1.29 t=26340.0ps kin=1.49 pot=20.27 Rg=6.445 SPS=1393
bl=2435 pos[1]=[-16.1 2.3 -9.3] dr=1.34 t=26350.0ps kin=1.49 pot=20.23 Rg=6.442 SPS=1398
bl=2436 pos[1]=[-16.8 2.4 -10.6] dr=1.33 t=26360.0ps kin=1.52 pot=20.19 Rg=6.392 SPS=1399
bl=2437 pos[1]=[-12.9 4.0 -12.0] dr=1.37 t=26370.0ps kin=1.43 pot=20.24 Rg=6.495 SPS=1370
bl=2438 pos[1]=[-16.0 6.1 -11.4] dr=1.29 t=26380.0ps kin=1.49 pot=20.27 Rg=6.418 SPS=1372
bl=2439 pos[1]=[-18.1 3.8 -10.7] dr=1.35 t=26390.0ps kin=1.48 pot=20.19 Rg=6.401 SPS=1377
bl=2440 pos[1]=[-17.9 2.7 -9.6] dr=1.31 t=26400.0ps kin=1.53 pot=20.20 Rg=6.467 SPS=1363
bl=2441 pos[1]=[-14.1 4.1 -10.6] dr=1.33 t=26410.0ps kin=1.54 pot=20.23 Rg=6.496 SPS=1395
bl=2442 pos[1]=[-14.5 5.0 -10.6] dr=1.36 t=26420.0ps kin=1.51 pot=20.31 Rg=6.465 SPS=1382
bl=2443 pos[1]=[-16.3 4.1 -9.1] dr=1.39 t=26430.0ps kin=1.53 pot=20.19 Rg=6.539 SPS=1405
bl=2444 pos[1]=[-16.1 2.4 -11.3] dr=1.32 t=26440.0ps kin=1.46 pot=20.21 Rg=6.510 SPS=1412
bl=2445 pos[1]=[-15.0 3.5 -11.1] dr=1.32 t=26450.0ps kin=1.46 pot=20.31 Rg=6.500 SPS=1300
bl=2446 pos[1]=[-15.3 2.4 -8.3] dr=1.35 t=26460.0ps kin=1.52 pot=20.22 Rg=6.456 SPS=1406
bl=2447 pos[1]=[-16.2 0.8 -9.6] dr=1.37 t=26470.0ps kin=1.52 pot=20.28 Rg=6.504 SPS=1394
bl=2448 pos[1]=[-16.0 1.1 -9.3] dr=1.38 t=26480.0ps kin=1.50 pot=20.22 Rg=6.545 SPS=1378
bl=2449 pos[1]=[-16.8 2.0 -7.2] dr=1.37 t=26490.0ps kin=1.47 pot=20.30 Rg=6.543 SPS=1389
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.98512768 2.24560254 -3.49257135] Rg = 6.542764
median bond size is 0.9647322015897745
three shortest/longest (<10)/ bonds are [0.88196941 0.88482589 0.88969311] [1.08018926 1.08441666 1.14191586]
95 percentile of distance to center is: 9.317192183609713
density of closest 95% monomers is: 0.3802239983642402
density of the core monomers is: 0.678283692678025
min/median/mean/max coordinates are:
x: -22.17, -11.94, -11.99, -1.50
y: -7.86, 2.42, 2.25, 12.40
z: -10.73, -3.57, -3.49, 3.71
Statistics for velocities:
mean kinetic energy is: 1.4776220036040666 should be: 1.5
fastest particles are (in kT): [6.90382504 7.10778219 7.37135636 7.51210931 7.58217904]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.30149566740413
bl=2450 pos[1]=[-16.0 1.5 -7.9] dr=1.40 t=26500.0ps kin=1.45 pot=20.34 Rg=6.645 SPS=1395
bl=2451 pos[1]=[-15.6 2.2 -8.3] dr=1.41 t=26510.0ps kin=1.54 pot=20.25 Rg=6.572 SPS=1409
bl=2452 pos[1]=[-16.9 1.4 -7.2] dr=1.35 t=26520.0ps kin=1.50 pot=20.22 Rg=6.558 SPS=1396
bl=2453 pos[1]=[-16.8 -0.4 -6.6] dr=1.29 t=26530.0ps kin=1.44 pot=20.29 Rg=6.554 SPS=1399
bl=2454 pos[1]=[-14.4 -1.1 -8.9] dr=1.35 t=26540.0ps kin=1.54 pot=20.26 Rg=6.485 SPS=1380
bl=2455 pos[1]=[-17.3 -0.6 -9.2] dr=1.36 t=26550.0ps kin=1.52 pot=20.26 Rg=6.455 SPS=1378
bl=2456 pos[1]=[-18.7 0.1 -7.9] dr=1.34 t=26560.0ps kin=1.51 pot=20.25 Rg=6.421 SPS=1395
bl=2457 pos[1]=[-17.9 -1.3 -7.7] dr=1.38 t=26570.0ps kin=1.47 pot=20.28 Rg=6.494 SPS=1391
bl=2458 pos[1]=[-18.4 -2.0 -6.7] dr=1.37 t=26580.0ps kin=1.46 pot=20.22 Rg=6.445 SPS=1397
bl=2459 pos[1]=[-17.4 -1.4 -8.4] dr=1.29 t=26590.0ps kin=1.46 pot=20.27 Rg=6.480 SPS=1409
bl=2460 pos[1]=[-18.6 -1.4 -8.5] dr=1.29 t=26600.0ps kin=1.48 pot=20.26 Rg=6.508 SPS=1399
bl=2461 pos[1]=[-19.7 -1.0 -9.5] dr=1.37 t=26610.0ps kin=1.46 pot=20.27 Rg=6.578 SPS=1394
bl=2462 pos[1]=[-17.5 -1.0 -9.4] dr=1.39 t=26620.0ps kin=1.49 pot=20.29 Rg=6.542 SPS=1409
bl=2463 pos[1]=[-16.9 -0.2 -9.1] dr=1.38 t=26630.0ps kin=1.51 pot=20.27 Rg=6.583 SPS=1391
bl=2464 pos[1]=[-14.4 -2.6 -9.6] dr=1.39 t=26640.0ps kin=1.49 pot=20.26 Rg=6.558 SPS=1394
bl=2465 pos[1]=[-14.1 -2.8 -11.2] dr=1.31 t=26650.0ps kin=1.47 pot=20.30 Rg=6.524 SPS=1373
bl=2466 pos[1]=[-14.5 0.8 -11.0] dr=1.36 t=26660.0ps kin=1.55 pot=20.31 Rg=6.637 SPS=1394
bl=2467 pos[1]=[-15.0 0.4 -10.7] dr=1.32 t=26670.0ps kin=1.62 pot=20.28 Rg=6.610 SPS=1398
bl=2468 pos[1]=[-16.2 3.1 -10.5] dr=1.39 t=26680.0ps kin=1.49 pot=20.31 Rg=6.661 SPS=1387
bl=2469 pos[1]=[-16.9 3.2 -11.1] dr=1.38 t=26690.0ps kin=1.50 pot=20.28 Rg=6.627 SPS=1396
bl=2470 pos[1]=[-17.8 -0.4 -11.1] dr=1.38 t=26700.0ps kin=1.59 pot=20.31 Rg=6.534 SPS=1403
bl=2471 pos[1]=[-18.2 -0.9 -9.6] dr=1.42 t=26710.0ps kin=1.52 pot=20.31 Rg=6.541 SPS=1395
bl=2472 pos[1]=[-18.8 -1.7 -8.8] dr=1.31 t=26720.0ps kin=1.49 pot=20.31 Rg=6.525 SPS=1387
bl=2473 pos[1]=[-18.8 0.3 -8.4] dr=1.34 t=26730.0ps kin=1.49 pot=20.23 Rg=6.526 SPS=1337
bl=2474 pos[1]=[-18.9 1.8 -7.1] dr=1.43 t=26740.0ps kin=1.56 pot=20.25 Rg=6.463 SPS=1389
bl=2475 pos[1]=[-17.1 1.4 -7.4] dr=1.42 t=26750.0ps kin=1.48 pot=20.28 Rg=6.524 SPS=1264
bl=2476 pos[1]=[-17.7 0.8 -7.1] dr=1.35 t=26760.0ps kin=1.52 pot=20.28 Rg=6.593 SPS=1394
bl=2477 pos[1]=[-16.8 1.4 -8.4] dr=1.37 t=26770.0ps kin=1.46 pot=20.28 Rg=6.617 SPS=1404
bl=2478 pos[1]=[-16.5 1.5 -8.2] dr=1.37 t=26780.0ps kin=1.47 pot=20.30 Rg=6.590 SPS=1395
bl=2479 pos[1]=[-16.3 1.9 -6.4] dr=1.35 t=26790.0ps kin=1.52 pot=20.29 Rg=6.537 SPS=1396
bl=2480 pos[1]=[-15.5 3.0 -5.9] dr=1.42 t=26800.0ps kin=1.58 pot=20.26 Rg=6.614 SPS=1386
bl=2481 pos[1]=[-16.0 2.2 -6.7] dr=1.36 t=26810.0ps kin=1.53 pot=20.33 Rg=6.567 SPS=1369
bl=2482 pos[1]=[-16.2 3.5 -5.7] dr=1.35 t=26820.0ps kin=1.48 pot=20.33 Rg=6.677 SPS=1390
bl=2483 pos[1]=[-14.9 3.6 -4.3] dr=1.35 t=26830.0ps kin=1.55 pot=20.28 Rg=6.665 SPS=1401
bl=2484 pos[1]=[-14.6 4.1 -4.3] dr=1.39 t=26840.0ps kin=1.52 pot=20.32 Rg=6.547 SPS=1399
bl=2485 pos[1]=[-15.1 4.8 -5.3] dr=1.34 t=26850.0ps kin=1.48 pot=20.31 Rg=6.606 SPS=1375
bl=2486 pos[1]=[-16.7 4.5 -5.4] dr=1.35 t=26860.0ps kin=1.47 pot=20.33 Rg=6.565 SPS=1388
bl=2487 pos[1]=[-16.6 3.4 -6.0] dr=1.34 t=26870.0ps kin=1.43 pot=20.35 Rg=6.563 SPS=1398
bl=2488 pos[1]=[-16.0 3.9 -6.3] dr=1.35 t=26880.0ps kin=1.46 pot=20.30 Rg=6.548 SPS=1399
bl=2489 pos[1]=[-17.4 3.6 -6.8] dr=1.31 t=26890.0ps kin=1.49 pot=20.24 Rg=6.558 SPS=1375
bl=2490 pos[1]=[-17.7 3.9 -6.6] dr=1.30 t=26900.0ps kin=1.48 pot=20.24 Rg=6.603 SPS=1391
bl=2491 pos[1]=[-16.5 4.3 -8.5] dr=1.31 t=26910.0ps kin=1.52 pot=20.28 Rg=6.608 SPS=1385
bl=2492 pos[1]=[-16.4 3.6 -8.3] dr=1.35 t=26920.0ps kin=1.50 pot=20.28 Rg=6.526 SPS=1379
bl=2493 pos[1]=[-17.0 1.7 -7.9] dr=1.35 t=26930.0ps kin=1.54 pot=20.26 Rg=6.507 SPS=1388
bl=2494 pos[1]=[-17.5 1.9 -6.7] dr=1.41 t=26940.0ps kin=1.55 pot=20.23 Rg=6.512 SPS=1401
bl=2495 pos[1]=[-17.5 1.5 -6.5] dr=1.29 t=26950.0ps kin=1.50 pot=20.20 Rg=6.498 SPS=1400
bl=2496 pos[1]=[-17.4 2.2 -8.0] dr=1.29 t=26960.0ps kin=1.53 pot=20.19 Rg=6.467 SPS=1341
bl=2497 pos[1]=[-15.6 1.5 -9.0] dr=1.33 t=26970.0ps kin=1.48 pot=20.27 Rg=6.518 SPS=1380
bl=2498 pos[1]=[-17.2 0.3 -7.0] dr=1.33 t=26980.0ps kin=1.47 pot=20.20 Rg=6.607 SPS=1393
bl=2499 pos[1]=[-16.0 0.4 -5.3] dr=1.34 t=26990.0ps kin=1.50 pot=20.18 Rg=6.574 SPS=1386
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.87292585 1.19673139 -4.44962574] Rg = 6.5742545
median bond size is 0.9647134074425947
three shortest/longest (<10)/ bonds are [0.88550021 0.88977792 0.89036148] [1.0757162 1.07996622 1.08457309]
95 percentile of distance to center is: 9.55145839316324
density of closest 95% monomers is: 0.35292759843581173
density of the core monomers is: 0.7157677760165557
min/median/mean/max coordinates are:
x: -22.11, -11.83, -11.87, -3.11
y: -8.63, 1.25, 1.20, 11.05
z: -12.99, -4.31, -4.45, 3.23
Statistics for velocities:
mean kinetic energy is: 1.5046153719020114 should be: 1.5
fastest particles are (in kT): [ 5.98962278 6.11471258 7.05277531 8.19715376 11.6318913 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.183055056231563
bl=2500 pos[1]=[-15.2 0.4 -4.4] dr=1.31 t=27000.0ps kin=1.45 pot=20.22 Rg=6.466 SPS=1387
bl=2501 pos[1]=[-14.8 0.8 -4.3] dr=1.33 t=27010.0ps kin=1.50 pot=20.30 Rg=6.496 SPS=1352
bl=2502 pos[1]=[-15.6 1.0 -4.3] dr=1.40 t=27020.0ps kin=1.48 pot=20.27 Rg=6.542 SPS=1412
bl=2503 pos[1]=[-15.3 1.8 -4.0] dr=1.33 t=27030.0ps kin=1.49 pot=20.26 Rg=6.564 SPS=1373
bl=2504 pos[1]=[-15.9 1.0 -3.1] dr=1.42 t=27040.0ps kin=1.49 pot=20.21 Rg=6.506 SPS=1404
bl=2505 pos[1]=[-15.0 -0.9 -3.8] dr=1.37 t=27050.0ps kin=1.47 pot=20.21 Rg=6.547 SPS=1389
bl=2506 pos[1]=[-15.3 -1.2 -2.7] dr=1.37 t=27060.0ps kin=1.50 pot=20.24 Rg=6.503 SPS=1276
bl=2507 pos[1]=[-15.7 -1.4 -2.4] dr=1.32 t=27070.0ps kin=1.53 pot=20.24 Rg=6.535 SPS=1383
bl=2508 pos[1]=[-16.2 -0.9 -2.8] dr=1.36 t=27080.0ps kin=1.51 pot=20.22 Rg=6.486 SPS=1412
bl=2509 pos[1]=[-15.7 -0.7 -4.5] dr=1.34 t=27090.0ps kin=1.55 pot=20.20 Rg=6.421 SPS=1386
bl=2510 pos[1]=[-15.7 -0.4 -4.4] dr=1.35 t=27100.0ps kin=1.49 pot=20.25 Rg=6.510 SPS=1375
bl=2511 pos[1]=[-14.8 -0.7 -3.1] dr=1.30 t=27110.0ps kin=1.52 pot=20.23 Rg=6.411 SPS=1373
bl=2512 pos[1]=[-14.6 -0.2 -5.1] dr=1.31 t=27120.0ps kin=1.42 pot=20.22 Rg=6.437 SPS=1307
bl=2513 pos[1]=[-13.4 0.5 -5.0] dr=1.28 t=27130.0ps kin=1.46 pot=20.20 Rg=6.425 SPS=1301
bl=2514 pos[1]=[-15.6 -0.0 -4.0] dr=1.35 t=27140.0ps kin=1.47 pot=20.21 Rg=6.481 SPS=1365
bl=2515 pos[1]=[-15.0 0.9 -4.2] dr=1.30 t=27150.0ps kin=1.51 pot=20.18 Rg=6.520 SPS=1384
bl=2516 pos[1]=[-15.6 1.5 -4.9] dr=1.30 t=27160.0ps kin=1.50 pot=20.18 Rg=6.547 SPS=1383
bl=2517 pos[1]=[-15.3 1.7 -6.9] dr=1.36 t=27170.0ps kin=1.52 pot=20.26 Rg=6.536 SPS=1347
bl=2518 pos[1]=[-16.1 2.9 -8.6] dr=1.31 t=27180.0ps kin=1.48 pot=20.23 Rg=6.598 SPS=1377
bl=2519 pos[1]=[-16.5 3.0 -8.9] dr=1.33 t=27190.0ps kin=1.53 pot=20.23 Rg=6.547 SPS=1394
bl=2520 pos[1]=[-14.3 2.9 -10.4] dr=1.30 t=27200.0ps kin=1.49 pot=20.25 Rg=6.477 SPS=1364
bl=2521 pos[1]=[-11.5 1.5 -9.6] dr=1.31 t=27210.0ps kin=1.49 pot=20.23 Rg=6.448 SPS=1333
bl=2522 pos[1]=[-12.3 2.8 -10.5] dr=1.37 t=27220.0ps kin=1.48 pot=20.25 Rg=6.416 SPS=1362
bl=2523 pos[1]=[-12.4 3.3 -10.6] dr=1.33 t=27230.0ps kin=1.54 pot=20.24 Rg=6.403 SPS=1343
bl=2524 pos[1]=[-11.4 2.5 -9.3] dr=1.36 t=27240.0ps kin=1.54 pot=20.19 Rg=6.445 SPS=1320
bl=2525 pos[1]=[-12.4 2.8 -10.1] dr=1.36 t=27250.0ps kin=1.53 pot=20.23 Rg=6.502 SPS=1340
bl=2526 pos[1]=[-11.3 1.6 -10.1] dr=1.30 t=27260.0ps kin=1.52 pot=20.18 Rg=6.485 SPS=1395
bl=2527 pos[1]=[-12.3 2.1 -10.7] dr=1.30 t=27270.0ps kin=1.51 pot=20.20 Rg=6.457 SPS=1368
bl=2528 pos[1]=[-14.4 -0.5 -11.4] dr=1.33 t=27280.0ps kin=1.44 pot=20.26 Rg=6.522 SPS=1347
bl=2529 pos[1]=[-15.9 2.4 -13.1] dr=1.29 t=27290.0ps kin=1.51 pot=20.25 Rg=6.483 SPS=1386
bl=2530 pos[1]=[-17.2 2.5 -12.4] dr=1.34 t=27300.0ps kin=1.49 pot=20.24 Rg=6.463 SPS=1319
bl=2531 pos[1]=[-15.1 0.4 -10.6] dr=1.38 t=27310.0ps kin=1.48 pot=20.26 Rg=6.441 SPS=1362
bl=2532 pos[1]=[-14.5 1.7 -11.1] dr=1.28 t=27320.0ps kin=1.47 pot=20.23 Rg=6.465 SPS=1347
bl=2533 pos[1]=[-15.3 2.0 -10.8] dr=1.30 t=27330.0ps kin=1.50 pot=20.25 Rg=6.389 SPS=1310
bl=2534 pos[1]=[-18.2 0.4 -9.2] dr=1.34 t=27340.0ps kin=1.49 pot=20.24 Rg=6.417 SPS=1329
bl=2535 pos[1]=[-20.4 1.6 -9.8] dr=1.36 t=27350.0ps kin=1.46 pot=20.24 Rg=6.433 SPS=1341
bl=2536 pos[1]=[-20.1 3.1 -8.3] dr=1.34 t=27360.0ps kin=1.54 pot=20.28 Rg=6.429 SPS=1323
bl=2537 pos[1]=[-19.1 3.7 -8.8] dr=1.37 t=27370.0ps kin=1.53 pot=20.32 Rg=6.411 SPS=1204
bl=2538 pos[1]=[-19.3 6.2 -7.0] dr=1.33 t=27380.0ps kin=1.53 pot=20.32 Rg=6.407 SPS=1333
bl=2539 pos[1]=[-20.2 6.0 -6.2] dr=1.35 t=27390.0ps kin=1.49 pot=20.29 Rg=6.442 SPS=1393
bl=2540 pos[1]=[-18.8 5.7 -4.0] dr=1.38 t=27400.0ps kin=1.54 pot=20.28 Rg=6.430 SPS=1384
bl=2541 pos[1]=[-16.5 5.3 -4.9] dr=1.33 t=27410.0ps kin=1.46 pot=20.27 Rg=6.416 SPS=1364
bl=2542 pos[1]=[-18.0 4.4 -4.0] dr=1.32 t=27420.0ps kin=1.47 pot=20.25 Rg=6.467 SPS=1356
bl=2543 pos[1]=[-17.7 4.5 -4.0] dr=1.33 t=27430.0ps kin=1.48 pot=20.24 Rg=6.453 SPS=1378
bl=2544 pos[1]=[-18.2 6.2 -4.6] dr=1.37 t=27440.0ps kin=1.49 pot=20.25 Rg=6.509 SPS=1409
bl=2545 pos[1]=[-17.0 4.7 -6.0] dr=1.29 t=27450.0ps kin=1.48 pot=20.26 Rg=6.460 SPS=1400
bl=2546 pos[1]=[-15.8 5.1 -7.2] dr=1.38 t=27460.0ps kin=1.48 pot=20.23 Rg=6.379 SPS=1356
bl=2547 pos[1]=[-17.8 4.4 -7.5] dr=1.33 t=27470.0ps kin=1.53 pot=20.23 Rg=6.492 SPS=1373
bl=2548 pos[1]=[-18.7 2.6 -6.8] dr=1.42 t=27480.0ps kin=1.46 pot=20.26 Rg=6.435 SPS=1381
bl=2549 pos[1]=[-20.3 1.8 -6.0] dr=1.34 t=27490.0ps kin=1.50 pot=20.23 Rg=6.414 SPS=1321
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-1.25516396e+01 -5.88564103e-03 -5.22137950e+00] Rg = 6.4140496
median bond size is 0.9648983914845449
three shortest/longest (<10)/ bonds are [0.88371486 0.89221241 0.89277745] [1.07870195 1.08180601 1.08546871]
95 percentile of distance to center is: 8.957508337114922
density of closest 95% monomers is: 0.42789087237312895
density of the core monomers is: 0.669591795784913
min/median/mean/max coordinates are:
x: -21.71, -12.56, -12.55, -3.14
y: -9.34, -0.14, -0.01, 9.13
z: -14.09, -5.40, -5.22, 3.38
Statistics for velocities:
mean kinetic energy is: 1.5042677597393916 should be: 1.5
fastest particles are (in kT): [6.37069141 6.69145719 7.13523676 7.73262873 7.84247046]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.227106955199115
bl=2550 pos[1]=[-20.4 -1.5 -7.2] dr=1.34 t=27500.0ps kin=1.51 pot=20.19 Rg=6.387 SPS=1315
bl=2551 pos[1]=[-18.3 -1.0 -8.5] dr=1.33 t=27510.0ps kin=1.57 pot=20.23 Rg=6.380 SPS=1319
bl=2552 pos[1]=[-19.5 0.5 -7.9] dr=1.36 t=27520.0ps kin=1.50 pot=20.22 Rg=6.391 SPS=1294
bl=2553 pos[1]=[-19.6 0.9 -7.6] dr=1.31 t=27530.0ps kin=1.48 pot=20.28 Rg=6.556 SPS=1396
bl=2554 pos[1]=[-19.0 2.0 -8.0] dr=1.30 t=27540.0ps kin=1.45 pot=20.27 Rg=6.539 SPS=1410
bl=2555 pos[1]=[-18.5 0.5 -8.0] dr=1.34 t=27550.0ps kin=1.44 pot=20.27 Rg=6.592 SPS=1437
bl=2556 pos[1]=[-18.0 1.3 -7.2] dr=1.35 t=27560.0ps kin=1.50 pot=20.22 Rg=6.540 SPS=1417
bl=2557 pos[1]=[-17.5 1.8 -7.3] dr=1.33 t=27570.0ps kin=1.46 pot=20.23 Rg=6.575 SPS=1411
bl=2558 pos[1]=[-17.1 -0.2 -9.4] dr=1.35 t=27580.0ps kin=1.46 pot=20.21 Rg=6.471 SPS=1413
bl=2559 pos[1]=[-16.0 -0.9 -8.6] dr=1.27 t=27590.0ps kin=1.41 pot=20.25 Rg=6.400 SPS=1412
bl=2560 pos[1]=[-17.0 0.1 -9.4] dr=1.30 t=27600.0ps kin=1.47 pot=20.19 Rg=6.392 SPS=1413
bl=2561 pos[1]=[-17.9 0.1 -8.6] dr=1.27 t=27610.0ps kin=1.48 pot=20.22 Rg=6.432 SPS=1353
bl=2562 pos[1]=[-18.9 1.3 -8.2] dr=1.31 t=27620.0ps kin=1.47 pot=20.22 Rg=6.410 SPS=1406
bl=2563 pos[1]=[-19.4 1.3 -7.1] dr=1.39 t=27630.0ps kin=1.49 pot=20.31 Rg=6.460 SPS=1422
bl=2564 pos[1]=[-19.7 1.2 -6.1] dr=1.29 t=27640.0ps kin=1.48 pot=20.27 Rg=6.443 SPS=1392
bl=2565 pos[1]=[-20.8 0.3 -6.3] dr=1.34 t=27650.0ps kin=1.57 pot=20.26 Rg=6.421 SPS=1357
bl=2566 pos[1]=[-21.3 -1.0 -7.5] dr=1.38 t=27660.0ps kin=1.49 pot=20.22 Rg=6.482 SPS=1381
bl=2567 pos[1]=[-21.2 -1.4 -5.5] dr=1.38 t=27670.0ps kin=1.53 pot=20.26 Rg=6.547 SPS=1269
bl=2568 pos[1]=[-19.9 -1.3 -5.8] dr=1.34 t=27680.0ps kin=1.54 pot=20.22 Rg=6.468 SPS=1382
bl=2569 pos[1]=[-20.0 -0.8 -4.6] dr=1.35 t=27690.0ps kin=1.49 pot=20.25 Rg=6.461 SPS=1396
bl=2570 pos[1]=[-19.4 1.1 -3.9] dr=1.33 t=27700.0ps kin=1.45 pot=20.26 Rg=6.443 SPS=1401
bl=2571 pos[1]=[-17.5 1.2 -3.7] dr=1.32 t=27710.0ps kin=1.53 pot=20.25 Rg=6.471 SPS=1403
bl=2572 pos[1]=[-19.6 2.1 -3.9] dr=1.42 t=27720.0ps kin=1.50 pot=20.30 Rg=6.476 SPS=1352
bl=2573 pos[1]=[-20.4 2.0 -5.4] dr=1.38 t=27730.0ps kin=1.49 pot=20.26 Rg=6.497 SPS=1385
bl=2574 pos[1]=[-19.6 1.3 -4.7] dr=1.34 t=27740.0ps kin=1.50 pot=20.29 Rg=6.530 SPS=1375
bl=2575 pos[1]=[-18.6 2.1 -3.9] dr=1.32 t=27750.0ps kin=1.41 pot=20.30 Rg=6.550 SPS=1380
bl=2576 pos[1]=[-18.7 2.8 -1.6] dr=1.36 t=27760.0ps kin=1.48 pot=20.25 Rg=6.498 SPS=1418
bl=2577 pos[1]=[-18.6 2.5 1.3] dr=1.33 t=27770.0ps kin=1.50 pot=20.28 Rg=6.498 SPS=1405
bl=2578 pos[1]=[-20.2 2.2 1.3] dr=1.38 t=27780.0ps kin=1.49 pot=20.29 Rg=6.498 SPS=1386
bl=2579 pos[1]=[-18.5 2.5 0.7] dr=1.29 t=27790.0ps kin=1.46 pot=20.30 Rg=6.534 SPS=1402
bl=2580 pos[1]=[-17.3 2.8 0.7] dr=1.35 t=27800.0ps kin=1.51 pot=20.30 Rg=6.602 SPS=1373
bl=2581 pos[1]=[-20.5 4.6 -0.5] dr=1.33 t=27810.0ps kin=1.48 pot=20.28 Rg=6.596 SPS=1389
bl=2582 pos[1]=[-19.8 3.3 -0.9] dr=1.36 t=27820.0ps kin=1.50 pot=20.31 Rg=6.515 SPS=1388
bl=2583 pos[1]=[-20.2 0.3 -2.0] dr=1.38 t=27830.0ps kin=1.47 pot=20.29 Rg=6.548 SPS=1396
bl=2584 pos[1]=[-20.1 0.4 -3.1] dr=1.35 t=27840.0ps kin=1.53 pot=20.21 Rg=6.480 SPS=1396
bl=2585 pos[1]=[-19.8 0.7 -4.0] dr=1.34 t=27850.0ps kin=1.53 pot=20.21 Rg=6.474 SPS=1390
bl=2586 pos[1]=[-20.6 -0.2 -4.8] dr=1.33 t=27860.0ps kin=1.52 pot=20.26 Rg=6.588 SPS=1392
bl=2587 pos[1]=[-20.8 -0.8 -5.0] dr=1.30 t=27870.0ps kin=1.48 pot=20.29 Rg=6.562 SPS=1403
bl=2588 pos[1]=[-19.1 -0.9 -5.9] dr=1.38 t=27880.0ps kin=1.47 pot=20.28 Rg=6.530 SPS=1370
bl=2589 pos[1]=[-19.4 -0.3 -5.3] dr=1.35 t=27890.0ps kin=1.55 pot=20.28 Rg=6.560 SPS=1390
bl=2590 pos[1]=[-18.4 0.1 -6.7] dr=1.35 t=27900.0ps kin=1.51 pot=20.21 Rg=6.448 SPS=1410
bl=2591 pos[1]=[-19.7 3.7 -6.1] dr=1.33 t=27910.0ps kin=1.44 pot=20.23 Rg=6.429 SPS=1365
bl=2592 pos[1]=[-19.0 4.0 -6.2] dr=1.35 t=27920.0ps kin=1.56 pot=20.22 Rg=6.423 SPS=1353
bl=2593 pos[1]=[-18.7 4.8 -5.8] dr=1.37 t=27930.0ps kin=1.51 pot=20.25 Rg=6.565 SPS=1379
bl=2594 pos[1]=[-21.6 2.3 -5.6] dr=1.39 t=27940.0ps kin=1.49 pot=20.26 Rg=6.555 SPS=1261
bl=2595 pos[1]=[-20.8 2.4 -3.9] dr=1.44 t=27950.0ps kin=1.49 pot=20.21 Rg=6.517 SPS=1372
bl=2596 pos[1]=[-21.0 0.3 -2.1] dr=1.33 t=27960.0ps kin=1.53 pot=20.31 Rg=6.610 SPS=1370
bl=2597 pos[1]=[-19.8 0.9 0.9] dr=1.41 t=27970.0ps kin=1.50 pot=20.33 Rg=6.634 SPS=1399
bl=2598 pos[1]=[-17.8 1.2 0.8] dr=1.33 t=27980.0ps kin=1.48 pot=20.35 Rg=6.691 SPS=1401
bl=2599 pos[1]=[-18.8 4.5 -1.2] dr=1.36 t=27990.0ps kin=1.50 pot=20.26 Rg=6.506 SPS=1386
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-13.68348767 0.19753705 -6.52874382] Rg = 6.506065
median bond size is 0.9654776456264621
three shortest/longest (<10)/ bonds are [0.88063586 0.88185427 0.88339902] [1.08354895 1.1000181 1.106551 ]
95 percentile of distance to center is: 9.251553820430102
density of closest 95% monomers is: 0.3883744458156397
density of the core monomers is: 0.7778246524341804
min/median/mean/max coordinates are:
x: -22.36, -13.65, -13.68, -5.29
y: -9.48, 0.01, 0.20, 10.66
z: -15.09, -6.54, -6.53, 1.89
Statistics for velocities:
mean kinetic energy is: 1.5001646369489705 should be: 1.5
fastest particles are (in kT): [7.07940769 7.17778314 7.18727772 7.64314469 8.58863871]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.259375288071535
bl=2600 pos[1]=[-19.8 3.7 -1.8] dr=1.32 t=28000.0ps kin=1.45 pot=20.28 Rg=6.598 SPS=1385
bl=2601 pos[1]=[-19.3 3.1 -4.2] dr=1.33 t=28010.0ps kin=1.44 pot=20.25 Rg=6.593 SPS=1410
bl=2602 pos[1]=[-19.8 4.2 -1.0] dr=1.38 t=28020.0ps kin=1.56 pot=20.31 Rg=6.649 SPS=1385
bl=2603 pos[1]=[-20.6 2.1 -0.3] dr=1.37 t=28030.0ps kin=1.56 pot=20.32 Rg=6.630 SPS=1415
bl=2604 pos[1]=[-19.8 3.0 -0.6] dr=1.30 t=28040.0ps kin=1.46 pot=20.30 Rg=6.695 SPS=1350
bl=2605 pos[1]=[-17.7 1.8 -2.3] dr=1.27 t=28050.0ps kin=1.54 pot=20.23 Rg=6.682 SPS=1376
bl=2606 pos[1]=[-18.4 0.0 -1.7] dr=1.36 t=28060.0ps kin=1.51 pot=20.22 Rg=6.686 SPS=1390
bl=2607 pos[1]=[-20.0 0.6 -2.6] dr=1.38 t=28070.0ps kin=1.48 pot=20.33 Rg=6.683 SPS=1402
bl=2608 pos[1]=[-22.5 1.3 -3.6] dr=1.37 t=28080.0ps kin=1.50 pot=20.27 Rg=6.612 SPS=1394
bl=2609 pos[1]=[-19.8 0.7 -3.9] dr=1.36 t=28090.0ps kin=1.48 pot=20.26 Rg=6.650 SPS=1411
bl=2610 pos[1]=[-19.9 2.0 -4.1] dr=1.41 t=28100.0ps kin=1.50 pot=20.25 Rg=6.625 SPS=1396
bl=2611 pos[1]=[-20.6 1.8 -4.9] dr=1.36 t=28110.0ps kin=1.49 pot=20.26 Rg=6.606 SPS=1357
bl=2612 pos[1]=[-20.1 1.8 -4.8] dr=1.41 t=28120.0ps kin=1.52 pot=20.24 Rg=6.580 SPS=1384
bl=2613 pos[1]=[-19.8 1.6 -4.9] dr=1.38 t=28130.0ps kin=1.57 pot=20.21 Rg=6.528 SPS=1381
bl=2614 pos[1]=[-21.2 1.4 -4.9] dr=1.34 t=28140.0ps kin=1.48 pot=20.30 Rg=6.588 SPS=1369
bl=2615 pos[1]=[-20.6 2.2 -5.1] dr=1.35 t=28150.0ps kin=1.45 pot=20.26 Rg=6.513 SPS=1370
bl=2616 pos[1]=[-20.4 2.8 -4.1] dr=1.33 t=28160.0ps kin=1.50 pot=20.23 Rg=6.544 SPS=1377
bl=2617 pos[1]=[-18.2 4.2 -4.4] dr=1.28 t=28170.0ps kin=1.47 pot=20.23 Rg=6.570 SPS=1397
bl=2618 pos[1]=[-17.9 4.8 -6.0] dr=1.38 t=28180.0ps kin=1.60 pot=20.21 Rg=6.519 SPS=1351
bl=2619 pos[1]=[-19.5 6.6 -9.6] dr=1.35 t=28190.0ps kin=1.51 pot=20.28 Rg=6.546 SPS=1383
bl=2620 pos[1]=[-16.0 7.5 -9.3] dr=1.42 t=28200.0ps kin=1.50 pot=20.26 Rg=6.526 SPS=1368
bl=2621 pos[1]=[-14.3 8.5 -8.3] dr=1.31 t=28210.0ps kin=1.52 pot=20.17 Rg=6.547 SPS=1398
bl=2622 pos[1]=[-14.3 8.6 -6.9] dr=1.34 t=28220.0ps kin=1.54 pot=20.24 Rg=6.545 SPS=970
bl=2623 pos[1]=[-14.3 8.2 -9.0] dr=1.35 t=28230.0ps kin=1.57 pot=20.28 Rg=6.595 SPS=921
bl=2624 pos[1]=[-15.2 5.5 -8.2] dr=1.39 t=28240.0ps kin=1.56 pot=20.22 Rg=6.540 SPS=772
bl=2625 pos[1]=[-16.0 5.1 -6.7] dr=1.32 t=28250.0ps kin=1.49 pot=20.21 Rg=6.591 SPS=1145
bl=2626 pos[1]=[-17.0 5.7 -5.1] dr=1.32 t=28260.0ps kin=1.51 pot=20.21 Rg=6.570 SPS=1337
bl=2627 pos[1]=[-16.7 6.7 -4.2] dr=1.35 t=28270.0ps kin=1.51 pot=20.24 Rg=6.564 SPS=1324
bl=2628 pos[1]=[-17.4 4.1 -3.4] dr=1.34 t=28280.0ps kin=1.45 pot=20.21 Rg=6.568 SPS=839
bl=2629 pos[1]=[-17.2 5.5 -3.3] dr=1.36 t=28290.0ps kin=1.47 pot=20.26 Rg=6.474 SPS=1184
bl=2630 pos[1]=[-15.6 5.4 -2.7] dr=1.28 t=28300.0ps kin=1.50 pot=20.21 Rg=6.526 SPS=1312
bl=2631 pos[1]=[-18.9 5.5 -3.7] dr=1.38 t=28310.0ps kin=1.56 pot=20.25 Rg=6.557 SPS=1310
bl=2632 pos[1]=[-19.3 5.5 -4.7] dr=1.36 t=28320.0ps kin=1.51 pot=20.25 Rg=6.574 SPS=1341
bl=2633 pos[1]=[-17.9 4.5 -6.1] dr=1.29 t=28330.0ps kin=1.45 pot=20.28 Rg=6.543 SPS=1320
bl=2634 pos[1]=[-18.4 4.8 -4.6] dr=1.35 t=28340.0ps kin=1.45 pot=20.26 Rg=6.509 SPS=1322
bl=2635 pos[1]=[-17.3 4.9 -2.2] dr=1.29 t=28350.0ps kin=1.47 pot=20.26 Rg=6.537 SPS=1335
bl=2636 pos[1]=[-17.3 4.4 -2.0] dr=1.39 t=28360.0ps kin=1.47 pot=20.28 Rg=6.556 SPS=1389
bl=2637 pos[1]=[-17.7 5.7 -2.5] dr=1.33 t=28370.0ps kin=1.48 pot=20.23 Rg=6.564 SPS=1384
bl=2638 pos[1]=[-17.6 4.7 -2.1] dr=1.35 t=28380.0ps kin=1.49 pot=20.26 Rg=6.535 SPS=1365
bl=2639 pos[1]=[-16.3 7.9 -1.5] dr=1.32 t=28390.0ps kin=1.53 pot=20.30 Rg=6.555 SPS=1145
bl=2640 pos[1]=[-14.8 8.7 -1.7] dr=1.36 t=28400.0ps kin=1.55 pot=20.24 Rg=6.562 SPS=1407
bl=2641 pos[1]=[-14.8 7.8 -1.8] dr=1.35 t=28410.0ps kin=1.49 pot=20.22 Rg=6.492 SPS=1218
bl=2642 pos[1]=[-15.1 6.2 -1.2] dr=1.39 t=28420.0ps kin=1.54 pot=20.25 Rg=6.487 SPS=1118
bl=2643 pos[1]=[-14.5 6.8 -1.4] dr=1.36 t=28430.0ps kin=1.47 pot=20.23 Rg=6.506 SPS=1397
bl=2644 pos[1]=[-14.4 8.7 -3.0] dr=1.32 t=28440.0ps kin=1.49 pot=20.27 Rg=6.519 SPS=1283
bl=2645 pos[1]=[-14.4 7.3 -3.1] dr=1.31 t=28450.0ps kin=1.51 pot=20.27 Rg=6.479 SPS=1393
bl=2646 pos[1]=[-15.0 4.9 -2.3] dr=1.34 t=28460.0ps kin=1.52 pot=20.30 Rg=6.476 SPS=1391
bl=2647 pos[1]=[-14.3 5.5 -2.8] dr=1.29 t=28470.0ps kin=1.47 pot=20.23 Rg=6.491 SPS=1060
bl=2648 pos[1]=[-14.9 4.8 -3.4] dr=1.40 t=28480.0ps kin=1.50 pot=20.19 Rg=6.433 SPS=863
bl=2649 pos[1]=[-15.4 5.1 -3.4] dr=1.38 t=28490.0ps kin=1.50 pot=20.24 Rg=6.494 SPS=1029
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.09530784 -0.45377345 -5.91540107] Rg = 6.4937773
median bond size is 0.9626206683538979
three shortest/longest (<10)/ bonds are [0.88972098 0.89088593 0.89602479] [1.07527995 1.07981109 1.08254883]
95 percentile of distance to center is: 9.083129464916631
density of closest 95% monomers is: 0.410381875928594
density of the core monomers is: 0.7190124674832883
min/median/mean/max coordinates are:
x: -22.52, -14.02, -14.10, -6.41
y: -9.26, -0.31, -0.45, 8.89
z: -14.55, -5.73, -5.92, 2.01
Statistics for velocities:
mean kinetic energy is: 1.506584123369066 should be: 1.5
fastest particles are (in kT): [6.87147811 7.02532673 7.33677693 8.3461738 9.35407498]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.23595075129056
bl=2650 pos[1]=[-14.5 5.0 -2.3] dr=1.39 t=28500.0ps kin=1.49 pot=20.26 Rg=6.492 SPS=801
bl=2651 pos[1]=[-15.0 4.9 -0.4] dr=1.29 t=28510.0ps kin=1.52 pot=20.20 Rg=6.553 SPS=1073
bl=2652 pos[1]=[-15.3 5.0 -1.3] dr=1.33 t=28520.0ps kin=1.47 pot=20.25 Rg=6.571 SPS=1403
bl=2653 pos[1]=[-15.8 4.2 -3.5] dr=1.44 t=28530.0ps kin=1.49 pot=20.27 Rg=6.513 SPS=1416
bl=2654 pos[1]=[-15.7 4.1 -3.6] dr=1.37 t=28540.0ps kin=1.49 pot=20.24 Rg=6.514 SPS=1005
bl=2655 pos[1]=[-15.5 4.2 -3.4] dr=1.36 t=28550.0ps kin=1.48 pot=20.25 Rg=6.496 SPS=1073
bl=2656 pos[1]=[-16.6 4.2 -2.3] dr=1.32 t=28560.0ps kin=1.50 pot=20.27 Rg=6.537 SPS=1325
bl=2657 pos[1]=[-16.4 4.6 -3.0] dr=1.36 t=28570.0ps kin=1.47 pot=20.33 Rg=6.505 SPS=1311
bl=2658 pos[1]=[-14.4 4.4 -1.7] dr=1.36 t=28580.0ps kin=1.52 pot=20.27 Rg=6.542 SPS=1194
bl=2659 pos[1]=[-14.0 4.6 -2.0] dr=1.36 t=28590.0ps kin=1.54 pot=20.21 Rg=6.531 SPS=1289
bl=2660 pos[1]=[-14.1 5.6 -1.0] dr=1.38 t=28600.0ps kin=1.50 pot=20.22 Rg=6.552 SPS=1381
bl=2661 pos[1]=[-15.1 4.3 0.5] dr=1.37 t=28610.0ps kin=1.54 pot=20.24 Rg=6.553 SPS=903
bl=2662 pos[1]=[-15.3 4.1 -1.2] dr=1.33 t=28620.0ps kin=1.47 pot=20.27 Rg=6.510 SPS=1050
bl=2663 pos[1]=[-15.1 4.9 -2.2] dr=1.36 t=28630.0ps kin=1.52 pot=20.22 Rg=6.546 SPS=1170
bl=2664 pos[1]=[-15.1 5.1 -0.4] dr=1.37 t=28640.0ps kin=1.51 pot=20.24 Rg=6.530 SPS=1252
bl=2665 pos[1]=[-15.4 4.1 0.2] dr=1.36 t=28650.0ps kin=1.45 pot=20.24 Rg=6.587 SPS=1144
bl=2666 pos[1]=[-15.4 5.0 0.1] dr=1.27 t=28660.0ps kin=1.55 pot=20.27 Rg=6.579 SPS=1366
bl=2667 pos[1]=[-13.6 4.6 -0.3] dr=1.33 t=28670.0ps kin=1.46 pot=20.32 Rg=6.542 SPS=1194
bl=2668 pos[1]=[-14.1 5.2 -0.1] dr=1.32 t=28680.0ps kin=1.48 pot=20.28 Rg=6.585 SPS=1346
bl=2669 pos[1]=[-14.1 5.4 -1.1] dr=1.30 t=28690.0ps kin=1.53 pot=20.25 Rg=6.600 SPS=1203
bl=2670 pos[1]=[-15.0 5.3 -1.2] dr=1.32 t=28700.0ps kin=1.52 pot=20.23 Rg=6.593 SPS=1357
bl=2671 pos[1]=[-16.5 6.9 -2.0] dr=1.35 t=28710.0ps kin=1.52 pot=20.29 Rg=6.638 SPS=1401
bl=2672 pos[1]=[-16.7 6.1 -1.4] dr=1.33 t=28720.0ps kin=1.52 pot=20.26 Rg=6.616 SPS=1383
bl=2673 pos[1]=[-18.1 4.0 -0.4] dr=1.35 t=28730.0ps kin=1.44 pot=20.28 Rg=6.633 SPS=1381
bl=2674 pos[1]=[-19.5 4.8 -1.5] dr=1.39 t=28740.0ps kin=1.48 pot=20.30 Rg=6.676 SPS=1402
bl=2675 pos[1]=[-19.3 5.2 -0.8] dr=1.34 t=28750.0ps kin=1.45 pot=20.31 Rg=6.742 SPS=1373
bl=2676 pos[1]=[-20.3 3.8 -1.7] dr=1.45 t=28760.0ps kin=1.55 pot=20.28 Rg=6.760 SPS=1388
bl=2677 pos[1]=[-17.7 2.0 -3.0] dr=1.42 t=28770.0ps kin=1.57 pot=20.26 Rg=6.707 SPS=1393
bl=2678 pos[1]=[-16.5 2.5 -4.1] dr=1.39 t=28780.0ps kin=1.49 pot=20.31 Rg=6.636 SPS=1372
bl=2679 pos[1]=[-15.1 1.7 -2.9] dr=1.34 t=28790.0ps kin=1.55 pot=20.26 Rg=6.664 SPS=1126
bl=2680 pos[1]=[-14.9 1.7 -2.9] dr=1.38 t=28800.0ps kin=1.49 pot=20.26 Rg=6.700 SPS=1380
bl=2681 pos[1]=[-14.8 2.4 -3.3] dr=1.32 t=28810.0ps kin=1.48 pot=20.25 Rg=6.682 SPS=1338
bl=2682 pos[1]=[-16.5 2.5 -3.9] dr=1.31 t=28820.0ps kin=1.55 pot=20.20 Rg=6.626 SPS=1378
bl=2683 pos[1]=[-17.0 1.8 -3.9] dr=1.31 t=28830.0ps kin=1.48 pot=20.25 Rg=6.598 SPS=1115
bl=2684 pos[1]=[-19.6 3.1 -3.6] dr=1.29 t=28840.0ps kin=1.47 pot=20.24 Rg=6.626 SPS=1395
bl=2685 pos[1]=[-20.4 1.2 -3.1] dr=1.36 t=28850.0ps kin=1.49 pot=20.25 Rg=6.565 SPS=1349
bl=2686 pos[1]=[-20.8 -0.7 -5.0] dr=1.37 t=28860.0ps kin=1.58 pot=20.22 Rg=6.579 SPS=1215
bl=2687 pos[1]=[-20.0 -0.8 -3.6] dr=1.35 t=28870.0ps kin=1.46 pot=20.25 Rg=6.634 SPS=1199
bl=2688 pos[1]=[-19.5 1.8 -5.0] dr=1.36 t=28880.0ps kin=1.51 pot=20.27 Rg=6.581 SPS=1187
bl=2689 pos[1]=[-20.4 2.1 -4.9] dr=1.32 t=28890.0ps kin=1.52 pot=20.27 Rg=6.576 SPS=1302
bl=2690 pos[1]=[-22.2 -0.7 -5.0] dr=1.36 t=28900.0ps kin=1.53 pot=20.28 Rg=6.642 SPS=1061
bl=2691 pos[1]=[-20.1 0.4 -5.4] dr=1.35 t=28910.0ps kin=1.49 pot=20.26 Rg=6.597 SPS=1394
bl=2692 pos[1]=[-19.2 -1.1 -5.7] dr=1.34 t=28920.0ps kin=1.48 pot=20.27 Rg=6.563 SPS=1146
bl=2693 pos[1]=[-19.1 -1.1 -6.5] dr=1.32 t=28930.0ps kin=1.50 pot=20.24 Rg=6.538 SPS=1377
bl=2694 pos[1]=[-18.3 -1.9 -4.6] dr=1.36 t=28940.0ps kin=1.52 pot=20.22 Rg=6.482 SPS=1359
bl=2695 pos[1]=[-18.5 -1.9 -2.9] dr=1.36 t=28950.0ps kin=1.45 pot=20.25 Rg=6.524 SPS=1337
bl=2696 pos[1]=[-17.9 -0.9 -3.7] dr=1.35 t=28960.0ps kin=1.53 pot=20.20 Rg=6.438 SPS=1220
bl=2697 pos[1]=[-17.1 -0.7 -3.3] dr=1.37 t=28970.0ps kin=1.50 pot=20.24 Rg=6.432 SPS=1227
bl=2698 pos[1]=[-17.8 -2.2 -3.2] dr=1.32 t=28980.0ps kin=1.51 pot=20.28 Rg=6.519 SPS=1334
bl=2699 pos[1]=[-17.1 -1.5 -2.7] dr=1.37 t=28990.0ps kin=1.55 pot=20.23 Rg=6.454 SPS=1323
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.31779198 -2.72368039 -6.64080016] Rg = 6.4537053
median bond size is 0.9653262343157174
three shortest/longest (<10)/ bonds are [0.87956946 0.88671103 0.8876488 ] [1.07456376 1.0802353 1.08283823]
95 percentile of distance to center is: 9.068313118697922
density of closest 95% monomers is: 0.41239668278563774
density of the core monomers is: 0.7207098836264584
min/median/mean/max coordinates are:
x: -24.48, -15.24, -15.32, -7.08
y: -13.37, -2.65, -2.72, 6.11
z: -16.74, -6.64, -6.64, 2.89
Statistics for velocities:
mean kinetic energy is: 1.550553375391587 should be: 1.5
fastest particles are (in kT): [7.31511735 7.60980318 7.95908775 8.86171328 9.33010346]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.23441965108776
bl=2700 pos[1]=[-17.3 0.5 -2.9] dr=1.37 t=29000.0ps kin=1.50 pot=20.31 Rg=6.519 SPS=1307
bl=2701 pos[1]=[-17.8 -0.2 -3.1] dr=1.40 t=29010.0ps kin=1.49 pot=20.28 Rg=6.443 SPS=1313
bl=2702 pos[1]=[-17.3 -0.4 -2.6] dr=1.34 t=29020.0ps kin=1.52 pot=20.24 Rg=6.422 SPS=1257
bl=2703 pos[1]=[-17.3 -0.8 -3.1] dr=1.34 t=29030.0ps kin=1.47 pot=20.29 Rg=6.503 SPS=1311
bl=2704 pos[1]=[-17.5 -0.3 -3.2] dr=1.35 t=29040.0ps kin=1.53 pot=20.27 Rg=6.466 SPS=1310
bl=2705 pos[1]=[-17.6 -1.1 -4.8] dr=1.31 t=29050.0ps kin=1.48 pot=20.27 Rg=6.455 SPS=1306
bl=2706 pos[1]=[-17.2 -1.4 -4.8] dr=1.30 t=29060.0ps kin=1.49 pot=20.16 Rg=6.388 SPS=1313
bl=2707 pos[1]=[-17.6 -0.5 -5.4] dr=1.37 t=29070.0ps kin=1.50 pot=20.23 Rg=6.425 SPS=1328
bl=2708 pos[1]=[-18.5 -1.2 -5.9] dr=1.40 t=29080.0ps kin=1.53 pot=20.25 Rg=6.517 SPS=1311
bl=2709 pos[1]=[-18.7 -1.5 -5.9] dr=1.35 t=29090.0ps kin=1.54 pot=20.31 Rg=6.474 SPS=1297
bl=2710 pos[1]=[-18.1 -2.4 -5.2] dr=1.36 t=29100.0ps kin=1.53 pot=20.24 Rg=6.443 SPS=1314
bl=2711 pos[1]=[-18.2 -1.5 -4.0] dr=1.36 t=29110.0ps kin=1.44 pot=20.24 Rg=6.510 SPS=1318
bl=2712 pos[1]=[-17.5 -2.7 -4.1] dr=1.37 t=29120.0ps kin=1.53 pot=20.26 Rg=6.486 SPS=1224
bl=2713 pos[1]=[-17.2 -1.2 -4.6] dr=1.34 t=29130.0ps kin=1.53 pot=20.20 Rg=6.482 SPS=1300
bl=2714 pos[1]=[-16.6 -1.4 -5.0] dr=1.34 t=29140.0ps kin=1.56 pot=20.23 Rg=6.471 SPS=1336
bl=2715 pos[1]=[-15.8 -1.2 -4.8] dr=1.36 t=29150.0ps kin=1.52 pot=20.25 Rg=6.429 SPS=1056
bl=2716 pos[1]=[-17.0 -1.8 -4.6] dr=1.28 t=29160.0ps kin=1.53 pot=20.21 Rg=6.479 SPS=1093
bl=2717 pos[1]=[-17.1 -1.0 -4.1] dr=1.33 t=29170.0ps kin=1.53 pot=20.24 Rg=6.500 SPS=1329
bl=2718 pos[1]=[-17.3 -0.9 -5.5] dr=1.36 t=29180.0ps kin=1.48 pot=20.23 Rg=6.440 SPS=1307
bl=2719 pos[1]=[-16.6 -0.2 -5.7] dr=1.35 t=29190.0ps kin=1.46 pot=20.28 Rg=6.442 SPS=1214
bl=2720 pos[1]=[-16.1 -0.6 -5.7] dr=1.31 t=29200.0ps kin=1.56 pot=20.22 Rg=6.420 SPS=1333
bl=2721 pos[1]=[-17.2 1.2 -5.7] dr=1.32 t=29210.0ps kin=1.49 pot=20.27 Rg=6.431 SPS=1363
bl=2722 pos[1]=[-15.4 -0.9 -5.6] dr=1.28 t=29220.0ps kin=1.57 pot=20.17 Rg=6.398 SPS=1297
bl=2723 pos[1]=[-15.7 -1.6 -4.7] dr=1.31 t=29230.0ps kin=1.49 pot=20.22 Rg=6.481 SPS=1320
bl=2724 pos[1]=[-15.8 -1.8 -5.2] dr=1.31 t=29240.0ps kin=1.46 pot=20.29 Rg=6.506 SPS=1275
bl=2725 pos[1]=[-16.8 -2.1 -5.6] dr=1.38 t=29250.0ps kin=1.43 pot=20.26 Rg=6.518 SPS=975
bl=2726 pos[1]=[-18.6 -3.1 -6.4] dr=1.30 t=29260.0ps kin=1.43 pot=20.20 Rg=6.412 SPS=929
bl=2727 pos[1]=[-18.3 -1.8 -5.4] dr=1.32 t=29270.0ps kin=1.50 pot=20.21 Rg=6.410 SPS=1104
bl=2728 pos[1]=[-18.4 -1.1 -6.4] dr=1.30 t=29280.0ps kin=1.50 pot=20.23 Rg=6.402 SPS=702
bl=2729 pos[1]=[-18.4 -1.7 -6.1] dr=1.32 t=29290.0ps kin=1.46 pot=20.20 Rg=6.447 SPS=871
bl=2730 pos[1]=[-18.0 -2.4 -6.6] dr=1.25 t=29300.0ps kin=1.51 pot=20.29 Rg=6.419 SPS=1150
bl=2731 pos[1]=[-16.5 -3.3 -6.5] dr=1.40 t=29310.0ps kin=1.50 pot=20.29 Rg=6.407 SPS=1143
bl=2732 pos[1]=[-14.1 -3.7 -7.1] dr=1.34 t=29320.0ps kin=1.53 pot=20.21 Rg=6.382 SPS=1344
bl=2733 pos[1]=[-15.5 -3.0 -6.2] dr=1.32 t=29330.0ps kin=1.48 pot=20.23 Rg=6.410 SPS=1315
bl=2734 pos[1]=[-16.2 -3.2 -6.1] dr=1.30 t=29340.0ps kin=1.49 pot=20.26 Rg=6.474 SPS=1353
bl=2735 pos[1]=[-15.8 -3.5 -7.6] dr=1.33 t=29350.0ps kin=1.52 pot=20.24 Rg=6.432 SPS=1333
bl=2736 pos[1]=[-13.6 -3.5 -7.5] dr=1.31 t=29360.0ps kin=1.48 pot=20.25 Rg=6.478 SPS=1301
bl=2737 pos[1]=[-15.7 -3.3 -6.4] dr=1.35 t=29370.0ps kin=1.55 pot=20.25 Rg=6.516 SPS=971
bl=2738 pos[1]=[-14.3 -2.8 -6.1] dr=1.39 t=29380.0ps kin=1.49 pot=20.29 Rg=6.560 SPS=1136
bl=2739 pos[1]=[-14.4 -2.6 -7.1] dr=1.33 t=29390.0ps kin=1.49 pot=20.26 Rg=6.555 SPS=1384
bl=2740 pos[1]=[-15.3 -2.7 -5.3] dr=1.34 t=29400.0ps kin=1.49 pot=20.18 Rg=6.499 SPS=1253
bl=2741 pos[1]=[-15.3 -3.1 -5.8] dr=1.30 t=29410.0ps kin=1.52 pot=20.20 Rg=6.587 SPS=992
bl=2742 pos[1]=[-15.1 -2.5 -6.1] dr=1.37 t=29420.0ps kin=1.53 pot=20.20 Rg=6.492 SPS=982
bl=2743 pos[1]=[-14.8 -2.5 -6.9] dr=1.28 t=29430.0ps kin=1.47 pot=20.19 Rg=6.487 SPS=942
bl=2744 pos[1]=[-14.7 -2.3 -6.8] dr=1.33 t=29440.0ps kin=1.47 pot=20.25 Rg=6.501 SPS=780
bl=2745 pos[1]=[-15.0 -3.3 -8.4] dr=1.33 t=29450.0ps kin=1.49 pot=20.26 Rg=6.499 SPS=1196
bl=2746 pos[1]=[-16.0 -2.7 -8.5] dr=1.31 t=29460.0ps kin=1.53 pot=20.29 Rg=6.509 SPS=938
bl=2747 pos[1]=[-15.6 -1.9 -9.4] dr=1.37 t=29470.0ps kin=1.48 pot=20.26 Rg=6.528 SPS=786
bl=2748 pos[1]=[-16.3 -1.2 -8.6] dr=1.39 t=29480.0ps kin=1.54 pot=20.20 Rg=6.459 SPS=922
bl=2749 pos[1]=[-16.7 0.6 -8.5] dr=1.31 t=29490.0ps kin=1.48 pot=20.21 Rg=6.504 SPS=784
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.23432794 -2.08441692 -6.45090196] Rg = 6.5035644
median bond size is 0.9647216164183776
three shortest/longest (<10)/ bonds are [0.88504105 0.88666361 0.89172055] [1.07288022 1.07535925 1.07946293]
95 percentile of distance to center is: 9.216880446588277
density of closest 95% monomers is: 0.39277408251078744
density of the core monomers is: 0.6738572597912442
min/median/mean/max coordinates are:
x: -23.58, -15.48, -15.23, -7.34
y: -12.21, -2.02, -2.08, 8.30
z: -13.77, -6.42, -6.45, 2.19
Statistics for velocities:
mean kinetic energy is: 1.4905702774071987 should be: 1.5
fastest particles are (in kT): [6.98689194 7.29361657 7.60911989 7.83631839 8.68820616]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.21469395280236
bl=2750 pos[1]=[-17.3 -0.3 -9.0] dr=1.29 t=29500.0ps kin=1.45 pot=20.19 Rg=6.492 SPS=994
bl=2751 pos[1]=[-16.4 -0.1 -9.1] dr=1.31 t=29510.0ps kin=1.49 pot=20.17 Rg=6.471 SPS=1191
bl=2752 pos[1]=[-17.1 0.2 -8.6] dr=1.36 t=29520.0ps kin=1.47 pot=20.23 Rg=6.518 SPS=1329
bl=2753 pos[1]=[-18.0 0.2 -11.0] dr=1.33 t=29530.0ps kin=1.47 pot=20.23 Rg=6.488 SPS=1314
bl=2754 pos[1]=[-17.9 -0.1 -9.7] dr=1.32 t=29540.0ps kin=1.45 pot=20.21 Rg=6.474 SPS=1271
bl=2755 pos[1]=[-17.2 1.4 -10.9] dr=1.32 t=29550.0ps kin=1.51 pot=20.26 Rg=6.478 SPS=1349
bl=2756 pos[1]=[-18.4 0.7 -12.1] dr=1.39 t=29560.0ps kin=1.53 pot=20.25 Rg=6.507 SPS=1336
bl=2757 pos[1]=[-19.4 0.8 -13.1] dr=1.34 t=29570.0ps kin=1.51 pot=20.26 Rg=6.455 SPS=1349
bl=2758 pos[1]=[-18.8 0.7 -11.8] dr=1.32 t=29580.0ps kin=1.44 pot=20.29 Rg=6.461 SPS=1326
bl=2759 pos[1]=[-18.8 0.4 -12.9] dr=1.33 t=29590.0ps kin=1.47 pot=20.22 Rg=6.453 SPS=1297
bl=2760 pos[1]=[-19.2 1.4 -10.3] dr=1.32 t=29600.0ps kin=1.48 pot=20.20 Rg=6.485 SPS=1325
bl=2761 pos[1]=[-18.6 0.2 -9.3] dr=1.29 t=29610.0ps kin=1.51 pot=20.19 Rg=6.437 SPS=1307
bl=2762 pos[1]=[-18.8 0.5 -9.9] dr=1.30 t=29620.0ps kin=1.43 pot=20.27 Rg=6.453 SPS=1306
bl=2763 pos[1]=[-18.6 1.0 -10.5] dr=1.33 t=29630.0ps kin=1.52 pot=20.24 Rg=6.528 SPS=1308
bl=2764 pos[1]=[-19.4 1.3 -11.8] dr=1.41 t=29640.0ps kin=1.47 pot=20.25 Rg=6.449 SPS=1272
bl=2765 pos[1]=[-21.4 2.6 -11.2] dr=1.37 t=29650.0ps kin=1.47 pot=20.24 Rg=6.457 SPS=1307
bl=2766 pos[1]=[-19.6 1.9 -13.3] dr=1.29 t=29660.0ps kin=1.50 pot=20.17 Rg=6.498 SPS=1320
bl=2767 pos[1]=[-19.4 4.2 -13.4] dr=1.37 t=29670.0ps kin=1.46 pot=20.21 Rg=6.494 SPS=1296
bl=2768 pos[1]=[-18.3 4.7 -11.8] dr=1.27 t=29680.0ps kin=1.51 pot=20.15 Rg=6.467 SPS=1329
bl=2769 pos[1]=[-18.3 5.4 -11.6] dr=1.34 t=29690.0ps kin=1.48 pot=20.16 Rg=6.511 SPS=1311
bl=2770 pos[1]=[-18.4 5.6 -12.6] dr=1.31 t=29700.0ps kin=1.44 pot=20.23 Rg=6.460 SPS=1046
bl=2771 pos[1]=[-21.8 3.4 -10.7] dr=1.34 t=29710.0ps kin=1.49 pot=20.22 Rg=6.550 SPS=1300
bl=2772 pos[1]=[-21.3 3.6 -11.1] dr=1.33 t=29720.0ps kin=1.51 pot=20.21 Rg=6.602 SPS=1343
bl=2773 pos[1]=[-18.6 2.6 -12.3] dr=1.35 t=29730.0ps kin=1.50 pot=20.23 Rg=6.532 SPS=1274
bl=2774 pos[1]=[-17.5 2.8 -10.3] dr=1.31 t=29740.0ps kin=1.48 pot=20.24 Rg=6.491 SPS=1344
bl=2775 pos[1]=[-18.0 4.0 -10.7] dr=1.33 t=29750.0ps kin=1.52 pot=20.21 Rg=6.563 SPS=844
bl=2776 pos[1]=[-18.7 3.9 -10.5] dr=1.32 t=29760.0ps kin=1.48 pot=20.21 Rg=6.533 SPS=1186
bl=2777 pos[1]=[-19.2 3.9 -10.3] dr=1.32 t=29770.0ps kin=1.52 pot=20.20 Rg=6.515 SPS=930
bl=2778 pos[1]=[-18.9 4.9 -10.6] dr=1.34 t=29780.0ps kin=1.47 pot=20.25 Rg=6.570 SPS=1092
bl=2779 pos[1]=[-18.6 5.9 -11.1] dr=1.34 t=29790.0ps kin=1.54 pot=20.16 Rg=6.503 SPS=1287
bl=2780 pos[1]=[-18.3 7.2 -9.6] dr=1.41 t=29800.0ps kin=1.54 pot=20.19 Rg=6.467 SPS=1000
bl=2781 pos[1]=[-18.5 5.7 -8.3] dr=1.36 t=29810.0ps kin=1.50 pot=20.22 Rg=6.504 SPS=1158
bl=2782 pos[1]=[-20.9 5.3 -8.9] dr=1.31 t=29820.0ps kin=1.52 pot=20.23 Rg=6.448 SPS=1184
bl=2783 pos[1]=[-20.5 4.8 -8.4] dr=1.35 t=29830.0ps kin=1.48 pot=20.23 Rg=6.454 SPS=1305
bl=2784 pos[1]=[-19.8 5.6 -9.0] dr=1.31 t=29840.0ps kin=1.55 pot=20.18 Rg=6.454 SPS=953
bl=2785 pos[1]=[-20.1 5.7 -8.8] dr=1.32 t=29850.0ps kin=1.45 pot=20.21 Rg=6.421 SPS=700
bl=2786 pos[1]=[-20.9 5.5 -10.0] dr=1.32 t=29860.0ps kin=1.46 pot=20.21 Rg=6.472 SPS=930
bl=2787 pos[1]=[-19.7 4.3 -11.5] dr=1.32 t=29870.0ps kin=1.47 pot=20.22 Rg=6.404 SPS=1025
bl=2788 pos[1]=[-20.0 5.5 -10.9] dr=1.31 t=29880.0ps kin=1.46 pot=20.24 Rg=6.453 SPS=1027
bl=2789 pos[1]=[-17.1 4.5 -9.9] dr=1.36 t=29890.0ps kin=1.49 pot=20.14 Rg=6.391 SPS=1307
bl=2790 pos[1]=[-19.0 4.3 -11.0] dr=1.31 t=29900.0ps kin=1.48 pot=20.13 Rg=6.345 SPS=736
bl=2791 pos[1]=[-19.3 4.3 -12.3] dr=1.32 t=29910.0ps kin=1.49 pot=20.15 Rg=6.443 SPS=935
bl=2792 pos[1]=[-17.9 3.6 -11.6] dr=1.33 t=29920.0ps kin=1.50 pot=20.16 Rg=6.410 SPS=1075
bl=2793 pos[1]=[-17.8 1.8 -10.5] dr=1.27 t=29930.0ps kin=1.46 pot=20.22 Rg=6.451 SPS=1273
bl=2794 pos[1]=[-18.7 2.0 -10.5] dr=1.35 t=29940.0ps kin=1.54 pot=20.20 Rg=6.521 SPS=1312
bl=2795 pos[1]=[-19.0 0.9 -9.8] dr=1.37 t=29950.0ps kin=1.55 pot=20.19 Rg=6.525 SPS=1328
bl=2796 pos[1]=[-18.0 -0.1 -9.6] dr=1.32 t=29960.0ps kin=1.54 pot=20.22 Rg=6.533 SPS=1323
bl=2797 pos[1]=[-18.3 0.7 -10.1] dr=1.29 t=29970.0ps kin=1.53 pot=20.25 Rg=6.580 SPS=1312
bl=2798 pos[1]=[-18.3 2.5 -11.7] dr=1.34 t=29980.0ps kin=1.50 pot=20.26 Rg=6.578 SPS=1339
bl=2799 pos[1]=[-18.6 3.0 -11.9] dr=1.33 t=29990.0ps kin=1.57 pot=20.23 Rg=6.604 SPS=1337
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-18.00970794 -2.30073559 -7.42436236] Rg = 6.6039934
median bond size is 0.9652314255705323
three shortest/longest (<10)/ bonds are [0.87283636 0.88037742 0.88380052] [1.08846231 1.09551343 1.10083784]
95 percentile of distance to center is: 9.569672299462281
density of closest 95% monomers is: 0.35091625582258107
density of the core monomers is: 0.7174361667048842
min/median/mean/max coordinates are:
x: -27.68, -17.92, -18.01, -10.27
y: -11.39, -2.10, -2.30, 6.47
z: -15.26, -7.58, -7.42, 0.69
Statistics for velocities:
mean kinetic energy is: 1.5732198858503148 should be: 1.5
fastest particles are (in kT): [7.54293771 7.6713357 8.00899988 8.01954311 8.05135927]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.23306427452065
bl=2800 pos[1]=[-19.2 5.5 -12.5] dr=1.32 t=30000.0ps kin=1.54 pot=20.28 Rg=6.678 SPS=1343
bl=2801 pos[1]=[-19.4 7.5 -12.3] dr=1.39 t=30010.0ps kin=1.52 pot=20.23 Rg=6.750 SPS=1403
bl=2802 pos[1]=[-22.1 6.7 -15.4] dr=1.36 t=30020.0ps kin=1.55 pot=20.23 Rg=6.758 SPS=1361
bl=2803 pos[1]=[-22.1 6.7 -14.8] dr=1.37 t=30030.0ps kin=1.44 pot=20.23 Rg=6.803 SPS=1367
bl=2804 pos[1]=[-22.6 8.1 -14.3] dr=1.27 t=30040.0ps kin=1.51 pot=20.27 Rg=6.753 SPS=1408
bl=2805 pos[1]=[-24.6 6.0 -12.6] dr=1.34 t=30050.0ps kin=1.48 pot=20.23 Rg=6.728 SPS=1374
bl=2806 pos[1]=[-22.8 5.8 -10.7] dr=1.32 t=30060.0ps kin=1.48 pot=20.20 Rg=6.613 SPS=1318
bl=2807 pos[1]=[-22.2 5.6 -10.4] dr=1.32 t=30070.0ps kin=1.49 pot=20.20 Rg=6.556 SPS=1333
bl=2808 pos[1]=[-24.1 5.8 -10.4] dr=1.35 t=30080.0ps kin=1.51 pot=20.23 Rg=6.545 SPS=1299
bl=2809 pos[1]=[-22.1 7.0 -10.8] dr=1.38 t=30090.0ps kin=1.57 pot=20.32 Rg=6.605 SPS=1282
bl=2810 pos[1]=[-20.1 6.8 -11.7] dr=1.37 t=30100.0ps kin=1.53 pot=20.26 Rg=6.671 SPS=1358
bl=2811 pos[1]=[-19.1 7.0 -9.3] dr=1.37 t=30110.0ps kin=1.51 pot=20.23 Rg=6.583 SPS=1334
bl=2812 pos[1]=[-19.3 6.0 -10.2] dr=1.36 t=30120.0ps kin=1.53 pot=20.23 Rg=6.515 SPS=1321
bl=2813 pos[1]=[-19.6 5.1 -10.4] dr=1.31 t=30130.0ps kin=1.59 pot=20.17 Rg=6.535 SPS=1290
bl=2814 pos[1]=[-18.0 5.3 -11.5] dr=1.31 t=30140.0ps kin=1.49 pot=20.24 Rg=6.458 SPS=1309
bl=2815 pos[1]=[-19.8 6.9 -11.7] dr=1.26 t=30150.0ps kin=1.45 pot=20.32 Rg=6.520 SPS=1292
bl=2816 pos[1]=[-17.7 7.0 -11.5] dr=1.31 t=30160.0ps kin=1.52 pot=20.35 Rg=6.578 SPS=1338
bl=2817 pos[1]=[-19.7 8.4 -13.2] dr=1.39 t=30170.0ps kin=1.52 pot=20.26 Rg=6.621 SPS=1312
bl=2818 pos[1]=[-21.2 5.1 -13.7] dr=1.42 t=30180.0ps kin=1.54 pot=20.28 Rg=6.545 SPS=1343
bl=2819 pos[1]=[-20.6 4.5 -12.5] dr=1.41 t=30190.0ps kin=1.49 pot=20.26 Rg=6.464 SPS=1303
bl=2820 pos[1]=[-20.0 2.8 -11.4] dr=1.30 t=30200.0ps kin=1.49 pot=20.23 Rg=6.504 SPS=1139
bl=2821 pos[1]=[-18.7 4.6 -13.0] dr=1.34 t=30210.0ps kin=1.51 pot=20.20 Rg=6.410 SPS=1130
bl=2822 pos[1]=[-19.0 4.6 -13.2] dr=1.29 t=30220.0ps kin=1.56 pot=20.18 Rg=6.411 SPS=1195
bl=2823 pos[1]=[-20.8 6.0 -10.8] dr=1.34 t=30230.0ps kin=1.54 pot=20.24 Rg=6.443 SPS=1309
bl=2824 pos[1]=[-20.1 6.2 -12.4] dr=1.29 t=30240.0ps kin=1.57 pot=20.14 Rg=6.426 SPS=1332
bl=2825 pos[1]=[-17.4 3.4 -11.5] dr=1.30 t=30250.0ps kin=1.52 pot=20.20 Rg=6.393 SPS=1304
bl=2826 pos[1]=[-17.7 5.6 -11.4] dr=1.34 t=30260.0ps kin=1.46 pot=20.20 Rg=6.417 SPS=1324
bl=2827 pos[1]=[-18.2 7.1 -12.0] dr=1.30 t=30270.0ps kin=1.51 pot=20.19 Rg=6.419 SPS=1306
bl=2828 pos[1]=[-20.3 6.7 -12.6] dr=1.33 t=30280.0ps kin=1.47 pot=20.21 Rg=6.438 SPS=1319
bl=2829 pos[1]=[-20.1 5.8 -12.7] dr=1.34 t=30290.0ps kin=1.47 pot=20.22 Rg=6.436 SPS=1330
bl=2830 pos[1]=[-21.9 3.4 -12.0] dr=1.39 t=30300.0ps kin=1.49 pot=20.24 Rg=6.431 SPS=1328
bl=2831 pos[1]=[-20.0 2.7 -11.7] dr=1.28 t=30310.0ps kin=1.49 pot=20.19 Rg=6.366 SPS=1318
bl=2832 pos[1]=[-21.0 2.9 -9.3] dr=1.34 t=30320.0ps kin=1.56 pot=20.17 Rg=6.391 SPS=1292
bl=2833 pos[1]=[-20.8 3.7 -10.0] dr=1.28 t=30330.0ps kin=1.47 pot=20.16 Rg=6.437 SPS=1316
bl=2834 pos[1]=[-22.5 2.3 -12.3] dr=1.29 t=30340.0ps kin=1.45 pot=20.19 Rg=6.441 SPS=1315
bl=2835 pos[1]=[-24.8 1.6 -12.3] dr=1.28 t=30350.0ps kin=1.53 pot=20.16 Rg=6.404 SPS=1307
bl=2836 pos[1]=[-25.6 1.0 -11.6] dr=1.37 t=30360.0ps kin=1.57 pot=20.23 Rg=6.432 SPS=1321
bl=2837 pos[1]=[-22.0 0.4 -13.2] dr=1.35 t=30370.0ps kin=1.56 pot=20.17 Rg=6.485 SPS=1336
bl=2838 pos[1]=[-23.8 0.1 -11.8] dr=1.34 t=30380.0ps kin=1.50 pot=20.22 Rg=6.395 SPS=1336
bl=2839 pos[1]=[-25.9 0.9 -11.0] dr=1.33 t=30390.0ps kin=1.47 pot=20.22 Rg=6.537 SPS=1332
bl=2840 pos[1]=[-24.2 0.7 -13.2] dr=1.35 t=30400.0ps kin=1.53 pot=20.21 Rg=6.530 SPS=1398
bl=2841 pos[1]=[-26.1 -1.7 -14.9] dr=1.30 t=30410.0ps kin=1.48 pot=20.22 Rg=6.553 SPS=1345
bl=2842 pos[1]=[-23.6 -1.6 -16.4] dr=1.39 t=30420.0ps kin=1.47 pot=20.22 Rg=6.611 SPS=1344
bl=2843 pos[1]=[-21.8 -0.2 -15.8] dr=1.28 t=30430.0ps kin=1.48 pot=20.28 Rg=6.570 SPS=1332
bl=2844 pos[1]=[-22.8 -1.6 -17.7] dr=1.29 t=30440.0ps kin=1.49 pot=20.19 Rg=6.468 SPS=1327
bl=2845 pos[1]=[-22.4 -1.9 -18.3] dr=1.33 t=30450.0ps kin=1.46 pot=20.20 Rg=6.484 SPS=1329
bl=2846 pos[1]=[-22.6 -2.9 -17.7] dr=1.40 t=30460.0ps kin=1.48 pot=20.27 Rg=6.518 SPS=1328
bl=2847 pos[1]=[-22.9 -4.9 -14.3] dr=1.36 t=30470.0ps kin=1.52 pot=20.19 Rg=6.424 SPS=1302
bl=2848 pos[1]=[-21.4 -4.8 -15.1] dr=1.35 t=30480.0ps kin=1.47 pot=20.27 Rg=6.478 SPS=1324
bl=2849 pos[1]=[-18.8 -4.9 -15.3] dr=1.25 t=30490.0ps kin=1.59 pot=20.14 Rg=6.486 SPS=1312
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-17.56891983 -3.98924776 -8.27117408] Rg = 6.485737
median bond size is 0.9647600847385747
three shortest/longest (<10)/ bonds are [0.87338753 0.8763234 0.87886972] [1.07211283 1.07302058 1.09572837]
95 percentile of distance to center is: 9.12953367417683
density of closest 95% monomers is: 0.4041558793522722
density of the core monomers is: 0.73257796430725
min/median/mean/max coordinates are:
x: -24.74, -17.72, -17.57, -9.64
y: -13.14, -4.15, -3.99, 7.73
z: -16.96, -8.14, -8.27, -0.46
Statistics for velocities:
mean kinetic energy is: 1.5948137578468269 should be: 1.5
fastest particles are (in kT): [ 7.03239168 8.16856909 8.33203253 10.21310228 11.31689728]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.13836939988938
bl=2850 pos[1]=[-19.4 -5.7 -17.2] dr=1.39 t=30500.0ps kin=1.45 pot=20.26 Rg=6.487 SPS=1324
bl=2851 pos[1]=[-20.5 -5.4 -14.1] dr=1.40 t=30510.0ps kin=1.54 pot=20.24 Rg=6.508 SPS=1338
bl=2852 pos[1]=[-20.1 -6.3 -15.1] dr=1.35 t=30520.0ps kin=1.53 pot=20.23 Rg=6.474 SPS=1339
bl=2853 pos[1]=[-21.3 -6.4 -15.9] dr=1.38 t=30530.0ps kin=1.53 pot=20.23 Rg=6.384 SPS=1234
bl=2854 pos[1]=[-23.3 -7.6 -15.0] dr=1.32 t=30540.0ps kin=1.54 pot=20.27 Rg=6.449 SPS=1302
bl=2855 pos[1]=[-23.4 -5.9 -15.4] dr=1.34 t=30550.0ps kin=1.49 pot=20.22 Rg=6.447 SPS=1326
bl=2856 pos[1]=[-22.1 -5.7 -15.3] dr=1.38 t=30560.0ps kin=1.53 pot=20.23 Rg=6.380 SPS=1124
bl=2857 pos[1]=[-21.4 -4.7 -13.8] dr=1.36 t=30570.0ps kin=1.50 pot=20.22 Rg=6.428 SPS=1309
bl=2858 pos[1]=[-21.7 -4.5 -15.1] dr=1.30 t=30580.0ps kin=1.50 pot=20.16 Rg=6.424 SPS=1330
bl=2859 pos[1]=[-21.8 -4.0 -15.1] dr=1.28 t=30590.0ps kin=1.49 pot=20.22 Rg=6.432 SPS=1300
bl=2860 pos[1]=[-21.5 -2.0 -15.0] dr=1.30 t=30600.0ps kin=1.52 pot=20.24 Rg=6.369 SPS=1061
bl=2861 pos[1]=[-20.6 -3.0 -14.6] dr=1.31 t=30610.0ps kin=1.47 pot=20.24 Rg=6.417 SPS=1314
bl=2862 pos[1]=[-20.6 -2.4 -16.5] dr=1.37 t=30620.0ps kin=1.46 pot=20.26 Rg=6.471 SPS=1369
bl=2863 pos[1]=[-18.6 -3.1 -14.9] dr=1.35 t=30630.0ps kin=1.49 pot=20.30 Rg=6.419 SPS=1371
bl=2864 pos[1]=[-19.3 -3.3 -16.0] dr=1.33 t=30640.0ps kin=1.45 pot=20.24 Rg=6.414 SPS=1353
bl=2865 pos[1]=[-18.8 -3.6 -13.7] dr=1.32 t=30650.0ps kin=1.55 pot=20.17 Rg=6.390 SPS=1321
bl=2866 pos[1]=[-18.8 -3.9 -12.4] dr=1.24 t=30660.0ps kin=1.52 pot=20.20 Rg=6.460 SPS=1329
bl=2867 pos[1]=[-17.8 -3.9 -11.4] dr=1.30 t=30670.0ps kin=1.46 pot=20.28 Rg=6.408 SPS=1298
bl=2868 pos[1]=[-18.8 -3.0 -11.0] dr=1.35 t=30680.0ps kin=1.52 pot=20.31 Rg=6.424 SPS=1351
bl=2869 pos[1]=[-18.5 -3.1 -11.3] dr=1.37 t=30690.0ps kin=1.49 pot=20.22 Rg=6.383 SPS=1360
bl=2870 pos[1]=[-20.3 -4.2 -13.0] dr=1.38 t=30700.0ps kin=1.51 pot=20.24 Rg=6.402 SPS=1322
bl=2871 pos[1]=[-20.7 -4.0 -12.7] dr=1.36 t=30710.0ps kin=1.59 pot=20.25 Rg=6.352 SPS=1329
bl=2872 pos[1]=[-19.9 -3.7 -13.2] dr=1.34 t=30720.0ps kin=1.51 pot=20.23 Rg=6.366 SPS=1243
bl=2873 pos[1]=[-19.3 -2.6 -13.1] dr=1.28 t=30730.0ps kin=1.44 pot=20.22 Rg=6.375 SPS=1305
bl=2874 pos[1]=[-19.8 -2.6 -12.7] dr=1.34 t=30740.0ps kin=1.57 pot=20.13 Rg=6.347 SPS=1329
bl=2875 pos[1]=[-21.4 -2.4 -12.7] dr=1.31 t=30750.0ps kin=1.54 pot=20.15 Rg=6.363 SPS=1294
bl=2876 pos[1]=[-19.7 -3.7 -13.5] dr=1.31 t=30760.0ps kin=1.47 pot=20.15 Rg=6.353 SPS=1338
bl=2877 pos[1]=[-19.1 -2.9 -14.8] dr=1.33 t=30770.0ps kin=1.48 pot=20.18 Rg=6.364 SPS=1322
bl=2878 pos[1]=[-20.8 -2.8 -14.6] dr=1.33 t=30780.0ps kin=1.48 pot=20.19 Rg=6.353 SPS=1304
bl=2879 pos[1]=[-19.8 -1.6 -13.0] dr=1.29 t=30790.0ps kin=1.49 pot=20.27 Rg=6.401 SPS=1283
bl=2880 pos[1]=[-19.6 -3.2 -13.6] dr=1.31 t=30800.0ps kin=1.53 pot=20.18 Rg=6.442 SPS=1330
bl=2881 pos[1]=[-18.2 -2.3 -13.3] dr=1.31 t=30810.0ps kin=1.50 pot=20.21 Rg=6.377 SPS=1325
bl=2882 pos[1]=[-17.3 -3.8 -13.1] dr=1.26 t=30820.0ps kin=1.45 pot=20.22 Rg=6.377 SPS=1308
bl=2883 pos[1]=[-17.4 -3.1 -14.6] dr=1.35 t=30830.0ps kin=1.46 pot=20.24 Rg=6.411 SPS=1201
bl=2884 pos[1]=[-17.2 -3.5 -13.9] dr=1.35 t=30840.0ps kin=1.49 pot=20.23 Rg=6.450 SPS=1319
bl=2885 pos[1]=[-16.8 -3.6 -14.0] dr=1.26 t=30850.0ps kin=1.53 pot=20.29 Rg=6.463 SPS=1318
bl=2886 pos[1]=[-17.1 -4.1 -14.6] dr=1.34 t=30860.0ps kin=1.57 pot=20.24 Rg=6.517 SPS=1314
bl=2887 pos[1]=[-16.6 -4.7 -14.0] dr=1.38 t=30870.0ps kin=1.44 pot=20.22 Rg=6.530 SPS=1297
bl=2888 pos[1]=[-15.4 -3.1 -14.3] dr=1.30 t=30880.0ps kin=1.53 pot=20.14 Rg=6.561 SPS=1313
bl=2889 pos[1]=[-14.5 -3.0 -13.5] dr=1.34 t=30890.0ps kin=1.47 pot=20.22 Rg=6.621 SPS=1322
bl=2890 pos[1]=[-17.1 -1.9 -13.8] dr=1.42 t=30900.0ps kin=1.54 pot=20.22 Rg=6.633 SPS=1297
bl=2891 pos[1]=[-18.1 -3.6 -15.0] dr=1.32 t=30910.0ps kin=1.55 pot=20.26 Rg=6.623 SPS=1339
bl=2892 pos[1]=[-19.1 -4.9 -14.9] dr=1.29 t=30920.0ps kin=1.52 pot=20.27 Rg=6.596 SPS=1308
bl=2893 pos[1]=[-17.7 -4.2 -15.4] dr=1.33 t=30930.0ps kin=1.49 pot=20.30 Rg=6.628 SPS=1323
bl=2894 pos[1]=[-18.0 -4.0 -14.8] dr=1.32 t=30940.0ps kin=1.53 pot=20.25 Rg=6.627 SPS=1318
bl=2895 pos[1]=[-22.3 -3.5 -13.2] dr=1.30 t=30950.0ps kin=1.55 pot=20.23 Rg=6.630 SPS=1301
bl=2896 pos[1]=[-23.6 -1.9 -13.8] dr=1.39 t=30960.0ps kin=1.52 pot=20.26 Rg=6.706 SPS=1343
bl=2897 pos[1]=[-21.4 -2.2 -14.8] dr=1.30 t=30970.0ps kin=1.49 pot=20.21 Rg=6.586 SPS=1296
bl=2898 pos[1]=[-20.6 -1.3 -13.1] dr=1.31 t=30980.0ps kin=1.45 pot=20.23 Rg=6.537 SPS=1313
bl=2899 pos[1]=[-21.6 -1.4 -13.3] dr=1.27 t=30990.0ps kin=1.46 pot=20.23 Rg=6.502 SPS=1325
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.48299633 -3.63878584 -6.81730281] Rg = 6.5019455
median bond size is 0.9644255115010711
three shortest/longest (<10)/ bonds are [0.88663437 0.88947507 0.89067485] [1.10016543 1.12480102 1.14186443]
95 percentile of distance to center is: 9.281752129694976
density of closest 95% monomers is: 0.38459602074613986
density of the core monomers is: 0.7031610261801039
min/median/mean/max coordinates are:
x: -24.94, -16.32, -16.48, -8.45
y: -14.90, -3.62, -3.64, 6.86
z: -15.16, -6.85, -6.82, 1.87
Statistics for velocities:
mean kinetic energy is: 1.4635569221418847 should be: 1.5
fastest particles are (in kT): [6.88170016 7.01385287 7.08493977 7.21756182 7.84054241]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.22509477553466
bl=2900 pos[1]=[-20.1 -1.5 -13.7] dr=1.31 t=31000.0ps kin=1.51 pot=20.28 Rg=6.578 SPS=1307
bl=2901 pos[1]=[-20.4 0.3 -14.6] dr=1.38 t=31010.0ps kin=1.47 pot=20.21 Rg=6.500 SPS=1321
bl=2902 pos[1]=[-20.8 0.0 -14.1] dr=1.33 t=31020.0ps kin=1.45 pot=20.18 Rg=6.519 SPS=1310
bl=2903 pos[1]=[-20.4 0.9 -12.8] dr=1.29 t=31030.0ps kin=1.46 pot=20.22 Rg=6.533 SPS=1314
bl=2904 pos[1]=[-18.4 2.2 -11.8] dr=1.37 t=31040.0ps kin=1.51 pot=20.19 Rg=6.472 SPS=1313
bl=2905 pos[1]=[-17.9 1.2 -9.4] dr=1.35 t=31050.0ps kin=1.49 pot=20.26 Rg=6.512 SPS=1318
bl=2906 pos[1]=[-16.9 3.6 -8.9] dr=1.28 t=31060.0ps kin=1.49 pot=20.23 Rg=6.505 SPS=1325
bl=2907 pos[1]=[-16.9 3.4 -9.5] dr=1.32 t=31070.0ps kin=1.48 pot=20.20 Rg=6.546 SPS=1070
bl=2908 pos[1]=[-17.6 2.8 -10.6] dr=1.29 t=31080.0ps kin=1.51 pot=20.17 Rg=6.502 SPS=1151
bl=2909 pos[1]=[-19.4 3.0 -10.4] dr=1.27 t=31090.0ps kin=1.47 pot=20.19 Rg=6.489 SPS=1299
bl=2910 pos[1]=[-18.0 2.5 -9.5] dr=1.36 t=31100.0ps kin=1.54 pot=20.17 Rg=6.507 SPS=1306
bl=2911 pos[1]=[-15.9 2.4 -9.4] dr=1.30 t=31110.0ps kin=1.48 pot=20.23 Rg=6.436 SPS=1288
bl=2912 pos[1]=[-16.9 1.7 -9.7] dr=1.34 t=31120.0ps kin=1.49 pot=20.24 Rg=6.558 SPS=1315
bl=2913 pos[1]=[-16.8 2.1 -9.7] dr=1.34 t=31130.0ps kin=1.48 pot=20.22 Rg=6.481 SPS=1195
bl=2914 pos[1]=[-17.0 2.4 -9.1] dr=1.30 t=31140.0ps kin=1.43 pot=20.15 Rg=6.409 SPS=1329
bl=2915 pos[1]=[-17.7 0.8 -9.3] dr=1.28 t=31150.0ps kin=1.49 pot=20.18 Rg=6.448 SPS=1328
bl=2916 pos[1]=[-18.1 0.2 -9.1] dr=1.38 t=31160.0ps kin=1.49 pot=20.22 Rg=6.457 SPS=1290
bl=2917 pos[1]=[-17.5 1.8 -9.9] dr=1.29 t=31170.0ps kin=1.47 pot=20.16 Rg=6.467 SPS=1309
bl=2918 pos[1]=[-18.0 2.7 -10.7] dr=1.32 t=31180.0ps kin=1.51 pot=20.14 Rg=6.493 SPS=1299
bl=2919 pos[1]=[-18.3 2.7 -10.2] dr=1.29 t=31190.0ps kin=1.46 pot=20.19 Rg=6.510 SPS=1292
bl=2920 pos[1]=[-19.2 3.2 -10.5] dr=1.29 t=31200.0ps kin=1.52 pot=20.17 Rg=6.592 SPS=1319
bl=2921 pos[1]=[-19.2 3.1 -11.5] dr=1.30 t=31210.0ps kin=1.51 pot=20.24 Rg=6.558 SPS=1334
bl=2922 pos[1]=[-19.7 3.4 -13.0] dr=1.31 t=31220.0ps kin=1.49 pot=20.29 Rg=6.573 SPS=1328
bl=2923 pos[1]=[-19.2 5.0 -13.5] dr=1.32 t=31230.0ps kin=1.55 pot=20.19 Rg=6.549 SPS=1316
bl=2924 pos[1]=[-20.1 6.0 -13.6] dr=1.27 t=31240.0ps kin=1.51 pot=20.25 Rg=6.622 SPS=1329
bl=2925 pos[1]=[-21.1 5.4 -13.4] dr=1.34 t=31250.0ps kin=1.50 pot=20.23 Rg=6.511 SPS=1313
bl=2926 pos[1]=[-22.1 3.9 -12.4] dr=1.31 t=31260.0ps kin=1.54 pot=20.16 Rg=6.494 SPS=1321
bl=2927 pos[1]=[-20.4 2.3 -11.3] dr=1.31 t=31270.0ps kin=1.45 pot=20.23 Rg=6.506 SPS=1298
bl=2928 pos[1]=[-20.8 4.2 -11.4] dr=1.32 t=31280.0ps kin=1.51 pot=20.19 Rg=6.554 SPS=1309
bl=2929 pos[1]=[-21.5 2.9 -13.0] dr=1.25 t=31290.0ps kin=1.51 pot=20.23 Rg=6.546 SPS=1324
bl=2930 pos[1]=[-22.8 0.4 -12.1] dr=1.33 t=31300.0ps kin=1.50 pot=20.21 Rg=6.489 SPS=1321
bl=2931 pos[1]=[-19.7 0.7 -13.1] dr=1.24 t=31310.0ps kin=1.43 pot=20.20 Rg=6.518 SPS=1300
bl=2932 pos[1]=[-19.3 2.2 -11.0] dr=1.28 t=31320.0ps kin=1.49 pot=20.16 Rg=6.566 SPS=1342
bl=2933 pos[1]=[-18.9 3.6 -10.8] dr=1.36 t=31330.0ps kin=1.45 pot=20.23 Rg=6.556 SPS=1318
bl=2934 pos[1]=[-17.7 3.6 -11.1] dr=1.27 t=31340.0ps kin=1.49 pot=20.19 Rg=6.524 SPS=1332
bl=2935 pos[1]=[-20.2 5.0 -12.5] dr=1.35 t=31350.0ps kin=1.51 pot=20.20 Rg=6.527 SPS=1324
bl=2936 pos[1]=[-19.4 4.1 -10.8] dr=1.27 t=31360.0ps kin=1.52 pot=20.20 Rg=6.438 SPS=1312
bl=2937 pos[1]=[-19.2 3.1 -11.5] dr=1.28 t=31370.0ps kin=1.47 pot=20.19 Rg=6.458 SPS=1308
bl=2938 pos[1]=[-19.0 1.4 -10.8] dr=1.35 t=31380.0ps kin=1.47 pot=20.23 Rg=6.545 SPS=1196
bl=2939 pos[1]=[-17.4 2.3 -10.5] dr=1.32 t=31390.0ps kin=1.52 pot=20.34 Rg=6.545 SPS=1361
bl=2940 pos[1]=[-18.0 2.1 -11.7] dr=1.41 t=31400.0ps kin=1.56 pot=20.21 Rg=6.561 SPS=1314
bl=2941 pos[1]=[-17.3 1.2 -10.9] dr=1.38 t=31410.0ps kin=1.53 pot=20.24 Rg=6.512 SPS=1320
bl=2942 pos[1]=[-16.0 1.4 -11.5] dr=1.35 t=31420.0ps kin=1.50 pot=20.25 Rg=6.529 SPS=1321
bl=2943 pos[1]=[-18.1 4.2 -11.4] dr=1.33 t=31430.0ps kin=1.49 pot=20.24 Rg=6.577 SPS=1332
bl=2944 pos[1]=[-19.7 3.3 -12.5] dr=1.33 t=31440.0ps kin=1.47 pot=20.26 Rg=6.599 SPS=1257
bl=2945 pos[1]=[-20.3 2.0 -12.0] dr=1.32 t=31450.0ps kin=1.45 pot=20.24 Rg=6.576 SPS=1328
bl=2946 pos[1]=[-21.7 2.4 -9.3] dr=1.26 t=31460.0ps kin=1.53 pot=20.33 Rg=6.648 SPS=1385
bl=2947 pos[1]=[-22.4 1.7 -8.8] dr=1.35 t=31470.0ps kin=1.54 pot=20.23 Rg=6.584 SPS=1389
bl=2948 pos[1]=[-22.1 2.9 -8.1] dr=1.38 t=31480.0ps kin=1.46 pot=20.24 Rg=6.554 SPS=1389
bl=2949 pos[1]=[-24.9 0.7 -6.9] dr=1.32 t=31490.0ps kin=1.53 pot=20.20 Rg=6.499 SPS=1305
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.89920641 -4.42630851 -6.62367818] Rg = 6.498773
median bond size is 0.965093099554153
three shortest/longest (<10)/ bonds are [0.88020323 0.88913977 0.89253701] [1.07672147 1.08391876 1.09023767]
95 percentile of distance to center is: 9.26362952832911
density of closest 95% monomers is: 0.38685761525639045
density of the core monomers is: 0.7516555098384655
min/median/mean/max coordinates are:
x: -24.90, -15.93, -15.90, -8.43
y: -13.61, -4.45, -4.43, 5.90
z: -14.48, -6.78, -6.62, 3.29
Statistics for velocities:
mean kinetic energy is: 1.5294567120807838 should be: 1.5
fastest particles are (in kT): [ 6.74273225 6.76793894 7.97172195 8.34621204 10.22141316]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.19984674594395
bl=2950 pos[1]=[-22.0 -0.1 -5.5] dr=1.33 t=31500.0ps kin=1.46 pot=20.24 Rg=6.480 SPS=1327
bl=2951 pos[1]=[-21.7 1.1 -10.1] dr=1.33 t=31510.0ps kin=1.51 pot=20.20 Rg=6.487 SPS=1324
bl=2952 pos[1]=[-22.0 1.4 -11.7] dr=1.29 t=31520.0ps kin=1.53 pot=20.22 Rg=6.478 SPS=1330
bl=2953 pos[1]=[-21.3 0.9 -12.4] dr=1.34 t=31530.0ps kin=1.47 pot=20.22 Rg=6.448 SPS=1313
bl=2954 pos[1]=[-21.7 4.4 -9.3] dr=1.34 t=31540.0ps kin=1.51 pot=20.22 Rg=6.442 SPS=1336
bl=2955 pos[1]=[-20.3 3.8 -9.8] dr=1.35 t=31550.0ps kin=1.45 pot=20.26 Rg=6.429 SPS=1294
bl=2956 pos[1]=[-20.9 4.5 -8.7] dr=1.33 t=31560.0ps kin=1.47 pot=20.24 Rg=6.502 SPS=1332
bl=2957 pos[1]=[-23.4 3.1 -9.0] dr=1.36 t=31570.0ps kin=1.51 pot=20.23 Rg=6.380 SPS=1323
bl=2958 pos[1]=[-21.1 -1.0 -11.2] dr=1.35 t=31580.0ps kin=1.51 pot=20.22 Rg=6.431 SPS=1279
bl=2959 pos[1]=[-19.6 0.9 -11.6] dr=1.33 t=31590.0ps kin=1.48 pot=20.15 Rg=6.425 SPS=1303
bl=2960 pos[1]=[-16.9 0.5 -12.5] dr=1.36 t=31600.0ps kin=1.51 pot=20.19 Rg=6.376 SPS=1304
bl=2961 pos[1]=[-20.6 0.3 -11.2] dr=1.32 t=31610.0ps kin=1.53 pot=20.19 Rg=6.405 SPS=1299
bl=2962 pos[1]=[-21.2 -2.3 -10.3] dr=1.34 t=31620.0ps kin=1.47 pot=20.24 Rg=6.424 SPS=1323
bl=2963 pos[1]=[-21.7 -3.0 -10.3] dr=1.34 t=31630.0ps kin=1.47 pot=20.19 Rg=6.458 SPS=1297
bl=2964 pos[1]=[-22.0 -1.4 -10.7] dr=1.33 t=31640.0ps kin=1.49 pot=20.21 Rg=6.387 SPS=1307
bl=2965 pos[1]=[-25.7 -1.0 -7.4] dr=1.39 t=31650.0ps kin=1.42 pot=20.24 Rg=6.469 SPS=1351
bl=2966 pos[1]=[-23.6 -3.1 -3.8] dr=1.35 t=31660.0ps kin=1.45 pot=20.27 Rg=6.404 SPS=1318
bl=2967 pos[1]=[-21.9 -2.2 -5.4] dr=1.37 t=31670.0ps kin=1.52 pot=20.16 Rg=6.380 SPS=1309
bl=2968 pos[1]=[-21.9 -2.8 -5.7] dr=1.33 t=31680.0ps kin=1.52 pot=20.20 Rg=6.352 SPS=1312
bl=2969 pos[1]=[-22.1 -3.3 -6.4] dr=1.29 t=31690.0ps kin=1.51 pot=20.23 Rg=6.420 SPS=1307
bl=2970 pos[1]=[-23.3 -4.4 -6.9] dr=1.29 t=31700.0ps kin=1.52 pot=20.20 Rg=6.455 SPS=1187
bl=2971 pos[1]=[-24.6 -2.8 -6.8] dr=1.39 t=31710.0ps kin=1.48 pot=20.23 Rg=6.470 SPS=1318
bl=2972 pos[1]=[-24.3 -0.2 -9.0] dr=1.41 t=31720.0ps kin=1.57 pot=20.14 Rg=6.469 SPS=1307
bl=2973 pos[1]=[-22.5 0.9 -11.3] dr=1.37 t=31730.0ps kin=1.48 pot=20.17 Rg=6.461 SPS=1317
bl=2974 pos[1]=[-20.6 1.7 -8.9] dr=1.31 t=31740.0ps kin=1.45 pot=20.25 Rg=6.429 SPS=1311
bl=2975 pos[1]=[-20.6 1.8 -8.7] dr=1.29 t=31750.0ps kin=1.49 pot=20.17 Rg=6.553 SPS=1312
bl=2976 pos[1]=[-20.8 -0.3 -7.0] dr=1.26 t=31760.0ps kin=1.48 pot=20.16 Rg=6.565 SPS=1066
bl=2977 pos[1]=[-21.4 -1.8 -5.2] dr=1.30 t=31770.0ps kin=1.48 pot=20.18 Rg=6.664 SPS=1099
bl=2978 pos[1]=[-20.3 -1.1 -5.5] dr=1.32 t=31780.0ps kin=1.51 pot=20.22 Rg=6.731 SPS=1168
bl=2979 pos[1]=[-19.2 1.1 -6.5] dr=1.33 t=31790.0ps kin=1.47 pot=20.28 Rg=6.774 SPS=1154
bl=2980 pos[1]=[-17.2 1.9 -7.5] dr=1.34 t=31800.0ps kin=1.50 pot=20.26 Rg=6.792 SPS=773
bl=2981 pos[1]=[-16.6 0.1 -7.5] dr=1.33 t=31810.0ps kin=1.49 pot=20.24 Rg=6.817 SPS=1375
bl=2982 pos[1]=[-16.8 0.2 -7.8] dr=1.40 t=31820.0ps kin=1.50 pot=20.24 Rg=6.852 SPS=1384
bl=2983 pos[1]=[-16.5 0.6 -9.7] dr=1.37 t=31830.0ps kin=1.51 pot=20.30 Rg=6.811 SPS=864
bl=2984 pos[1]=[-17.2 2.4 -10.7] dr=1.34 t=31840.0ps kin=1.48 pot=20.22 Rg=6.757 SPS=860
bl=2985 pos[1]=[-14.8 0.7 -10.9] dr=1.35 t=31850.0ps kin=1.49 pot=20.14 Rg=6.739 SPS=973
bl=2986 pos[1]=[-15.0 2.2 -11.3] dr=1.37 t=31860.0ps kin=1.43 pot=20.23 Rg=6.755 SPS=853
bl=2987 pos[1]=[-14.4 1.1 -11.8] dr=1.35 t=31870.0ps kin=1.53 pot=20.24 Rg=6.744 SPS=909
bl=2988 pos[1]=[-13.9 2.3 -8.5] dr=1.37 t=31880.0ps kin=1.53 pot=20.24 Rg=6.730 SPS=1125
bl=2989 pos[1]=[-14.1 2.8 -6.3] dr=1.42 t=31890.0ps kin=1.45 pot=20.23 Rg=6.688 SPS=874
bl=2990 pos[1]=[-13.3 1.9 -7.1] dr=1.35 t=31900.0ps kin=1.49 pot=20.22 Rg=6.714 SPS=879
bl=2991 pos[1]=[-12.8 2.0 -8.5] dr=1.38 t=31910.0ps kin=1.53 pot=20.22 Rg=6.753 SPS=1266
bl=2992 pos[1]=[-15.4 2.5 -8.0] dr=1.39 t=31920.0ps kin=1.53 pot=20.28 Rg=6.628 SPS=1362
bl=2993 pos[1]=[-14.6 2.7 -7.9] dr=1.38 t=31930.0ps kin=1.55 pot=20.28 Rg=6.614 SPS=1339
bl=2994 pos[1]=[-17.3 1.4 -9.3] dr=1.35 t=31940.0ps kin=1.51 pot=20.30 Rg=6.621 SPS=1331
bl=2995 pos[1]=[-18.4 1.4 -10.6] dr=1.41 t=31950.0ps kin=1.49 pot=20.34 Rg=6.602 SPS=1321
bl=2996 pos[1]=[-18.9 -1.2 -9.2] dr=1.36 t=31960.0ps kin=1.54 pot=20.29 Rg=6.627 SPS=1338
bl=2997 pos[1]=[-18.1 -1.3 -10.3] dr=1.35 t=31970.0ps kin=1.47 pot=20.26 Rg=6.548 SPS=1363
bl=2998 pos[1]=[-17.7 -1.2 -10.4] dr=1.35 t=31980.0ps kin=1.45 pot=20.24 Rg=6.465 SPS=1342
bl=2999 pos[1]=[-18.5 -0.3 -10.0] dr=1.38 t=31990.0ps kin=1.46 pot=20.28 Rg=6.483 SPS=1341
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.31675176 -6.3833375 -6.80029364] Rg = 6.4826717
median bond size is 0.9662991897133679
three shortest/longest (<10)/ bonds are [0.88871993 0.88889747 0.89016725] [1.06786025 1.07287172 1.08812674]
95 percentile of distance to center is: 9.28918974266815
density of closest 95% monomers is: 0.3836729520820316
density of the core monomers is: 0.7532750749160927
min/median/mean/max coordinates are:
x: -24.59, -15.27, -15.32, -7.41
y: -16.43, -6.15, -6.38, 1.85
z: -16.55, -6.96, -6.80, 5.10
Statistics for velocities:
mean kinetic energy is: 1.4648486948417427 should be: 1.5
fastest particles are (in kT): [6.77556879 6.79105812 6.85755587 6.90112143 7.00139263]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.283070612094395
bl=3000 pos[1]=[-21.0 2.5 -8.8] dr=1.32 t=32000.0ps kin=1.53 pot=20.24 Rg=6.484 SPS=1001
bl=3001 pos[1]=[-21.6 0.9 -8.3] dr=1.32 t=32010.0ps kin=1.54 pot=20.23 Rg=6.397 SPS=1225
bl=3002 pos[1]=[-20.2 1.1 -7.7] dr=1.27 t=32020.0ps kin=1.52 pot=20.21 Rg=6.460 SPS=900
bl=3003 pos[1]=[-20.1 2.3 -6.3] dr=1.29 t=32030.0ps kin=1.52 pot=20.21 Rg=6.477 SPS=947
bl=3004 pos[1]=[-20.9 1.3 -6.5] dr=1.30 t=32040.0ps kin=1.52 pot=20.21 Rg=6.416 SPS=1133
bl=3005 pos[1]=[-19.5 1.9 -8.9] dr=1.36 t=32050.0ps kin=1.51 pot=20.24 Rg=6.424 SPS=977
bl=3006 pos[1]=[-17.6 0.7 -11.5] dr=1.37 t=32060.0ps kin=1.50 pot=20.24 Rg=6.401 SPS=1142
bl=3007 pos[1]=[-16.1 1.1 -11.2] dr=1.35 t=32070.0ps kin=1.51 pot=20.25 Rg=6.378 SPS=1311
bl=3008 pos[1]=[-15.4 -0.1 -10.3] dr=1.34 t=32080.0ps kin=1.47 pot=20.25 Rg=6.419 SPS=930
bl=3009 pos[1]=[-15.8 -0.3 -10.3] dr=1.36 t=32090.0ps kin=1.53 pot=20.16 Rg=6.353 SPS=1079
bl=3010 pos[1]=[-14.4 0.8 -11.0] dr=1.34 t=32100.0ps kin=1.51 pot=20.20 Rg=6.477 SPS=1108
bl=3011 pos[1]=[-13.8 0.8 -10.9] dr=1.33 t=32110.0ps kin=1.51 pot=20.22 Rg=6.449 SPS=1203
bl=3012 pos[1]=[-11.8 -0.4 -11.0] dr=1.29 t=32120.0ps kin=1.46 pot=20.20 Rg=6.405 SPS=1326
bl=3013 pos[1]=[-12.6 1.4 -10.8] dr=1.29 t=32130.0ps kin=1.53 pot=20.18 Rg=6.431 SPS=1332
bl=3014 pos[1]=[-13.6 1.6 -9.0] dr=1.38 t=32140.0ps kin=1.56 pot=20.26 Rg=6.539 SPS=1345
bl=3015 pos[1]=[-15.2 1.0 -9.6] dr=1.38 t=32150.0ps kin=1.49 pot=20.20 Rg=6.633 SPS=1391
bl=3016 pos[1]=[-14.6 1.1 -9.8] dr=1.37 t=32160.0ps kin=1.61 pot=20.27 Rg=6.470 SPS=1200
bl=3017 pos[1]=[-15.5 1.1 -8.8] dr=1.37 t=32170.0ps kin=1.47 pot=20.25 Rg=6.536 SPS=1315
bl=3018 pos[1]=[-15.5 1.2 -8.9] dr=1.39 t=32180.0ps kin=1.51 pot=20.25 Rg=6.531 SPS=1306
bl=3019 pos[1]=[-17.5 -0.7 -8.7] dr=1.34 t=32190.0ps kin=1.51 pot=20.22 Rg=6.549 SPS=1288
bl=3020 pos[1]=[-18.0 -0.2 -6.9] dr=1.29 t=32200.0ps kin=1.48 pot=20.19 Rg=6.435 SPS=1297
bl=3021 pos[1]=[-18.9 0.6 -6.3] dr=1.28 t=32210.0ps kin=1.49 pot=20.20 Rg=6.503 SPS=1299
bl=3022 pos[1]=[-20.5 1.4 -5.7] dr=1.38 t=32220.0ps kin=1.48 pot=20.25 Rg=6.496 SPS=954
bl=3023 pos[1]=[-20.9 -1.0 -6.0] dr=1.35 t=32230.0ps kin=1.52 pot=20.19 Rg=6.486 SPS=1267
bl=3024 pos[1]=[-19.0 0.3 -6.4] dr=1.38 t=32240.0ps kin=1.50 pot=20.20 Rg=6.472 SPS=1313
bl=3025 pos[1]=[-18.6 0.0 -7.7] dr=1.32 t=32250.0ps kin=1.56 pot=20.26 Rg=6.526 SPS=1287
bl=3026 pos[1]=[-19.0 2.3 -6.9] dr=1.29 t=32260.0ps kin=1.60 pot=20.26 Rg=6.593 SPS=1372
bl=3027 pos[1]=[-17.2 1.2 -6.7] dr=1.43 t=32270.0ps kin=1.50 pot=20.27 Rg=6.598 SPS=1344
bl=3028 pos[1]=[-19.9 1.4 -6.4] dr=1.35 t=32280.0ps kin=1.49 pot=20.27 Rg=6.587 SPS=1347
bl=3029 pos[1]=[-21.6 0.4 -3.7] dr=1.35 t=32290.0ps kin=1.51 pot=20.23 Rg=6.504 SPS=1335
bl=3030 pos[1]=[-20.2 -1.2 -5.6] dr=1.34 t=32300.0ps kin=1.55 pot=20.25 Rg=6.426 SPS=1312
bl=3031 pos[1]=[-20.5 -1.3 -6.1] dr=1.32 t=32310.0ps kin=1.52 pot=20.26 Rg=6.492 SPS=1340
bl=3032 pos[1]=[-20.2 -1.2 -6.6] dr=1.37 t=32320.0ps kin=1.50 pot=20.23 Rg=6.541 SPS=1328
bl=3033 pos[1]=[-19.2 -0.7 -7.4] dr=1.34 t=32330.0ps kin=1.55 pot=20.28 Rg=6.434 SPS=1352
bl=3034 pos[1]=[-19.3 -0.9 -7.4] dr=1.37 t=32340.0ps kin=1.50 pot=20.25 Rg=6.430 SPS=1320
bl=3035 pos[1]=[-20.7 -2.0 -7.8] dr=1.31 t=32350.0ps kin=1.48 pot=20.21 Rg=6.370 SPS=1302
bl=3036 pos[1]=[-18.6 -3.1 -7.9] dr=1.33 t=32360.0ps kin=1.49 pot=20.16 Rg=6.421 SPS=1322
bl=3037 pos[1]=[-19.0 -2.5 -7.7] dr=1.33 t=32370.0ps kin=1.49 pot=20.17 Rg=6.448 SPS=1325
bl=3038 pos[1]=[-20.7 -2.2 -7.4] dr=1.34 t=32380.0ps kin=1.46 pot=20.20 Rg=6.432 SPS=1307
bl=3039 pos[1]=[-21.2 -4.0 -7.7] dr=1.32 t=32390.0ps kin=1.44 pot=20.26 Rg=6.503 SPS=1338
bl=3040 pos[1]=[-21.3 -1.7 -7.4] dr=1.36 t=32400.0ps kin=1.43 pot=20.32 Rg=6.527 SPS=1359
bl=3041 pos[1]=[-20.7 -2.2 -7.6] dr=1.42 t=32410.0ps kin=1.52 pot=20.24 Rg=6.539 SPS=1401
bl=3042 pos[1]=[-21.7 -2.1 -8.3] dr=1.32 t=32420.0ps kin=1.42 pot=20.22 Rg=6.604 SPS=1355
bl=3043 pos[1]=[-21.8 -3.4 -8.0] dr=1.33 t=32430.0ps kin=1.48 pot=20.20 Rg=6.527 SPS=1326
bl=3044 pos[1]=[-22.2 -2.6 -8.6] dr=1.44 t=32440.0ps kin=1.51 pot=20.23 Rg=6.521 SPS=1313
bl=3045 pos[1]=[-25.4 -4.8 -8.2] dr=1.36 t=32450.0ps kin=1.50 pot=20.26 Rg=6.556 SPS=1167
bl=3046 pos[1]=[-22.9 -3.2 -7.6] dr=1.32 t=32460.0ps kin=1.55 pot=20.29 Rg=6.532 SPS=1338
bl=3047 pos[1]=[-22.1 -3.6 -10.5] dr=1.36 t=32470.0ps kin=1.49 pot=20.26 Rg=6.499 SPS=1331
bl=3048 pos[1]=[-21.4 -5.0 -10.4] dr=1.36 t=32480.0ps kin=1.48 pot=20.25 Rg=6.392 SPS=883
bl=3049 pos[1]=[-21.8 -0.4 -9.1] dr=1.37 t=32490.0ps kin=1.53 pot=20.21 Rg=6.412 SPS=915
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.45614154 -6.86371111 -7.1789707 ] Rg = 6.4122972
median bond size is 0.964320306097405
three shortest/longest (<10)/ bonds are [0.87684549 0.89038067 0.89048011] [1.07656455 1.07916273 1.08818127]
95 percentile of distance to center is: 9.099374623503255
density of closest 95% monomers is: 0.40818782725337477
density of the core monomers is: 0.760839250101801
min/median/mean/max coordinates are:
x: -23.59, -15.43, -15.46, -6.84
y: -17.20, -6.91, -6.86, 3.75
z: -14.87, -7.27, -7.18, 1.89
Statistics for velocities:
mean kinetic energy is: 1.5360631189913811 should be: 1.5
fastest particles are (in kT): [6.25738964 6.56006137 7.06285291 7.84629263 7.90215843]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.21158278023599
bl=3050 pos[1]=[-22.9 -2.0 -9.0] dr=1.32 t=32500.0ps kin=1.45 pot=20.22 Rg=6.444 SPS=910
bl=3051 pos[1]=[-23.7 -6.0 -9.1] dr=1.36 t=32510.0ps kin=1.54 pot=20.25 Rg=6.441 SPS=1172
bl=3052 pos[1]=[-23.3 -5.6 -8.6] dr=1.35 t=32520.0ps kin=1.47 pot=20.23 Rg=6.464 SPS=1285
bl=3053 pos[1]=[-22.8 -5.0 -8.7] dr=1.31 t=32530.0ps kin=1.46 pot=20.25 Rg=6.535 SPS=1252
bl=3054 pos[1]=[-22.6 -4.5 -9.5] dr=1.37 t=32540.0ps kin=1.48 pot=20.30 Rg=6.570 SPS=1313
bl=3055 pos[1]=[-19.6 -5.3 -9.4] dr=1.34 t=32550.0ps kin=1.46 pot=20.32 Rg=6.576 SPS=1218
bl=3056 pos[1]=[-20.5 -5.5 -9.0] dr=1.42 t=32560.0ps kin=1.53 pot=20.26 Rg=6.564 SPS=1323
bl=3057 pos[1]=[-20.0 -5.4 -9.4] dr=1.31 t=32570.0ps kin=1.50 pot=20.26 Rg=6.549 SPS=1307
bl=3058 pos[1]=[-19.6 -4.7 -10.2] dr=1.31 t=32580.0ps kin=1.54 pot=20.21 Rg=6.521 SPS=1315
bl=3059 pos[1]=[-19.4 -4.5 -10.7] dr=1.34 t=32590.0ps kin=1.51 pot=20.23 Rg=6.479 SPS=1316
bl=3060 pos[1]=[-17.5 -2.8 -10.8] dr=1.36 t=32600.0ps kin=1.47 pot=20.28 Rg=6.467 SPS=1323
bl=3061 pos[1]=[-17.4 -4.6 -10.5] dr=1.35 t=32610.0ps kin=1.46 pot=20.27 Rg=6.476 SPS=996
bl=3062 pos[1]=[-18.5 -5.1 -10.2] dr=1.35 t=32620.0ps kin=1.52 pot=20.21 Rg=6.431 SPS=1192
bl=3063 pos[1]=[-18.5 -5.4 -9.2] dr=1.33 t=32630.0ps kin=1.53 pot=20.24 Rg=6.424 SPS=1091
bl=3064 pos[1]=[-19.4 -3.7 -9.6] dr=1.38 t=32640.0ps kin=1.50 pot=20.24 Rg=6.449 SPS=1246
bl=3065 pos[1]=[-20.3 -4.2 -8.3] dr=1.33 t=32650.0ps kin=1.53 pot=20.23 Rg=6.388 SPS=1280
bl=3066 pos[1]=[-20.9 -3.6 -7.6] dr=1.38 t=32660.0ps kin=1.51 pot=20.26 Rg=6.453 SPS=1305
bl=3067 pos[1]=[-21.0 -3.3 -7.8] dr=1.31 t=32670.0ps kin=1.49 pot=20.28 Rg=6.414 SPS=1316
bl=3068 pos[1]=[-21.0 -3.2 -8.9] dr=1.41 t=32680.0ps kin=1.51 pot=20.23 Rg=6.421 SPS=1305
bl=3069 pos[1]=[-20.7 -4.1 -7.3] dr=1.36 t=32690.0ps kin=1.50 pot=20.27 Rg=6.504 SPS=1062
bl=3070 pos[1]=[-20.2 -4.3 -7.7] dr=1.34 t=32700.0ps kin=1.54 pot=20.18 Rg=6.442 SPS=1314
bl=3071 pos[1]=[-20.3 -4.6 -9.4] dr=1.28 t=32710.0ps kin=1.45 pot=20.23 Rg=6.457 SPS=1140
bl=3072 pos[1]=[-21.2 -4.6 -9.0] dr=1.33 t=32720.0ps kin=1.49 pot=20.24 Rg=6.557 SPS=1288
bl=3073 pos[1]=[-21.1 -4.0 -8.6] dr=1.37 t=32730.0ps kin=1.50 pot=20.27 Rg=6.669 SPS=1323
bl=3074 pos[1]=[-19.9 -3.8 -6.8] dr=1.35 t=32740.0ps kin=1.48 pot=20.22 Rg=6.629 SPS=1322
bl=3075 pos[1]=[-19.2 -4.5 -7.6] dr=1.37 t=32750.0ps kin=1.54 pot=20.18 Rg=6.541 SPS=1341
bl=3076 pos[1]=[-21.7 -5.8 -7.5] dr=1.37 t=32760.0ps kin=1.54 pot=20.21 Rg=6.507 SPS=1325
bl=3077 pos[1]=[-21.9 -6.3 -6.9] dr=1.37 t=32770.0ps kin=1.46 pot=20.25 Rg=6.535 SPS=1306
bl=3078 pos[1]=[-22.0 -5.0 -5.5] dr=1.36 t=32780.0ps kin=1.52 pot=20.22 Rg=6.649 SPS=1355
bl=3079 pos[1]=[-21.7 -6.0 -4.8] dr=1.35 t=32790.0ps kin=1.49 pot=20.22 Rg=6.604 SPS=1346
bl=3080 pos[1]=[-21.4 -6.1 -3.8] dr=1.34 t=32800.0ps kin=1.52 pot=20.21 Rg=6.592 SPS=1325
bl=3081 pos[1]=[-20.3 -5.6 -3.2] dr=1.33 t=32810.0ps kin=1.47 pot=20.20 Rg=6.540 SPS=1345
bl=3082 pos[1]=[-20.5 -5.0 -2.5] dr=1.32 t=32820.0ps kin=1.50 pot=20.19 Rg=6.535 SPS=1308
bl=3083 pos[1]=[-19.8 -4.5 -3.6] dr=1.30 t=32830.0ps kin=1.50 pot=20.18 Rg=6.546 SPS=1341
bl=3084 pos[1]=[-19.5 -5.4 -4.5] dr=1.31 t=32840.0ps kin=1.43 pot=20.17 Rg=6.535 SPS=1318
bl=3085 pos[1]=[-19.2 -5.5 -4.2] dr=1.36 t=32850.0ps kin=1.49 pot=20.24 Rg=6.525 SPS=1326
bl=3086 pos[1]=[-19.5 -5.8 -3.9] dr=1.30 t=32860.0ps kin=1.51 pot=20.23 Rg=6.632 SPS=1334
bl=3087 pos[1]=[-19.2 -6.1 -2.5] dr=1.30 t=32870.0ps kin=1.53 pot=20.26 Rg=6.758 SPS=1390
bl=3088 pos[1]=[-19.7 -6.3 -3.0] dr=1.33 t=32880.0ps kin=1.47 pot=20.27 Rg=6.744 SPS=1393
bl=3089 pos[1]=[-19.9 -5.7 -3.7] dr=1.37 t=32890.0ps kin=1.49 pot=20.27 Rg=6.803 SPS=1387
bl=3090 pos[1]=[-20.1 -7.1 -3.6] dr=1.45 t=32900.0ps kin=1.54 pot=20.30 Rg=6.810 SPS=1400
bl=3091 pos[1]=[-19.2 -7.2 -3.8] dr=1.38 t=32910.0ps kin=1.53 pot=20.24 Rg=6.601 SPS=1263
bl=3092 pos[1]=[-20.2 -7.0 -3.6] dr=1.39 t=32920.0ps kin=1.53 pot=20.22 Rg=6.533 SPS=1215
bl=3093 pos[1]=[-19.6 -5.2 -3.6] dr=1.38 t=32930.0ps kin=1.47 pot=20.28 Rg=6.585 SPS=1131
bl=3094 pos[1]=[-19.1 -5.8 -3.6] dr=1.40 t=32940.0ps kin=1.48 pot=20.25 Rg=6.556 SPS=837
bl=3095 pos[1]=[-17.3 -5.4 -3.5] dr=1.34 t=32950.0ps kin=1.50 pot=20.28 Rg=6.559 SPS=891
bl=3096 pos[1]=[-18.9 -4.4 -2.6] dr=1.37 t=32960.0ps kin=1.53 pot=20.20 Rg=6.544 SPS=1124
bl=3097 pos[1]=[-18.6 -4.4 -2.8] dr=1.34 t=32970.0ps kin=1.54 pot=20.23 Rg=6.564 SPS=1290
bl=3098 pos[1]=[-17.6 -5.2 -3.5] dr=1.29 t=32980.0ps kin=1.49 pot=20.23 Rg=6.562 SPS=1048
bl=3099 pos[1]=[-16.3 -6.8 -3.0] dr=1.31 t=32990.0ps kin=1.51 pot=20.25 Rg=6.530 SPS=1356
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.74813427 -6.91762679 -6.33990777] Rg = 6.5304093
median bond size is 0.9658751109400051
three shortest/longest (<10)/ bonds are [0.87853008 0.88042842 0.88113779] [1.08018088 1.08281932 1.08508267]
95 percentile of distance to center is: 9.240734128922774
density of closest 95% monomers is: 0.3897402508440946
density of the core monomers is: 0.634954692835557
min/median/mean/max coordinates are:
x: -23.13, -15.78, -15.75, -8.26
y: -17.92, -6.94, -6.92, 3.69
z: -14.92, -6.27, -6.34, 1.96
Statistics for velocities:
mean kinetic energy is: 1.5093566367843916 should be: 1.5
fastest particles are (in kT): [7.09021635 7.59722074 8.99861229 9.0068508 9.12636229]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.25338916159661
bl=3100 pos[1]=[-16.0 -6.7 -2.6] dr=1.33 t=33000.0ps kin=1.53 pot=20.20 Rg=6.465 SPS=906
bl=3101 pos[1]=[-16.4 -6.8 -2.1] dr=1.27 t=33010.0ps kin=1.43 pot=20.22 Rg=6.479 SPS=664
bl=3102 pos[1]=[-17.8 -7.1 -2.8] dr=1.31 t=33020.0ps kin=1.49 pot=20.12 Rg=6.424 SPS=1173
bl=3103 pos[1]=[-20.0 -6.9 -4.2] dr=1.30 t=33030.0ps kin=1.54 pot=20.16 Rg=6.478 SPS=1231
bl=3104 pos[1]=[-19.3 -7.0 -5.3] dr=1.23 t=33040.0ps kin=1.46 pot=20.19 Rg=6.461 SPS=1329
bl=3105 pos[1]=[-20.8 -7.7 -4.6] dr=1.29 t=33050.0ps kin=1.45 pot=20.18 Rg=6.440 SPS=1314
bl=3106 pos[1]=[-21.2 -7.7 -4.9] dr=1.32 t=33060.0ps kin=1.50 pot=20.16 Rg=6.474 SPS=1194
bl=3107 pos[1]=[-22.4 -7.6 -5.1] dr=1.30 t=33070.0ps kin=1.53 pot=20.15 Rg=6.467 SPS=888
bl=3108 pos[1]=[-22.3 -7.4 -3.5] dr=1.33 t=33080.0ps kin=1.43 pot=20.19 Rg=6.514 SPS=1211
bl=3109 pos[1]=[-21.3 -6.1 -3.7] dr=1.33 t=33090.0ps kin=1.44 pot=20.22 Rg=6.534 SPS=1360
bl=3110 pos[1]=[-20.5 -6.8 -3.3] dr=1.34 t=33100.0ps kin=1.55 pot=20.19 Rg=6.574 SPS=1379
bl=3111 pos[1]=[-20.7 -4.9 -3.5] dr=1.34 t=33110.0ps kin=1.53 pot=20.22 Rg=6.662 SPS=1391
bl=3112 pos[1]=[-20.9 -3.7 -4.1] dr=1.40 t=33120.0ps kin=1.57 pot=20.26 Rg=6.624 SPS=1396
bl=3113 pos[1]=[-19.7 -3.3 -4.4] dr=1.33 t=33130.0ps kin=1.46 pot=20.23 Rg=6.676 SPS=1340
bl=3114 pos[1]=[-23.0 -6.0 -5.1] dr=1.33 t=33140.0ps kin=1.46 pot=20.27 Rg=6.852 SPS=1390
bl=3115 pos[1]=[-22.5 -4.8 -4.8] dr=1.32 t=33150.0ps kin=1.52 pot=20.24 Rg=6.826 SPS=1363
bl=3116 pos[1]=[-19.7 -3.3 -4.1] dr=1.40 t=33160.0ps kin=1.50 pot=20.29 Rg=6.826 SPS=1384
bl=3117 pos[1]=[-20.6 -5.2 -4.2] dr=1.37 t=33170.0ps kin=1.52 pot=20.29 Rg=6.818 SPS=1387
bl=3118 pos[1]=[-20.3 -4.9 -2.6] dr=1.36 t=33180.0ps kin=1.54 pot=20.23 Rg=6.826 SPS=1404
bl=3119 pos[1]=[-18.3 -7.0 -1.7] dr=1.35 t=33190.0ps kin=1.52 pot=20.23 Rg=6.803 SPS=1388
bl=3120 pos[1]=[-20.8 -7.0 -1.0] dr=1.36 t=33200.0ps kin=1.44 pot=20.25 Rg=6.810 SPS=1402
bl=3121 pos[1]=[-20.2 -6.1 -1.4] dr=1.32 t=33210.0ps kin=1.49 pot=20.24 Rg=6.771 SPS=1431
bl=3122 pos[1]=[-20.5 -4.9 -0.8] dr=1.36 t=33220.0ps kin=1.49 pot=20.22 Rg=6.710 SPS=1421
bl=3123 pos[1]=[-21.1 -4.4 -2.9] dr=1.39 t=33230.0ps kin=1.51 pot=20.23 Rg=6.768 SPS=1379
bl=3124 pos[1]=[-21.8 -6.4 -1.6] dr=1.31 t=33240.0ps kin=1.54 pot=20.24 Rg=6.677 SPS=1385
bl=3125 pos[1]=[-21.6 -8.1 -1.1] dr=1.33 t=33250.0ps kin=1.54 pot=20.25 Rg=6.564 SPS=1394
bl=3126 pos[1]=[-19.7 -9.1 0.8] dr=1.32 t=33260.0ps kin=1.48 pot=20.33 Rg=6.579 SPS=1381
bl=3127 pos[1]=[-18.6 -9.0 1.2] dr=1.35 t=33270.0ps kin=1.52 pot=20.29 Rg=6.614 SPS=1428
bl=3128 pos[1]=[-17.7 -7.9 2.2] dr=1.42 t=33280.0ps kin=1.53 pot=20.31 Rg=6.554 SPS=1416
bl=3129 pos[1]=[-16.5 -6.0 1.5] dr=1.38 t=33290.0ps kin=1.50 pot=20.21 Rg=6.501 SPS=1404
bl=3130 pos[1]=[-17.0 -3.5 2.8] dr=1.33 t=33300.0ps kin=1.50 pot=20.24 Rg=6.490 SPS=1331
bl=3131 pos[1]=[-15.6 -3.1 3.2] dr=1.32 t=33310.0ps kin=1.50 pot=20.16 Rg=6.486 SPS=1337
bl=3132 pos[1]=[-14.4 -2.6 1.6] dr=1.30 t=33320.0ps kin=1.45 pot=20.18 Rg=6.432 SPS=1288
bl=3133 pos[1]=[-17.6 -1.2 2.1] dr=1.32 t=33330.0ps kin=1.50 pot=20.17 Rg=6.476 SPS=1308
bl=3134 pos[1]=[-17.8 -0.6 0.7] dr=1.25 t=33340.0ps kin=1.54 pot=20.19 Rg=6.479 SPS=1350
bl=3135 pos[1]=[-19.8 0.5 1.1] dr=1.33 t=33350.0ps kin=1.49 pot=20.19 Rg=6.465 SPS=1345
bl=3136 pos[1]=[-19.2 1.7 0.7] dr=1.35 t=33360.0ps kin=1.50 pot=20.19 Rg=6.476 SPS=1360
bl=3137 pos[1]=[-18.5 -0.2 0.7] dr=1.33 t=33370.0ps kin=1.49 pot=20.25 Rg=6.470 SPS=1343
bl=3138 pos[1]=[-16.9 -1.3 0.4] dr=1.34 t=33380.0ps kin=1.44 pot=20.23 Rg=6.517 SPS=1160
bl=3139 pos[1]=[-17.9 -1.4 3.1] dr=1.39 t=33390.0ps kin=1.49 pot=20.21 Rg=6.529 SPS=1372
bl=3140 pos[1]=[-19.2 -1.9 3.1] dr=1.36 t=33400.0ps kin=1.48 pot=20.21 Rg=6.568 SPS=1404
bl=3141 pos[1]=[-19.9 -2.0 1.8] dr=1.30 t=33410.0ps kin=1.51 pot=20.21 Rg=6.561 SPS=1380
bl=3142 pos[1]=[-20.5 -5.3 2.5] dr=1.33 t=33420.0ps kin=1.52 pot=20.25 Rg=6.512 SPS=1372
bl=3143 pos[1]=[-19.3 -7.5 -0.7] dr=1.40 t=33430.0ps kin=1.49 pot=20.23 Rg=6.491 SPS=1360
bl=3144 pos[1]=[-19.4 -6.4 0.7] dr=1.37 t=33440.0ps kin=1.50 pot=20.27 Rg=6.501 SPS=1357
bl=3145 pos[1]=[-16.9 -7.4 0.7] dr=1.38 t=33450.0ps kin=1.48 pot=20.25 Rg=6.490 SPS=1377
bl=3146 pos[1]=[-16.4 -10.1 2.1] dr=1.34 t=33460.0ps kin=1.51 pot=20.22 Rg=6.424 SPS=1332
bl=3147 pos[1]=[-18.6 -10.2 -0.4] dr=1.31 t=33470.0ps kin=1.49 pot=20.21 Rg=6.439 SPS=1318
bl=3148 pos[1]=[-18.6 -10.2 -1.2] dr=1.35 t=33480.0ps kin=1.54 pot=20.21 Rg=6.487 SPS=1217
bl=3149 pos[1]=[-16.9 -9.2 -1.3] dr=1.34 t=33490.0ps kin=1.58 pot=20.23 Rg=6.468 SPS=741
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.75769846 -7.27906262 -6.10164867] Rg = 6.468261
median bond size is 0.9651039100706988
three shortest/longest (<10)/ bonds are [0.86473591 0.88649632 0.88787212] [1.07002645 1.08193557 1.08599203]
95 percentile of distance to center is: 9.258303871733077
density of closest 95% monomers is: 0.38752559597824054
density of the core monomers is: 0.7284449357830494
min/median/mean/max coordinates are:
x: -25.87, -16.61, -16.76, -9.16
y: -16.18, -7.55, -7.28, 2.73
z: -15.66, -6.08, -6.10, 2.38
Statistics for velocities:
mean kinetic energy is: 1.5801206965638521 should be: 1.5
fastest particles are (in kT): [7.31269352 8.21054074 8.59559349 8.7267556 9.48497334]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.22606989767699
bl=3150 pos[1]=[-17.5 -9.1 -0.6] dr=1.35 t=33500.0ps kin=1.51 pot=20.25 Rg=6.471 SPS=894
bl=3151 pos[1]=[-17.2 -9.3 -0.3] dr=1.37 t=33510.0ps kin=1.48 pot=20.29 Rg=6.426 SPS=961
bl=3152 pos[1]=[-16.2 -10.3 -0.5] dr=1.31 t=33520.0ps kin=1.56 pot=20.22 Rg=6.367 SPS=1211
bl=3153 pos[1]=[-15.7 -10.6 -1.2] dr=1.28 t=33530.0ps kin=1.51 pot=20.21 Rg=6.382 SPS=1305
bl=3154 pos[1]=[-15.1 -11.0 -1.7] dr=1.28 t=33540.0ps kin=1.48 pot=20.26 Rg=6.380 SPS=1312
bl=3155 pos[1]=[-14.8 -10.1 0.3] dr=1.31 t=33550.0ps kin=1.54 pot=20.25 Rg=6.401 SPS=822
bl=3156 pos[1]=[-15.0 -9.2 1.3] dr=1.35 t=33560.0ps kin=1.49 pot=20.29 Rg=6.522 SPS=936
bl=3157 pos[1]=[-17.7 -11.0 1.6] dr=1.35 t=33570.0ps kin=1.49 pot=20.23 Rg=6.448 SPS=1237
bl=3158 pos[1]=[-17.6 -10.2 0.7] dr=1.36 t=33580.0ps kin=1.53 pot=20.25 Rg=6.395 SPS=1216
bl=3159 pos[1]=[-18.6 -10.6 0.3] dr=1.27 t=33590.0ps kin=1.46 pot=20.26 Rg=6.450 SPS=1315
bl=3160 pos[1]=[-19.9 -8.4 1.0] dr=1.29 t=33600.0ps kin=1.48 pot=20.23 Rg=6.504 SPS=1290
bl=3161 pos[1]=[-19.1 -9.4 -0.6] dr=1.29 t=33610.0ps kin=1.45 pot=20.20 Rg=6.358 SPS=1314
bl=3162 pos[1]=[-19.5 -6.2 -2.0] dr=1.35 t=33620.0ps kin=1.53 pot=20.22 Rg=6.396 SPS=1311
bl=3163 pos[1]=[-19.8 -5.8 -2.2] dr=1.36 t=33630.0ps kin=1.53 pot=20.19 Rg=6.311 SPS=1268
bl=3164 pos[1]=[-20.7 -5.1 -0.6] dr=1.33 t=33640.0ps kin=1.51 pot=20.25 Rg=6.434 SPS=1318
bl=3165 pos[1]=[-21.6 -7.1 0.8] dr=1.31 t=33650.0ps kin=1.57 pot=20.19 Rg=6.374 SPS=1315
bl=3166 pos[1]=[-22.7 -8.2 2.0] dr=1.32 t=33660.0ps kin=1.45 pot=20.20 Rg=6.438 SPS=1288
bl=3167 pos[1]=[-21.3 -6.5 -0.1] dr=1.34 t=33670.0ps kin=1.51 pot=20.19 Rg=6.384 SPS=1298
bl=3168 pos[1]=[-22.0 -5.6 0.6] dr=1.36 t=33680.0ps kin=1.47 pot=20.28 Rg=6.428 SPS=1270
bl=3169 pos[1]=[-21.2 -4.8 -0.3] dr=1.31 t=33690.0ps kin=1.50 pot=20.19 Rg=6.411 SPS=1303
bl=3170 pos[1]=[-21.7 -4.2 -2.6] dr=1.34 t=33700.0ps kin=1.49 pot=20.24 Rg=6.393 SPS=1308
bl=3171 pos[1]=[-21.6 -5.2 -3.1] dr=1.43 t=33710.0ps kin=1.47 pot=20.21 Rg=6.405 SPS=1320
bl=3172 pos[1]=[-22.6 -5.6 -2.8] dr=1.35 t=33720.0ps kin=1.46 pot=20.25 Rg=6.494 SPS=1312
bl=3173 pos[1]=[-21.7 -5.5 -1.5] dr=1.41 t=33730.0ps kin=1.54 pot=20.24 Rg=6.484 SPS=1317
bl=3174 pos[1]=[-21.5 -5.8 -0.7] dr=1.37 t=33740.0ps kin=1.46 pot=20.22 Rg=6.540 SPS=1308
bl=3175 pos[1]=[-20.2 -5.2 -2.0] dr=1.35 t=33750.0ps kin=1.45 pot=20.22 Rg=6.566 SPS=1352
bl=3176 pos[1]=[-21.3 -5.3 0.7] dr=1.31 t=33760.0ps kin=1.50 pot=20.22 Rg=6.489 SPS=1374
bl=3177 pos[1]=[-21.2 -4.9 -0.9] dr=1.31 t=33770.0ps kin=1.54 pot=20.25 Rg=6.459 SPS=1321
bl=3178 pos[1]=[-20.7 -7.0 0.8] dr=1.33 t=33780.0ps kin=1.52 pot=20.22 Rg=6.463 SPS=1319
bl=3179 pos[1]=[-19.3 -8.3 0.7] dr=1.31 t=33790.0ps kin=1.48 pot=20.26 Rg=6.371 SPS=1319
bl=3180 pos[1]=[-19.3 -8.0 1.6] dr=1.28 t=33800.0ps kin=1.53 pot=20.26 Rg=6.408 SPS=1284
bl=3181 pos[1]=[-18.8 -7.4 0.9] dr=1.30 t=33810.0ps kin=1.48 pot=20.34 Rg=6.447 SPS=1348
bl=3182 pos[1]=[-20.6 -6.3 -2.3] dr=1.33 t=33820.0ps kin=1.53 pot=20.26 Rg=6.403 SPS=1333
bl=3183 pos[1]=[-20.8 -5.9 -1.3] dr=1.32 t=33830.0ps kin=1.49 pot=20.20 Rg=6.363 SPS=1306
bl=3184 pos[1]=[-19.8 -6.3 -0.2] dr=1.33 t=33840.0ps kin=1.49 pot=20.20 Rg=6.407 SPS=1296
bl=3185 pos[1]=[-19.0 -6.7 -0.5] dr=1.34 t=33850.0ps kin=1.54 pot=20.27 Rg=6.462 SPS=1307
bl=3186 pos[1]=[-19.8 -8.0 0.6] dr=1.32 t=33860.0ps kin=1.52 pot=20.33 Rg=6.432 SPS=737
bl=3187 pos[1]=[-20.1 -8.9 0.5] dr=1.39 t=33870.0ps kin=1.57 pot=20.29 Rg=6.531 SPS=1321
bl=3188 pos[1]=[-19.2 -6.8 1.5] dr=1.36 t=33880.0ps kin=1.52 pot=20.28 Rg=6.471 SPS=1348
bl=3189 pos[1]=[-20.6 -7.2 0.5] dr=1.37 t=33890.0ps kin=1.50 pot=20.25 Rg=6.481 SPS=1327
bl=3190 pos[1]=[-19.3 -7.5 -0.1] dr=1.36 t=33900.0ps kin=1.51 pot=20.21 Rg=6.453 SPS=887
bl=3191 pos[1]=[-18.2 -8.6 0.4] dr=1.28 t=33910.0ps kin=1.46 pot=20.27 Rg=6.517 SPS=680
bl=3192 pos[1]=[-17.5 -5.3 0.5] dr=1.36 t=33920.0ps kin=1.48 pot=20.28 Rg=6.515 SPS=1281
bl=3193 pos[1]=[-16.2 -5.0 -0.7] dr=1.29 t=33930.0ps kin=1.55 pot=20.26 Rg=6.431 SPS=1091
bl=3194 pos[1]=[-16.9 -4.0 0.3] dr=1.34 t=33940.0ps kin=1.50 pot=20.28 Rg=6.441 SPS=776
bl=3195 pos[1]=[-19.1 -2.1 0.8] dr=1.33 t=33950.0ps kin=1.48 pot=20.24 Rg=6.482 SPS=835
bl=3196 pos[1]=[-20.1 -3.0 1.8] dr=1.32 t=33960.0ps kin=1.46 pot=20.25 Rg=6.489 SPS=923
bl=3197 pos[1]=[-19.5 -7.1 -0.3] dr=1.33 t=33970.0ps kin=1.50 pot=20.22 Rg=6.483 SPS=810
bl=3198 pos[1]=[-20.3 -6.5 -1.3] dr=1.34 t=33980.0ps kin=1.47 pot=20.19 Rg=6.370 SPS=828
bl=3199 pos[1]=[-20.5 -5.5 -0.8] dr=1.35 t=33990.0ps kin=1.48 pot=20.21 Rg=6.457 SPS=1233
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.99446386 -6.7004914 -6.32514572] Rg = 6.4572196
median bond size is 0.9669473413472299
three shortest/longest (<10)/ bonds are [0.89228192 0.89462227 0.89540845] [1.08917798 1.09594995 1.1124131 ]
95 percentile of distance to center is: 8.989621613573718
density of closest 95% monomers is: 0.4233216199991243
density of the core monomers is: 0.7180814789689232
min/median/mean/max coordinates are:
x: -22.57, -14.97, -14.99, -6.23
y: -15.75, -6.84, -6.70, 2.49
z: -15.08, -6.34, -6.33, 3.69
Statistics for velocities:
mean kinetic energy is: 1.4779870992862671 should be: 1.5
fastest particles are (in kT): [6.86414292 6.87810835 7.0783031 7.15399298 8.3267653 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.211965915376105
bl=3200 pos[1]=[-23.0 -1.9 -1.4] dr=1.36 t=34000.0ps kin=1.52 pot=20.25 Rg=6.445 SPS=1002
bl=3201 pos[1]=[-22.5 -1.9 -3.0] dr=1.33 t=34010.0ps kin=1.48 pot=20.18 Rg=6.410 SPS=701
bl=3202 pos[1]=[-18.6 -2.3 -4.6] dr=1.30 t=34020.0ps kin=1.53 pot=20.24 Rg=6.421 SPS=703
bl=3203 pos[1]=[-19.4 -1.9 -4.4] dr=1.35 t=34030.0ps kin=1.54 pot=20.23 Rg=6.426 SPS=830
bl=3204 pos[1]=[-18.9 -2.2 -4.7] dr=1.38 t=34040.0ps kin=1.49 pot=20.21 Rg=6.444 SPS=726
bl=3205 pos[1]=[-18.9 -2.2 -3.5] dr=1.34 t=34050.0ps kin=1.50 pot=20.21 Rg=6.512 SPS=1219
bl=3206 pos[1]=[-19.4 -3.5 -2.6] dr=1.37 t=34060.0ps kin=1.49 pot=20.22 Rg=6.469 SPS=1278
bl=3207 pos[1]=[-19.6 -3.1 -2.8] dr=1.37 t=34070.0ps kin=1.44 pot=20.22 Rg=6.411 SPS=1283
bl=3208 pos[1]=[-19.2 -3.8 -0.9] dr=1.29 t=34080.0ps kin=1.53 pot=20.22 Rg=6.365 SPS=895
bl=3209 pos[1]=[-18.2 -4.0 -0.4] dr=1.33 t=34090.0ps kin=1.48 pot=20.24 Rg=6.432 SPS=1197
bl=3210 pos[1]=[-18.8 -4.3 -0.7] dr=1.31 t=34100.0ps kin=1.48 pot=20.29 Rg=6.418 SPS=1268
bl=3211 pos[1]=[-18.8 -2.1 -2.7] dr=1.28 t=34110.0ps kin=1.47 pot=20.24 Rg=6.407 SPS=800
bl=3212 pos[1]=[-18.8 -1.0 0.7] dr=1.38 t=34120.0ps kin=1.53 pot=20.20 Rg=6.377 SPS=710
bl=3213 pos[1]=[-16.8 -0.5 1.6] dr=1.31 t=34130.0ps kin=1.54 pot=20.21 Rg=6.426 SPS=858
bl=3214 pos[1]=[-18.2 -1.5 0.9] dr=1.30 t=34140.0ps kin=1.50 pot=20.23 Rg=6.389 SPS=690
bl=3215 pos[1]=[-17.9 -2.0 1.8] dr=1.31 t=34150.0ps kin=1.51 pot=20.21 Rg=6.437 SPS=989
bl=3216 pos[1]=[-17.2 -2.7 0.3] dr=1.35 t=34160.0ps kin=1.51 pot=20.26 Rg=6.398 SPS=1292
bl=3217 pos[1]=[-19.6 -1.2 -1.0] dr=1.29 t=34170.0ps kin=1.54 pot=20.19 Rg=6.343 SPS=1128
bl=3218 pos[1]=[-19.4 -1.6 -2.5] dr=1.29 t=34180.0ps kin=1.48 pot=20.21 Rg=6.326 SPS=1267
bl=3219 pos[1]=[-19.1 -2.1 -2.3] dr=1.29 t=34190.0ps kin=1.50 pot=20.17 Rg=6.322 SPS=1297
bl=3220 pos[1]=[-17.3 -4.3 -1.3] dr=1.33 t=34200.0ps kin=1.50 pot=20.19 Rg=6.348 SPS=1293
bl=3221 pos[1]=[-16.3 -3.3 -1.7] dr=1.28 t=34210.0ps kin=1.54 pot=20.19 Rg=6.365 SPS=1306
bl=3222 pos[1]=[-16.5 -3.0 -1.6] dr=1.33 t=34220.0ps kin=1.46 pot=20.19 Rg=6.307 SPS=1180
bl=3223 pos[1]=[-17.5 -2.7 -1.0] dr=1.31 t=34230.0ps kin=1.51 pot=20.16 Rg=6.323 SPS=1124
bl=3224 pos[1]=[-17.3 -3.0 -0.2] dr=1.28 t=34240.0ps kin=1.45 pot=20.16 Rg=6.337 SPS=1228
bl=3225 pos[1]=[-17.3 -2.9 0.7] dr=1.25 t=34250.0ps kin=1.42 pot=20.18 Rg=6.348 SPS=1305
bl=3226 pos[1]=[-17.6 -1.3 1.3] dr=1.29 t=34260.0ps kin=1.50 pot=20.16 Rg=6.349 SPS=1313
bl=3227 pos[1]=[-17.9 -1.3 1.3] dr=1.30 t=34270.0ps kin=1.49 pot=20.16 Rg=6.331 SPS=1290
bl=3228 pos[1]=[-18.3 -1.2 2.4] dr=1.30 t=34280.0ps kin=1.44 pot=20.20 Rg=6.433 SPS=1292
bl=3229 pos[1]=[-18.6 -1.6 1.7] dr=1.29 t=34290.0ps kin=1.50 pot=20.20 Rg=6.387 SPS=1311
bl=3230 pos[1]=[-18.1 0.5 -1.5] dr=1.29 t=34300.0ps kin=1.53 pot=20.23 Rg=6.457 SPS=1044
bl=3231 pos[1]=[-18.2 0.6 -2.7] dr=1.31 t=34310.0ps kin=1.50 pot=20.26 Rg=6.452 SPS=1312
bl=3232 pos[1]=[-15.8 -0.1 0.9] dr=1.36 t=34320.0ps kin=1.51 pot=20.25 Rg=6.472 SPS=1329
bl=3233 pos[1]=[-14.7 -2.1 1.6] dr=1.33 t=34330.0ps kin=1.50 pot=20.23 Rg=6.467 SPS=1321
bl=3234 pos[1]=[-15.2 -1.1 1.8] dr=1.38 t=34340.0ps kin=1.50 pot=20.34 Rg=6.494 SPS=1178
bl=3235 pos[1]=[-14.9 0.0 3.5] dr=1.33 t=34350.0ps kin=1.54 pot=20.28 Rg=6.575 SPS=1330
bl=3236 pos[1]=[-15.6 1.8 2.0] dr=1.33 t=34360.0ps kin=1.53 pot=20.25 Rg=6.559 SPS=1311
bl=3237 pos[1]=[-17.2 0.1 -0.4] dr=1.34 t=34370.0ps kin=1.55 pot=20.27 Rg=6.581 SPS=1333
bl=3238 pos[1]=[-16.4 1.2 0.9] dr=1.41 t=34380.0ps kin=1.48 pot=20.32 Rg=6.519 SPS=1316
bl=3239 pos[1]=[-15.2 2.8 2.9] dr=1.29 t=34390.0ps kin=1.50 pot=20.23 Rg=6.462 SPS=1328
bl=3240 pos[1]=[-16.3 -0.2 1.2] dr=1.39 t=34400.0ps kin=1.48 pot=20.22 Rg=6.418 SPS=1300
bl=3241 pos[1]=[-14.7 -1.2 1.8] dr=1.40 t=34410.0ps kin=1.50 pot=20.23 Rg=6.396 SPS=1275
bl=3242 pos[1]=[-16.2 -0.7 1.7] dr=1.38 t=34420.0ps kin=1.50 pot=20.29 Rg=6.464 SPS=1311
bl=3243 pos[1]=[-16.3 -1.0 1.3] dr=1.37 t=34430.0ps kin=1.56 pot=20.21 Rg=6.508 SPS=1218
bl=3244 pos[1]=[-15.5 -1.6 0.2] dr=1.34 t=34440.0ps kin=1.55 pot=20.22 Rg=6.491 SPS=1301
bl=3245 pos[1]=[-14.9 -1.4 -0.9] dr=1.35 t=34450.0ps kin=1.58 pot=20.24 Rg=6.543 SPS=1290
bl=3246 pos[1]=[-14.7 -0.2 -2.2] dr=1.36 t=34460.0ps kin=1.48 pot=20.29 Rg=6.521 SPS=1320
bl=3247 pos[1]=[-14.7 -0.8 -0.8] dr=1.32 t=34470.0ps kin=1.52 pot=20.26 Rg=6.552 SPS=1301
bl=3248 pos[1]=[-15.5 -2.7 -1.8] dr=1.33 t=34480.0ps kin=1.47 pot=20.25 Rg=6.506 SPS=1330
bl=3249 pos[1]=[-15.4 -1.9 -2.2] dr=1.31 t=34490.0ps kin=1.46 pot=20.25 Rg=6.453 SPS=1187
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.04523511 -5.86637872 -6.02547897] Rg = 6.453465
median bond size is 0.9657967718958717
three shortest/longest (<10)/ bonds are [0.88076169 0.88444282 0.88498339] [1.0774729 1.0816637 1.1284931]
95 percentile of distance to center is: 9.044619159632774
density of closest 95% monomers is: 0.41564621600081425
density of the core monomers is: 0.6618907042763542
min/median/mean/max coordinates are:
x: -22.56, -15.16, -15.05, -6.78
y: -15.08, -5.79, -5.87, 4.75
z: -16.29, -5.99, -6.03, 3.41
Statistics for velocities:
mean kinetic energy is: 1.4671927928996917 should be: 1.5
fastest particles are (in kT): [ 6.51521721 6.94821566 7.00911031 8.67523213 11.52605824]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.254116542219762
bl=3250 pos[1]=[-15.5 -2.4 -1.8] dr=1.29 t=34500.0ps kin=1.48 pot=20.34 Rg=6.481 SPS=1273
bl=3251 pos[1]=[-14.6 -2.6 -1.9] dr=1.34 t=34510.0ps kin=1.47 pot=20.23 Rg=6.444 SPS=1333
bl=3252 pos[1]=[-15.3 -2.2 -1.5] dr=1.29 t=34520.0ps kin=1.50 pot=20.19 Rg=6.424 SPS=1148
bl=3253 pos[1]=[-16.3 -2.3 -1.4] dr=1.34 t=34530.0ps kin=1.49 pot=20.21 Rg=6.481 SPS=716
bl=3254 pos[1]=[-16.1 -0.8 -0.4] dr=1.32 t=34540.0ps kin=1.51 pot=20.27 Rg=6.513 SPS=732
bl=3255 pos[1]=[-14.6 -0.9 0.5] dr=1.29 t=34550.0ps kin=1.53 pot=20.24 Rg=6.484 SPS=709
bl=3256 pos[1]=[-14.9 -1.2 1.3] dr=1.40 t=34560.0ps kin=1.53 pot=20.21 Rg=6.468 SPS=725
bl=3257 pos[1]=[-17.1 -1.3 1.1] dr=1.35 t=34570.0ps kin=1.55 pot=20.25 Rg=6.426 SPS=880
bl=3258 pos[1]=[-16.4 0.9 3.1] dr=1.37 t=34580.0ps kin=1.55 pot=20.24 Rg=6.574 SPS=1018
bl=3259 pos[1]=[-14.3 -1.1 2.5] dr=1.39 t=34590.0ps kin=1.51 pot=20.27 Rg=6.572 SPS=944
bl=3260 pos[1]=[-16.9 -1.3 0.9] dr=1.36 t=34600.0ps kin=1.53 pot=20.30 Rg=6.524 SPS=823
bl=3261 pos[1]=[-14.7 -0.7 1.0] dr=1.30 t=34610.0ps kin=1.47 pot=20.25 Rg=6.507 SPS=1257
bl=3262 pos[1]=[-13.8 -0.3 0.8] dr=1.28 t=34620.0ps kin=1.47 pot=20.29 Rg=6.554 SPS=902
bl=3263 pos[1]=[-15.8 -1.6 1.4] dr=1.33 t=34630.0ps kin=1.47 pot=20.30 Rg=6.596 SPS=745
bl=3264 pos[1]=[-16.5 -2.2 0.7] dr=1.33 t=34640.0ps kin=1.58 pot=20.28 Rg=6.487 SPS=1033
bl=3265 pos[1]=[-16.7 -2.2 -0.2] dr=1.30 t=34650.0ps kin=1.54 pot=20.31 Rg=6.529 SPS=896
bl=3266 pos[1]=[-17.6 -2.4 -1.5] dr=1.33 t=34660.0ps kin=1.50 pot=20.27 Rg=6.487 SPS=1155
bl=3267 pos[1]=[-17.5 -1.2 -2.5] dr=1.29 t=34670.0ps kin=1.58 pot=20.20 Rg=6.383 SPS=1324
bl=3268 pos[1]=[-16.9 -1.9 -2.0] dr=1.34 t=34680.0ps kin=1.58 pot=20.18 Rg=6.409 SPS=1286
bl=3269 pos[1]=[-18.0 -1.7 -2.0] dr=1.36 t=34690.0ps kin=1.54 pot=20.18 Rg=6.459 SPS=1319
bl=3270 pos[1]=[-17.7 -1.9 -2.2] dr=1.29 t=34700.0ps kin=1.51 pot=20.20 Rg=6.471 SPS=1345
bl=3271 pos[1]=[-16.8 -2.8 -0.5] dr=1.30 t=34710.0ps kin=1.50 pot=20.26 Rg=6.451 SPS=1304
bl=3272 pos[1]=[-18.4 -2.1 -0.8] dr=1.36 t=34720.0ps kin=1.50 pot=20.22 Rg=6.424 SPS=1278
bl=3273 pos[1]=[-18.5 -1.9 -1.8] dr=1.33 t=34730.0ps kin=1.53 pot=20.26 Rg=6.409 SPS=1228
bl=3274 pos[1]=[-17.5 -1.3 -2.4] dr=1.35 t=34740.0ps kin=1.49 pot=20.26 Rg=6.402 SPS=920
bl=3275 pos[1]=[-18.2 -0.7 -3.7] dr=1.29 t=34750.0ps kin=1.54 pot=20.19 Rg=6.420 SPS=682
bl=3276 pos[1]=[-17.4 -1.3 -3.1] dr=1.35 t=34760.0ps kin=1.52 pot=20.27 Rg=6.487 SPS=692
bl=3277 pos[1]=[-17.3 -2.2 -2.6] dr=1.34 t=34770.0ps kin=1.49 pot=20.22 Rg=6.407 SPS=889
bl=3278 pos[1]=[-16.3 -1.3 -2.9] dr=1.35 t=34780.0ps kin=1.53 pot=20.17 Rg=6.466 SPS=1215
bl=3279 pos[1]=[-15.6 0.7 -2.9] dr=1.40 t=34790.0ps kin=1.48 pot=20.28 Rg=6.469 SPS=1337
bl=3280 pos[1]=[-19.4 1.2 -1.2] dr=1.30 t=34800.0ps kin=1.53 pot=20.22 Rg=6.419 SPS=1267
bl=3281 pos[1]=[-19.6 -1.4 -0.6] dr=1.34 t=34810.0ps kin=1.49 pot=20.23 Rg=6.470 SPS=1335
bl=3282 pos[1]=[-20.0 -0.2 -2.4] dr=1.33 t=34820.0ps kin=1.50 pot=20.24 Rg=6.460 SPS=1349
bl=3283 pos[1]=[-21.5 0.0 -3.6] dr=1.31 t=34830.0ps kin=1.46 pot=20.28 Rg=6.416 SPS=1323
bl=3284 pos[1]=[-21.2 0.8 -5.8] dr=1.31 t=34840.0ps kin=1.47 pot=20.24 Rg=6.378 SPS=1346
bl=3285 pos[1]=[-20.1 -0.6 -6.3] dr=1.32 t=34850.0ps kin=1.51 pot=20.22 Rg=6.387 SPS=1252
bl=3286 pos[1]=[-20.3 -1.7 -3.6] dr=1.29 t=34860.0ps kin=1.51 pot=20.18 Rg=6.441 SPS=753
bl=3287 pos[1]=[-18.6 -0.2 -4.0] dr=1.36 t=34870.0ps kin=1.51 pot=20.22 Rg=6.450 SPS=1089
bl=3288 pos[1]=[-18.8 -0.5 -4.8] dr=1.34 t=34880.0ps kin=1.52 pot=20.29 Rg=6.438 SPS=1171
bl=3289 pos[1]=[-19.7 -1.7 -4.9] dr=1.31 t=34890.0ps kin=1.53 pot=20.23 Rg=6.466 SPS=1172
bl=3290 pos[1]=[-19.1 -2.1 -4.9] dr=1.34 t=34900.0ps kin=1.50 pot=20.22 Rg=6.478 SPS=1137
bl=3291 pos[1]=[-20.2 -1.9 -6.4] dr=1.35 t=34910.0ps kin=1.58 pot=20.21 Rg=6.469 SPS=1202
bl=3292 pos[1]=[-21.5 0.5 -2.3] dr=1.44 t=34920.0ps kin=1.46 pot=20.26 Rg=6.436 SPS=1079
bl=3293 pos[1]=[-21.7 -0.6 -2.2] dr=1.32 t=34930.0ps kin=1.45 pot=20.19 Rg=6.393 SPS=1252
bl=3294 pos[1]=[-20.3 -1.7 -3.7] dr=1.28 t=34940.0ps kin=1.51 pot=20.22 Rg=6.463 SPS=1125
bl=3295 pos[1]=[-20.2 -4.3 -2.5] dr=1.34 t=34950.0ps kin=1.51 pot=20.21 Rg=6.370 SPS=1285
bl=3296 pos[1]=[-19.7 -2.8 -4.1] dr=1.35 t=34960.0ps kin=1.50 pot=20.26 Rg=6.440 SPS=994
bl=3297 pos[1]=[-18.9 -1.3 -6.0] dr=1.38 t=34970.0ps kin=1.49 pot=20.23 Rg=6.494 SPS=974
bl=3298 pos[1]=[-17.7 -1.0 -6.5] dr=1.36 t=34980.0ps kin=1.48 pot=20.26 Rg=6.452 SPS=1106
bl=3299 pos[1]=[-17.5 -1.7 -6.5] dr=1.31 t=34990.0ps kin=1.53 pot=20.21 Rg=6.396 SPS=757
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.98431703 -5.23772277 -8.25895126] Rg = 6.3959107
median bond size is 0.9642645638616271
three shortest/longest (<10)/ bonds are [0.88302563 0.88532625 0.8915335 ] [1.06767213 1.07568428 1.09125823]
95 percentile of distance to center is: 8.962248277905593
density of closest 95% monomers is: 0.4272123244686329
density of the core monomers is: 0.7625092515907244
min/median/mean/max coordinates are:
x: -23.81, -14.77, -14.98, -7.13
y: -15.10, -5.13, -5.24, 3.82
z: -15.98, -8.30, -8.26, -0.29
Statistics for velocities:
mean kinetic energy is: 1.5318492430218629 should be: 1.5
fastest particles are (in kT): [6.80484709 6.98212946 8.35061862 8.52899264 8.67393281]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.212271271202063
bl=3300 pos[1]=[-19.0 -1.8 -5.2] dr=1.31 t=35000.0ps kin=1.48 pot=20.25 Rg=6.485 SPS=1046
bl=3301 pos[1]=[-19.4 -2.7 -1.4] dr=1.39 t=35010.0ps kin=1.49 pot=20.27 Rg=6.528 SPS=721
bl=3302 pos[1]=[-20.0 -4.4 -2.5] dr=1.39 t=35020.0ps kin=1.51 pot=20.24 Rg=6.430 SPS=987
bl=3303 pos[1]=[-20.5 -4.4 -2.5] dr=1.33 t=35030.0ps kin=1.48 pot=20.22 Rg=6.439 SPS=1190
bl=3304 pos[1]=[-18.5 -4.8 -2.4] dr=1.34 t=35040.0ps kin=1.49 pot=20.15 Rg=6.398 SPS=929
bl=3305 pos[1]=[-19.0 -4.0 -1.6] dr=1.30 t=35050.0ps kin=1.49 pot=20.20 Rg=6.437 SPS=748
bl=3306 pos[1]=[-20.1 -3.8 -1.4] dr=1.34 t=35060.0ps kin=1.46 pot=20.26 Rg=6.487 SPS=978
bl=3307 pos[1]=[-21.3 -4.6 -1.4] dr=1.31 t=35070.0ps kin=1.48 pot=20.17 Rg=6.431 SPS=1045
bl=3308 pos[1]=[-20.9 -4.1 -0.4] dr=1.32 t=35080.0ps kin=1.47 pot=20.21 Rg=6.520 SPS=1107
bl=3309 pos[1]=[-23.5 -2.7 -0.8] dr=1.34 t=35090.0ps kin=1.50 pot=20.22 Rg=6.535 SPS=1399
bl=3310 pos[1]=[-21.8 -4.9 -1.8] dr=1.43 t=35100.0ps kin=1.53 pot=20.27 Rg=6.563 SPS=1401
bl=3311 pos[1]=[-23.4 -5.6 -0.7] dr=1.37 t=35110.0ps kin=1.50 pot=20.23 Rg=6.558 SPS=1304
bl=3312 pos[1]=[-22.1 -5.3 -2.4] dr=1.42 t=35120.0ps kin=1.44 pot=20.27 Rg=6.586 SPS=1327
bl=3313 pos[1]=[-20.0 -5.1 -2.6] dr=1.36 t=35130.0ps kin=1.52 pot=20.22 Rg=6.482 SPS=1126
bl=3314 pos[1]=[-20.4 -5.3 -3.2] dr=1.32 t=35140.0ps kin=1.48 pot=20.27 Rg=6.529 SPS=1019
bl=3315 pos[1]=[-20.9 -5.8 -1.2] dr=1.30 t=35150.0ps kin=1.52 pot=20.21 Rg=6.495 SPS=898
bl=3316 pos[1]=[-18.8 -5.0 0.5] dr=1.27 t=35160.0ps kin=1.52 pot=20.24 Rg=6.408 SPS=1141
bl=3317 pos[1]=[-20.2 -3.7 1.3] dr=1.35 t=35170.0ps kin=1.49 pot=20.25 Rg=6.400 SPS=1036
bl=3318 pos[1]=[-19.6 -4.7 0.6] dr=1.34 t=35180.0ps kin=1.52 pot=20.19 Rg=6.375 SPS=715
bl=3319 pos[1]=[-17.8 -3.1 0.5] dr=1.33 t=35190.0ps kin=1.47 pot=20.26 Rg=6.486 SPS=874
bl=3320 pos[1]=[-16.9 -4.2 0.2] dr=1.37 t=35200.0ps kin=1.49 pot=20.20 Rg=6.452 SPS=786
bl=3321 pos[1]=[-17.1 -5.4 1.9] dr=1.34 t=35210.0ps kin=1.54 pot=20.24 Rg=6.486 SPS=933
bl=3322 pos[1]=[-17.4 -3.6 -0.2] dr=1.36 t=35220.0ps kin=1.55 pot=20.30 Rg=6.467 SPS=821
bl=3323 pos[1]=[-18.7 -3.1 0.6] dr=1.32 t=35230.0ps kin=1.55 pot=20.24 Rg=6.403 SPS=744
bl=3324 pos[1]=[-20.3 -2.9 -0.6] dr=1.36 t=35240.0ps kin=1.48 pot=20.23 Rg=6.427 SPS=1120
bl=3325 pos[1]=[-20.2 -3.0 -2.0] dr=1.36 t=35250.0ps kin=1.53 pot=20.23 Rg=6.495 SPS=1331
bl=3326 pos[1]=[-20.8 -2.3 -1.2] dr=1.30 t=35260.0ps kin=1.48 pot=20.24 Rg=6.474 SPS=1299
bl=3327 pos[1]=[-21.7 -1.3 1.8] dr=1.35 t=35270.0ps kin=1.55 pot=20.22 Rg=6.482 SPS=1092
bl=3328 pos[1]=[-22.6 -2.0 -1.4] dr=1.33 t=35280.0ps kin=1.51 pot=20.30 Rg=6.512 SPS=1154
bl=3329 pos[1]=[-22.1 -1.7 -1.8] dr=1.28 t=35290.0ps kin=1.54 pot=20.20 Rg=6.460 SPS=1316
bl=3330 pos[1]=[-21.8 -1.8 -2.8] dr=1.27 t=35300.0ps kin=1.53 pot=20.28 Rg=6.481 SPS=911
bl=3331 pos[1]=[-20.3 -2.2 -3.6] dr=1.33 t=35310.0ps kin=1.54 pot=20.24 Rg=6.511 SPS=754
bl=3332 pos[1]=[-20.3 -2.4 -4.1] dr=1.28 t=35320.0ps kin=1.54 pot=20.28 Rg=6.480 SPS=1276
bl=3333 pos[1]=[-20.9 -2.0 -5.6] dr=1.34 t=35330.0ps kin=1.55 pot=20.24 Rg=6.470 SPS=976
bl=3334 pos[1]=[-21.8 -0.0 -5.4] dr=1.38 t=35340.0ps kin=1.51 pot=20.27 Rg=6.519 SPS=1094
bl=3335 pos[1]=[-20.9 -0.2 -5.1] dr=1.30 t=35350.0ps kin=1.53 pot=20.26 Rg=6.469 SPS=898
bl=3336 pos[1]=[-22.2 0.8 -4.7] dr=1.35 t=35360.0ps kin=1.48 pot=20.25 Rg=6.481 SPS=1093
bl=3337 pos[1]=[-19.9 1.1 -2.7] dr=1.30 t=35370.0ps kin=1.51 pot=20.21 Rg=6.447 SPS=1073
bl=3338 pos[1]=[-19.3 1.1 -4.1] dr=1.36 t=35380.0ps kin=1.45 pot=20.22 Rg=6.501 SPS=1026
bl=3339 pos[1]=[-18.4 3.1 -5.4] dr=1.34 t=35390.0ps kin=1.44 pot=20.17 Rg=6.453 SPS=881
bl=3340 pos[1]=[-17.2 2.6 -4.1] dr=1.28 t=35400.0ps kin=1.50 pot=20.11 Rg=6.371 SPS=755
bl=3341 pos[1]=[-17.1 2.8 -4.3] dr=1.31 t=35410.0ps kin=1.48 pot=20.15 Rg=6.426 SPS=1139
bl=3342 pos[1]=[-18.7 3.7 -3.5] dr=1.27 t=35420.0ps kin=1.46 pot=20.19 Rg=6.422 SPS=1120
bl=3343 pos[1]=[-21.2 1.7 -3.9] dr=1.35 t=35430.0ps kin=1.54 pot=20.15 Rg=6.462 SPS=1352
bl=3344 pos[1]=[-20.6 1.9 -2.1] dr=1.33 t=35440.0ps kin=1.46 pot=20.24 Rg=6.484 SPS=806
bl=3345 pos[1]=[-21.0 1.6 -3.7] dr=1.38 t=35450.0ps kin=1.49 pot=20.20 Rg=6.448 SPS=846
bl=3346 pos[1]=[-21.3 2.4 -5.0] dr=1.38 t=35460.0ps kin=1.49 pot=20.24 Rg=6.478 SPS=908
bl=3347 pos[1]=[-21.9 1.7 -2.4] dr=1.37 t=35470.0ps kin=1.52 pot=20.23 Rg=6.536 SPS=822
bl=3348 pos[1]=[-21.0 1.0 -0.9] dr=1.35 t=35480.0ps kin=1.54 pot=20.30 Rg=6.521 SPS=703
bl=3349 pos[1]=[-19.8 -1.5 -0.9] dr=1.36 t=35490.0ps kin=1.51 pot=20.27 Rg=6.512 SPS=770
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.67659664 -6.31937029 -7.88567064] Rg = 6.512199
median bond size is 0.9655006841948872
three shortest/longest (<10)/ bonds are [0.88190603 0.88700692 0.89181018] [1.08738097 1.08887666 1.11750322]
95 percentile of distance to center is: 9.205710924195206
density of closest 95% monomers is: 0.39420550613814115
density of the core monomers is: 0.7080667847259534
min/median/mean/max coordinates are:
x: -24.80, -15.67, -15.68, -7.02
y: -16.35, -6.21, -6.32, 3.43
z: -16.96, -7.73, -7.89, 0.93
Statistics for velocities:
mean kinetic energy is: 1.517516651385087 should be: 1.5
fastest particles are (in kT): [6.75541444 6.77674402 6.80655879 6.82298085 7.04348329]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.27181565726401
bl=3350 pos[1]=[-19.8 -2.9 0.3] dr=1.34 t=35500.0ps kin=1.54 pot=20.32 Rg=6.524 SPS=898
bl=3351 pos[1]=[-19.6 -1.5 -0.6] dr=1.35 t=35510.0ps kin=1.61 pot=20.28 Rg=6.563 SPS=928
bl=3352 pos[1]=[-19.2 -2.9 -0.2] dr=1.35 t=35520.0ps kin=1.49 pot=20.25 Rg=6.544 SPS=930
bl=3353 pos[1]=[-18.6 -3.5 -1.1] dr=1.25 t=35530.0ps kin=1.50 pot=20.19 Rg=6.542 SPS=1057
bl=3354 pos[1]=[-17.7 -2.5 -0.6] dr=1.33 t=35540.0ps kin=1.50 pot=20.24 Rg=6.477 SPS=1348
bl=3355 pos[1]=[-19.7 -2.0 -0.4] dr=1.32 t=35550.0ps kin=1.55 pot=20.32 Rg=6.487 SPS=1331
bl=3356 pos[1]=[-19.4 -2.6 -1.3] dr=1.36 t=35560.0ps kin=1.54 pot=20.33 Rg=6.477 SPS=1337
bl=3357 pos[1]=[-19.2 -3.7 -2.9] dr=1.29 t=35570.0ps kin=1.57 pot=20.23 Rg=6.507 SPS=1316
bl=3358 pos[1]=[-19.4 -3.7 -1.2] dr=1.36 t=35580.0ps kin=1.53 pot=20.27 Rg=6.517 SPS=1352
bl=3359 pos[1]=[-19.5 -5.4 -3.5] dr=1.34 t=35590.0ps kin=1.48 pot=20.29 Rg=6.508 SPS=1331
bl=3360 pos[1]=[-20.0 -5.3 -3.2] dr=1.37 t=35600.0ps kin=1.53 pot=20.22 Rg=6.502 SPS=1345
bl=3361 pos[1]=[-20.1 -5.6 -3.1] dr=1.33 t=35610.0ps kin=1.44 pot=20.24 Rg=6.474 SPS=1302
bl=3362 pos[1]=[-19.2 -5.1 -2.7] dr=1.31 t=35620.0ps kin=1.46 pot=20.17 Rg=6.506 SPS=1351
bl=3363 pos[1]=[-19.9 -5.2 -2.8] dr=1.32 t=35630.0ps kin=1.50 pot=20.24 Rg=6.494 SPS=1344
bl=3364 pos[1]=[-20.3 -5.1 -2.3] dr=1.28 t=35640.0ps kin=1.51 pot=20.21 Rg=6.498 SPS=1330
bl=3365 pos[1]=[-21.6 -3.8 -3.1] dr=1.37 t=35650.0ps kin=1.51 pot=20.24 Rg=6.424 SPS=1291
bl=3366 pos[1]=[-22.0 -3.2 -2.1] dr=1.34 t=35660.0ps kin=1.49 pot=20.28 Rg=6.447 SPS=1342
bl=3367 pos[1]=[-21.8 -3.4 -2.4] dr=1.34 t=35670.0ps kin=1.49 pot=20.17 Rg=6.399 SPS=1333
bl=3368 pos[1]=[-21.6 -4.0 -2.5] dr=1.35 t=35680.0ps kin=1.46 pot=20.20 Rg=6.427 SPS=1318
bl=3369 pos[1]=[-22.2 -4.2 -4.7] dr=1.31 t=35690.0ps kin=1.47 pot=20.27 Rg=6.458 SPS=1157
bl=3370 pos[1]=[-22.1 -4.8 -5.7] dr=1.37 t=35700.0ps kin=1.48 pot=20.25 Rg=6.485 SPS=1319
bl=3371 pos[1]=[-22.2 -4.7 -6.1] dr=1.36 t=35710.0ps kin=1.51 pot=20.19 Rg=6.538 SPS=1250
bl=3372 pos[1]=[-22.9 -1.9 -3.0] dr=1.37 t=35720.0ps kin=1.47 pot=20.19 Rg=6.460 SPS=1100
bl=3373 pos[1]=[-19.2 -1.5 -0.4] dr=1.32 t=35730.0ps kin=1.50 pot=20.25 Rg=6.569 SPS=1376
bl=3374 pos[1]=[-20.2 -2.1 -1.6] dr=1.38 t=35740.0ps kin=1.51 pot=20.28 Rg=6.622 SPS=1394
bl=3375 pos[1]=[-22.1 -3.8 -3.1] dr=1.36 t=35750.0ps kin=1.59 pot=20.25 Rg=6.636 SPS=1396
bl=3376 pos[1]=[-21.9 -2.3 -3.5] dr=1.41 t=35760.0ps kin=1.48 pot=20.30 Rg=6.626 SPS=1171
bl=3377 pos[1]=[-20.7 -2.5 -4.3] dr=1.37 t=35770.0ps kin=1.52 pot=20.23 Rg=6.495 SPS=1173
bl=3378 pos[1]=[-20.3 -2.5 -5.2] dr=1.39 t=35780.0ps kin=1.48 pot=20.22 Rg=6.469 SPS=950
bl=3379 pos[1]=[-19.5 -3.8 -6.1] dr=1.36 t=35790.0ps kin=1.48 pot=20.18 Rg=6.340 SPS=1271
bl=3380 pos[1]=[-20.4 -3.7 -5.9] dr=1.31 t=35800.0ps kin=1.52 pot=20.17 Rg=6.383 SPS=1325
bl=3381 pos[1]=[-21.0 -3.7 -6.5] dr=1.29 t=35810.0ps kin=1.52 pot=20.17 Rg=6.374 SPS=1310
bl=3382 pos[1]=[-20.4 -2.9 -7.7] dr=1.34 t=35820.0ps kin=1.46 pot=20.14 Rg=6.305 SPS=1288
bl=3383 pos[1]=[-20.3 -3.6 -8.6] dr=1.37 t=35830.0ps kin=1.54 pot=20.13 Rg=6.391 SPS=1307
bl=3384 pos[1]=[-20.4 -3.2 -8.1] dr=1.32 t=35840.0ps kin=1.54 pot=20.17 Rg=6.380 SPS=1235
bl=3385 pos[1]=[-22.1 -3.2 -8.3] dr=1.29 t=35850.0ps kin=1.51 pot=20.27 Rg=6.441 SPS=1267
bl=3386 pos[1]=[-21.2 -2.8 -7.3] dr=1.40 t=35860.0ps kin=1.50 pot=20.26 Rg=6.491 SPS=1316
bl=3387 pos[1]=[-20.5 -2.4 -6.5] dr=1.41 t=35870.0ps kin=1.55 pot=20.23 Rg=6.438 SPS=1356
bl=3388 pos[1]=[-20.1 -2.7 -6.0] dr=1.37 t=35880.0ps kin=1.46 pot=20.26 Rg=6.487 SPS=1291
bl=3389 pos[1]=[-20.3 -2.7 -5.1] dr=1.34 t=35890.0ps kin=1.54 pot=20.16 Rg=6.409 SPS=1316
bl=3390 pos[1]=[-21.5 -2.6 -4.4] dr=1.31 t=35900.0ps kin=1.50 pot=20.22 Rg=6.486 SPS=1343
bl=3391 pos[1]=[-20.4 -3.2 -4.7] dr=1.32 t=35910.0ps kin=1.51 pot=20.23 Rg=6.439 SPS=1322
bl=3392 pos[1]=[-22.1 -3.4 -5.3] dr=1.34 t=35920.0ps kin=1.45 pot=20.23 Rg=6.422 SPS=1324
bl=3393 pos[1]=[-23.0 -2.5 -8.2] dr=1.32 t=35930.0ps kin=1.52 pot=20.15 Rg=6.379 SPS=1323
bl=3394 pos[1]=[-23.2 -3.8 -7.1] dr=1.23 t=35940.0ps kin=1.51 pot=20.17 Rg=6.474 SPS=1268
bl=3395 pos[1]=[-24.6 -2.6 -6.1] dr=1.29 t=35950.0ps kin=1.49 pot=20.19 Rg=6.443 SPS=1296
bl=3396 pos[1]=[-22.8 -2.9 -5.9] dr=1.31 t=35960.0ps kin=1.49 pot=20.21 Rg=6.471 SPS=1302
bl=3397 pos[1]=[-23.5 -4.9 -7.5] dr=1.32 t=35970.0ps kin=1.51 pot=20.26 Rg=6.482 SPS=1318
bl=3398 pos[1]=[-23.0 -4.2 -8.1] dr=1.35 t=35980.0ps kin=1.53 pot=20.23 Rg=6.484 SPS=1325
bl=3399 pos[1]=[-21.6 -4.7 -8.1] dr=1.30 t=35990.0ps kin=1.50 pot=20.19 Rg=6.314 SPS=1284
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.91934837 -6.59055497 -8.2533681 ] Rg = 6.314259
median bond size is 0.9644719461824057
three shortest/longest (<10)/ bonds are [0.88050112 0.88626603 0.88707185] [1.07989369 1.08692986 1.09554035]
95 percentile of distance to center is: 8.785016727803342
density of closest 95% monomers is: 0.45359358844160547
density of the core monomers is: 0.6750730454190288
min/median/mean/max coordinates are:
x: -24.47, -15.87, -15.92, -8.22
y: -15.65, -6.64, -6.59, 3.76
z: -15.89, -8.14, -8.25, 0.42
Statistics for velocities:
mean kinetic energy is: 1.503736085819298 should be: 1.5
fastest particles are (in kT): [6.67331998 6.7862192 7.52903752 7.70293652 8.02752794]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.190782575129056
bl=3400 pos[1]=[-21.9 -4.6 -8.5] dr=1.35 t=36000.0ps kin=1.47 pot=20.23 Rg=6.428 SPS=1279
bl=3401 pos[1]=[-22.7 -5.8 -8.3] dr=1.29 t=36010.0ps kin=1.49 pot=20.24 Rg=6.413 SPS=1264
bl=3402 pos[1]=[-23.8 -6.0 -7.5] dr=1.31 t=36020.0ps kin=1.55 pot=20.22 Rg=6.400 SPS=1318
bl=3403 pos[1]=[-22.5 -8.3 -9.8] dr=1.34 t=36030.0ps kin=1.47 pot=20.23 Rg=6.378 SPS=1075
bl=3404 pos[1]=[-24.2 -11.1 -10.7] dr=1.36 t=36040.0ps kin=1.56 pot=20.21 Rg=6.400 SPS=712
bl=3405 pos[1]=[-21.9 -9.7 -8.2] dr=1.33 t=36050.0ps kin=1.54 pot=20.26 Rg=6.402 SPS=913
bl=3406 pos[1]=[-21.0 -10.4 -7.3] dr=1.28 t=36060.0ps kin=1.50 pot=20.26 Rg=6.418 SPS=1018
bl=3407 pos[1]=[-20.7 -10.9 -6.7] dr=1.36 t=36070.0ps kin=1.50 pot=20.20 Rg=6.476 SPS=753
bl=3408 pos[1]=[-19.4 -11.5 -6.0] dr=1.34 t=36080.0ps kin=1.53 pot=20.24 Rg=6.545 SPS=892
bl=3409 pos[1]=[-22.8 -8.3 -7.5] dr=1.43 t=36090.0ps kin=1.53 pot=20.21 Rg=6.543 SPS=1209
bl=3410 pos[1]=[-21.4 -9.3 -5.1] dr=1.37 t=36100.0ps kin=1.54 pot=20.27 Rg=6.515 SPS=1311
bl=3411 pos[1]=[-22.0 -11.9 -3.3] dr=1.39 t=36110.0ps kin=1.53 pot=20.28 Rg=6.489 SPS=1300
bl=3412 pos[1]=[-19.5 -9.9 -1.7] dr=1.37 t=36120.0ps kin=1.45 pot=20.25 Rg=6.541 SPS=1305
bl=3413 pos[1]=[-19.3 -10.0 -2.7] dr=1.32 t=36130.0ps kin=1.46 pot=20.23 Rg=6.542 SPS=935
bl=3414 pos[1]=[-20.3 -9.3 -4.2] dr=1.31 t=36140.0ps kin=1.50 pot=20.21 Rg=6.540 SPS=751
bl=3415 pos[1]=[-20.7 -8.0 -4.3] dr=1.33 t=36150.0ps kin=1.50 pot=20.23 Rg=6.526 SPS=712
bl=3416 pos[1]=[-19.9 -7.5 -5.6] dr=1.33 t=36160.0ps kin=1.51 pot=20.18 Rg=6.454 SPS=1017
bl=3417 pos[1]=[-19.7 -8.8 -6.2] dr=1.33 t=36170.0ps kin=1.47 pot=20.20 Rg=6.406 SPS=1087
bl=3418 pos[1]=[-21.8 -9.3 -6.7] dr=1.31 t=36180.0ps kin=1.48 pot=20.18 Rg=6.387 SPS=1087
bl=3419 pos[1]=[-22.8 -9.2 -6.8] dr=1.33 t=36190.0ps kin=1.47 pot=20.19 Rg=6.401 SPS=1203
bl=3420 pos[1]=[-24.1 -7.5 -7.7] dr=1.36 t=36200.0ps kin=1.55 pot=20.18 Rg=6.415 SPS=1137
bl=3421 pos[1]=[-23.8 -8.0 -7.0] dr=1.33 t=36210.0ps kin=1.46 pot=20.27 Rg=6.516 SPS=1110
bl=3422 pos[1]=[-23.3 -8.1 -6.4] dr=1.35 t=36220.0ps kin=1.50 pot=20.23 Rg=6.538 SPS=1074
bl=3423 pos[1]=[-24.9 -8.9 -6.9] dr=1.31 t=36230.0ps kin=1.52 pot=20.16 Rg=6.555 SPS=1004
bl=3424 pos[1]=[-25.0 -8.5 -5.2] dr=1.36 t=36240.0ps kin=1.49 pot=20.24 Rg=6.520 SPS=1206
bl=3425 pos[1]=[-25.0 -8.7 -4.5] dr=1.34 t=36250.0ps kin=1.49 pot=20.24 Rg=6.558 SPS=1323
bl=3426 pos[1]=[-22.9 -5.1 -4.2] dr=1.34 t=36260.0ps kin=1.47 pot=20.24 Rg=6.532 SPS=1133
bl=3427 pos[1]=[-21.9 -6.0 -2.5] dr=1.29 t=36270.0ps kin=1.50 pot=20.23 Rg=6.549 SPS=1267
bl=3428 pos[1]=[-24.1 -5.6 -4.2] dr=1.32 t=36280.0ps kin=1.54 pot=20.26 Rg=6.505 SPS=894
bl=3429 pos[1]=[-22.4 -5.2 -3.3] dr=1.31 t=36290.0ps kin=1.57 pot=20.22 Rg=6.551 SPS=1046
bl=3430 pos[1]=[-21.3 -5.3 -4.7] dr=1.35 t=36300.0ps kin=1.48 pot=20.24 Rg=6.658 SPS=1319
bl=3431 pos[1]=[-22.1 -5.4 -4.2] dr=1.35 t=36310.0ps kin=1.48 pot=20.22 Rg=6.486 SPS=1316
bl=3432 pos[1]=[-22.8 -7.4 -3.0] dr=1.25 t=36320.0ps kin=1.43 pot=20.20 Rg=6.436 SPS=1303
bl=3433 pos[1]=[-20.2 -8.0 -2.3] dr=1.36 t=36330.0ps kin=1.55 pot=20.17 Rg=6.356 SPS=1168
bl=3434 pos[1]=[-21.3 -6.4 -2.3] dr=1.32 t=36340.0ps kin=1.54 pot=20.22 Rg=6.390 SPS=1120
bl=3435 pos[1]=[-24.2 -5.3 -3.0] dr=1.30 t=36350.0ps kin=1.47 pot=20.23 Rg=6.435 SPS=924
bl=3436 pos[1]=[-22.7 -6.8 -2.2] dr=1.30 t=36360.0ps kin=1.52 pot=20.24 Rg=6.491 SPS=836
bl=3437 pos[1]=[-22.1 -9.3 -2.2] dr=1.30 t=36370.0ps kin=1.51 pot=20.25 Rg=6.496 SPS=939
bl=3438 pos[1]=[-20.2 -9.5 -1.6] dr=1.35 t=36380.0ps kin=1.51 pot=20.25 Rg=6.455 SPS=1128
bl=3439 pos[1]=[-20.9 -8.4 -1.4] dr=1.36 t=36390.0ps kin=1.51 pot=20.21 Rg=6.495 SPS=934
bl=3440 pos[1]=[-20.4 -7.0 -1.1] dr=1.29 t=36400.0ps kin=1.52 pot=20.21 Rg=6.514 SPS=1140
bl=3441 pos[1]=[-19.0 -7.1 0.1] dr=1.33 t=36410.0ps kin=1.52 pot=20.24 Rg=6.461 SPS=1022
bl=3442 pos[1]=[-19.0 -8.2 -0.2] dr=1.28 t=36420.0ps kin=1.54 pot=20.18 Rg=6.389 SPS=1017
bl=3443 pos[1]=[-18.6 -5.5 -1.0] dr=1.32 t=36430.0ps kin=1.50 pot=20.19 Rg=6.474 SPS=1106
bl=3444 pos[1]=[-18.5 -4.9 -2.1] dr=1.29 t=36440.0ps kin=1.50 pot=20.22 Rg=6.395 SPS=1310
bl=3445 pos[1]=[-18.5 -4.5 -2.4] dr=1.30 t=36450.0ps kin=1.54 pot=20.18 Rg=6.440 SPS=1294
bl=3446 pos[1]=[-18.7 -3.8 -3.2] dr=1.30 t=36460.0ps kin=1.51 pot=20.20 Rg=6.443 SPS=1299
bl=3447 pos[1]=[-20.0 -4.5 -3.9] dr=1.27 t=36470.0ps kin=1.51 pot=20.19 Rg=6.409 SPS=718
bl=3448 pos[1]=[-20.7 -3.7 -4.4] dr=1.32 t=36480.0ps kin=1.50 pot=20.20 Rg=6.448 SPS=1294
bl=3449 pos[1]=[-20.6 -4.6 -3.8] dr=1.33 t=36490.0ps kin=1.51 pot=20.22 Rg=6.454 SPS=1303
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.91760061 -6.77498162 -7.56380355] Rg = 6.4544725
median bond size is 0.9649526393888274
three shortest/longest (<10)/ bonds are [0.88291774 0.8831108 0.88800588] [1.08134449 1.09470293 1.11107476]
95 percentile of distance to center is: 9.09269842114759
density of closest 95% monomers is: 0.409087608308865
density of the core monomers is: 0.7031807838993169
min/median/mean/max coordinates are:
x: -23.77, -15.90, -15.92, -7.53
y: -16.19, -7.05, -6.77, 5.39
z: -16.13, -7.66, -7.56, 3.38
Statistics for velocities:
mean kinetic energy is: 1.5103738349814635 should be: 1.5
fastest particles are (in kT): [8.15970097 8.23239343 8.35701708 9.12672473 9.57124633]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.218244434457965
bl=3450 pos[1]=[-20.3 -4.6 -3.7] dr=1.32 t=36500.0ps kin=1.54 pot=20.23 Rg=6.471 SPS=1190
bl=3451 pos[1]=[-21.5 -4.5 -3.2] dr=1.33 t=36510.0ps kin=1.49 pot=20.27 Rg=6.453 SPS=1300
bl=3452 pos[1]=[-21.1 -4.3 -3.2] dr=1.32 t=36520.0ps kin=1.41 pot=20.21 Rg=6.478 SPS=1214
bl=3453 pos[1]=[-20.9 -3.5 -3.6] dr=1.30 t=36530.0ps kin=1.51 pot=20.19 Rg=6.472 SPS=1274
bl=3454 pos[1]=[-20.3 -5.5 -2.4] dr=1.24 t=36540.0ps kin=1.49 pot=20.18 Rg=6.465 SPS=1280
bl=3455 pos[1]=[-20.6 -4.5 -2.3] dr=1.33 t=36550.0ps kin=1.51 pot=20.19 Rg=6.487 SPS=1319
bl=3456 pos[1]=[-19.5 -7.1 -1.4] dr=1.29 t=36560.0ps kin=1.52 pot=20.18 Rg=6.446 SPS=1303
bl=3457 pos[1]=[-20.0 -5.9 -2.3] dr=1.32 t=36570.0ps kin=1.51 pot=20.17 Rg=6.454 SPS=806
bl=3458 pos[1]=[-21.4 -6.4 -2.1] dr=1.35 t=36580.0ps kin=1.52 pot=20.24 Rg=6.460 SPS=853
bl=3459 pos[1]=[-20.2 -5.8 -2.9] dr=1.41 t=36590.0ps kin=1.53 pot=20.23 Rg=6.472 SPS=851
bl=3460 pos[1]=[-19.1 -4.0 -4.3] dr=1.37 t=36600.0ps kin=1.52 pot=20.22 Rg=6.475 SPS=1027
bl=3461 pos[1]=[-22.0 -5.5 -5.5] dr=1.34 t=36610.0ps kin=1.55 pot=20.23 Rg=6.497 SPS=685
bl=3462 pos[1]=[-21.9 -7.3 -4.2] dr=1.39 t=36620.0ps kin=1.51 pot=20.20 Rg=6.433 SPS=741
bl=3463 pos[1]=[-19.9 -8.3 -5.9] dr=1.29 t=36630.0ps kin=1.48 pot=20.22 Rg=6.418 SPS=818
bl=3464 pos[1]=[-20.4 -8.1 -5.1] dr=1.34 t=36640.0ps kin=1.45 pot=20.25 Rg=6.477 SPS=987
bl=3465 pos[1]=[-20.3 -8.9 -5.0] dr=1.33 t=36650.0ps kin=1.46 pot=20.22 Rg=6.457 SPS=752
bl=3466 pos[1]=[-21.1 -8.5 -4.8] dr=1.32 t=36660.0ps kin=1.51 pot=20.23 Rg=6.482 SPS=997
bl=3467 pos[1]=[-21.8 -10.5 -6.1] dr=1.36 t=36670.0ps kin=1.47 pot=20.23 Rg=6.451 SPS=1094
bl=3468 pos[1]=[-21.1 -10.5 -5.1] dr=1.29 t=36680.0ps kin=1.47 pot=20.21 Rg=6.477 SPS=1017
bl=3469 pos[1]=[-21.9 -9.4 -6.2] dr=1.31 t=36690.0ps kin=1.51 pot=20.23 Rg=6.476 SPS=684
bl=3470 pos[1]=[-21.2 -7.9 -5.4] dr=1.36 t=36700.0ps kin=1.45 pot=20.29 Rg=6.581 SPS=869
bl=3471 pos[1]=[-20.2 -4.5 -5.6] dr=1.35 t=36710.0ps kin=1.55 pot=20.25 Rg=6.579 SPS=1185
bl=3472 pos[1]=[-20.0 -6.8 -5.4] dr=1.40 t=36720.0ps kin=1.54 pot=20.28 Rg=6.550 SPS=1159
bl=3473 pos[1]=[-18.9 -6.6 -4.7] dr=1.36 t=36730.0ps kin=1.47 pot=20.26 Rg=6.506 SPS=1124
bl=3474 pos[1]=[-18.9 -6.9 -4.8] dr=1.30 t=36740.0ps kin=1.46 pot=20.23 Rg=6.564 SPS=786
bl=3475 pos[1]=[-19.5 -5.6 -6.0] dr=1.38 t=36750.0ps kin=1.54 pot=20.22 Rg=6.510 SPS=1151
bl=3476 pos[1]=[-19.6 -5.5 -5.5] dr=1.32 t=36760.0ps kin=1.52 pot=20.21 Rg=6.516 SPS=689
bl=3477 pos[1]=[-19.4 -3.4 -4.0] dr=1.25 t=36770.0ps kin=1.46 pot=20.29 Rg=6.549 SPS=1037
bl=3478 pos[1]=[-19.2 -4.3 -2.9] dr=1.38 t=36780.0ps kin=1.46 pot=20.30 Rg=6.652 SPS=1106
bl=3479 pos[1]=[-19.5 -3.3 -3.5] dr=1.39 t=36790.0ps kin=1.56 pot=20.25 Rg=6.580 SPS=1140
bl=3480 pos[1]=[-18.3 -4.9 -4.4] dr=1.33 t=36800.0ps kin=1.49 pot=20.27 Rg=6.507 SPS=1167
bl=3481 pos[1]=[-20.7 -5.8 -5.1] dr=1.37 t=36810.0ps kin=1.53 pot=20.21 Rg=6.384 SPS=937
bl=3482 pos[1]=[-21.7 -5.8 -4.3] dr=1.34 t=36820.0ps kin=1.52 pot=20.21 Rg=6.459 SPS=1226
bl=3483 pos[1]=[-19.8 -7.0 -4.3] dr=1.29 t=36830.0ps kin=1.49 pot=20.22 Rg=6.489 SPS=1143
bl=3484 pos[1]=[-20.4 -6.9 -3.0] dr=1.35 t=36840.0ps kin=1.52 pot=20.19 Rg=6.501 SPS=1241
bl=3485 pos[1]=[-20.1 -6.9 -3.5] dr=1.36 t=36850.0ps kin=1.54 pot=20.21 Rg=6.512 SPS=788
bl=3486 pos[1]=[-19.9 -6.0 -3.4] dr=1.36 t=36860.0ps kin=1.52 pot=20.21 Rg=6.450 SPS=800
bl=3487 pos[1]=[-20.6 -7.2 -3.4] dr=1.33 t=36870.0ps kin=1.54 pot=20.23 Rg=6.506 SPS=1124
bl=3488 pos[1]=[-22.5 -6.5 -2.2] dr=1.33 t=36880.0ps kin=1.50 pot=20.21 Rg=6.421 SPS=1157
bl=3489 pos[1]=[-21.8 -5.0 -0.3] dr=1.37 t=36890.0ps kin=1.47 pot=20.22 Rg=6.522 SPS=1167
bl=3490 pos[1]=[-23.1 -5.7 -2.3] dr=1.31 t=36900.0ps kin=1.50 pot=20.19 Rg=6.554 SPS=1168
bl=3491 pos[1]=[-22.4 -6.0 -2.5] dr=1.34 t=36910.0ps kin=1.52 pot=20.27 Rg=6.576 SPS=1093
bl=3492 pos[1]=[-21.5 -4.2 -2.8] dr=1.33 t=36920.0ps kin=1.47 pot=20.30 Rg=6.537 SPS=1157
bl=3493 pos[1]=[-21.9 -4.6 -1.4] dr=1.37 t=36930.0ps kin=1.52 pot=20.27 Rg=6.513 SPS=1304
bl=3494 pos[1]=[-20.2 -6.0 -3.8] dr=1.35 t=36940.0ps kin=1.52 pot=20.17 Rg=6.425 SPS=889
bl=3495 pos[1]=[-19.9 -4.3 -4.6] dr=1.32 t=36950.0ps kin=1.51 pot=20.17 Rg=6.478 SPS=1031
bl=3496 pos[1]=[-19.2 -6.2 -2.3] dr=1.28 t=36960.0ps kin=1.48 pot=20.20 Rg=6.464 SPS=1192
bl=3497 pos[1]=[-18.8 -5.7 -2.1] dr=1.33 t=36970.0ps kin=1.52 pot=20.26 Rg=6.464 SPS=1299
bl=3498 pos[1]=[-19.3 -4.5 -2.1] dr=1.29 t=36980.0ps kin=1.48 pot=20.20 Rg=6.393 SPS=1301
bl=3499 pos[1]=[-18.0 -5.7 -1.9] dr=1.37 t=36990.0ps kin=1.48 pot=20.24 Rg=6.462 SPS=1288
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.50112919 -6.72164644 -7.21286827] Rg = 6.4620557
median bond size is 0.9660826940114046
three shortest/longest (<10)/ bonds are [0.86812274 0.88240163 0.88528995] [1.0893356 1.09107035 1.10226647]
95 percentile of distance to center is: 9.197198745271715
density of closest 95% monomers is: 0.39530105310001107
density of the core monomers is: 0.7350823317098921
min/median/mean/max coordinates are:
x: -23.54, -15.45, -15.50, -5.30
y: -15.24, -6.79, -6.72, 3.05
z: -16.61, -7.29, -7.21, 2.61
Statistics for velocities:
mean kinetic energy is: 1.4837146801130014 should be: 1.5
fastest particles are (in kT): [ 6.45240748 6.72221249 6.77020233 7.47905841 10.25315594]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.242052106379056
bl=3500 pos[1]=[-19.0 -5.2 -1.3] dr=1.36 t=37000.0ps kin=1.46 pot=20.15 Rg=6.419 SPS=1278
bl=3501 pos[1]=[-18.7 -4.6 -1.8] dr=1.32 t=37010.0ps kin=1.47 pot=20.23 Rg=6.490 SPS=1302
bl=3502 pos[1]=[-17.0 -3.6 -2.0] dr=1.37 t=37020.0ps kin=1.51 pot=20.22 Rg=6.443 SPS=1278
bl=3503 pos[1]=[-17.7 -3.5 -2.8] dr=1.39 t=37030.0ps kin=1.52 pot=20.15 Rg=6.398 SPS=1291
bl=3504 pos[1]=[-18.6 -0.9 -2.2] dr=1.29 t=37040.0ps kin=1.49 pot=20.17 Rg=6.449 SPS=978
bl=3505 pos[1]=[-18.3 -2.3 -3.1] dr=1.32 t=37050.0ps kin=1.48 pot=20.19 Rg=6.454 SPS=690
bl=3506 pos[1]=[-19.6 -3.0 -4.0] dr=1.27 t=37060.0ps kin=1.43 pot=20.18 Rg=6.443 SPS=1018
bl=3507 pos[1]=[-20.2 -4.4 -5.1] dr=1.32 t=37070.0ps kin=1.45 pot=20.19 Rg=6.351 SPS=835
bl=3508 pos[1]=[-20.6 -4.8 -6.6] dr=1.30 t=37080.0ps kin=1.50 pot=20.18 Rg=6.443 SPS=951
bl=3509 pos[1]=[-20.3 -4.1 -7.7] dr=1.33 t=37090.0ps kin=1.43 pot=20.18 Rg=6.535 SPS=691
bl=3510 pos[1]=[-19.0 -3.9 -6.9] dr=1.30 t=37100.0ps kin=1.54 pot=20.14 Rg=6.535 SPS=708
bl=3511 pos[1]=[-19.7 -3.6 -7.2] dr=1.32 t=37110.0ps kin=1.49 pot=20.21 Rg=6.497 SPS=982
bl=3512 pos[1]=[-20.1 -3.1 -6.6] dr=1.31 t=37120.0ps kin=1.50 pot=20.25 Rg=6.595 SPS=1176
bl=3513 pos[1]=[-21.5 -2.7 -6.6] dr=1.33 t=37130.0ps kin=1.46 pot=20.25 Rg=6.608 SPS=1235
bl=3514 pos[1]=[-21.3 -1.4 -5.9] dr=1.39 t=37140.0ps kin=1.57 pot=20.23 Rg=6.636 SPS=1230
bl=3515 pos[1]=[-23.4 -2.0 -5.1] dr=1.44 t=37150.0ps kin=1.48 pot=20.25 Rg=6.641 SPS=1066
bl=3516 pos[1]=[-24.5 -0.7 -8.0] dr=1.39 t=37160.0ps kin=1.57 pot=20.20 Rg=6.586 SPS=1192
bl=3517 pos[1]=[-22.7 -1.8 -8.1] dr=1.32 t=37170.0ps kin=1.51 pot=20.28 Rg=6.644 SPS=1263
bl=3518 pos[1]=[-23.6 -2.2 -9.7] dr=1.34 t=37180.0ps kin=1.53 pot=20.26 Rg=6.630 SPS=1258
bl=3519 pos[1]=[-22.9 -2.0 -7.7] dr=1.32 t=37190.0ps kin=1.54 pot=20.32 Rg=6.665 SPS=1263
bl=3520 pos[1]=[-21.2 -0.6 -6.8] dr=1.33 t=37200.0ps kin=1.53 pot=20.35 Rg=6.616 SPS=1235
bl=3521 pos[1]=[-21.2 -1.4 -6.0] dr=1.44 t=37210.0ps kin=1.56 pot=20.33 Rg=6.662 SPS=1258
bl=3522 pos[1]=[-22.3 -1.6 -5.2] dr=1.34 t=37220.0ps kin=1.53 pot=20.24 Rg=6.611 SPS=1235
bl=3523 pos[1]=[-22.9 -0.1 -7.0] dr=1.33 t=37230.0ps kin=1.53 pot=20.25 Rg=6.585 SPS=1279
bl=3524 pos[1]=[-22.8 -1.7 -7.9] dr=1.39 t=37240.0ps kin=1.55 pot=20.24 Rg=6.486 SPS=1249
bl=3525 pos[1]=[-21.8 -1.6 -6.1] dr=1.42 t=37250.0ps kin=1.50 pot=20.27 Rg=6.518 SPS=1212
bl=3526 pos[1]=[-21.9 -0.5 -4.1] dr=1.36 t=37260.0ps kin=1.51 pot=20.25 Rg=6.547 SPS=1241
bl=3527 pos[1]=[-22.7 0.1 -4.6] dr=1.31 t=37270.0ps kin=1.50 pot=20.21 Rg=6.548 SPS=1283
bl=3528 pos[1]=[-20.5 -0.8 -4.7] dr=1.35 t=37280.0ps kin=1.49 pot=20.23 Rg=6.504 SPS=1219
bl=3529 pos[1]=[-21.0 -0.7 -3.5] dr=1.29 t=37290.0ps kin=1.49 pot=20.19 Rg=6.496 SPS=1272
bl=3530 pos[1]=[-20.6 -1.6 -5.5] dr=1.31 t=37300.0ps kin=1.48 pot=20.24 Rg=6.443 SPS=1262
bl=3531 pos[1]=[-21.6 0.0 -5.0] dr=1.37 t=37310.0ps kin=1.52 pot=20.23 Rg=6.457 SPS=1231
bl=3532 pos[1]=[-21.9 -1.3 -4.5] dr=1.32 t=37320.0ps kin=1.52 pot=20.24 Rg=6.401 SPS=1181
bl=3533 pos[1]=[-23.0 -0.7 -5.5] dr=1.40 t=37330.0ps kin=1.54 pot=20.23 Rg=6.391 SPS=1251
bl=3534 pos[1]=[-23.7 -1.2 -3.5] dr=1.28 t=37340.0ps kin=1.47 pot=20.25 Rg=6.443 SPS=1251
bl=3535 pos[1]=[-24.0 -1.6 -2.1] dr=1.34 t=37350.0ps kin=1.45 pot=20.24 Rg=6.458 SPS=1282
bl=3536 pos[1]=[-24.1 -2.1 -0.6] dr=1.37 t=37360.0ps kin=1.51 pot=20.30 Rg=6.447 SPS=1277
bl=3537 pos[1]=[-24.4 -1.0 1.6] dr=1.37 t=37370.0ps kin=1.54 pot=20.22 Rg=6.531 SPS=1292
bl=3538 pos[1]=[-23.9 -0.6 1.2] dr=1.40 t=37380.0ps kin=1.55 pot=20.23 Rg=6.531 SPS=1207
bl=3539 pos[1]=[-20.8 -1.0 -0.7] dr=1.37 t=37390.0ps kin=1.47 pot=20.27 Rg=6.587 SPS=1279
bl=3540 pos[1]=[-19.9 0.8 -0.4] dr=1.36 t=37400.0ps kin=1.53 pot=20.24 Rg=6.519 SPS=1287
bl=3541 pos[1]=[-21.2 -0.7 -0.8] dr=1.38 t=37410.0ps kin=1.50 pot=20.30 Rg=6.431 SPS=1287
bl=3542 pos[1]=[-20.0 -1.3 -0.9] dr=1.34 t=37420.0ps kin=1.46 pot=20.30 Rg=6.472 SPS=1285
bl=3543 pos[1]=[-20.3 -1.6 -0.8] dr=1.39 t=37430.0ps kin=1.47 pot=20.27 Rg=6.635 SPS=1293
bl=3544 pos[1]=[-22.1 -2.7 0.2] dr=1.34 t=37440.0ps kin=1.49 pot=20.24 Rg=6.534 SPS=1282
bl=3545 pos[1]=[-20.6 -2.8 -0.2] dr=1.35 t=37450.0ps kin=1.47 pot=20.28 Rg=6.576 SPS=1291
bl=3546 pos[1]=[-22.7 -3.4 -1.2] dr=1.37 t=37460.0ps kin=1.49 pot=20.24 Rg=6.494 SPS=1288
bl=3547 pos[1]=[-22.2 -1.8 0.5] dr=1.31 t=37470.0ps kin=1.53 pot=20.23 Rg=6.474 SPS=1270
bl=3548 pos[1]=[-23.0 -2.6 -1.9] dr=1.31 t=37480.0ps kin=1.50 pot=20.23 Rg=6.501 SPS=1310
bl=3549 pos[1]=[-23.1 -1.2 -5.2] dr=1.39 t=37490.0ps kin=1.48 pot=20.28 Rg=6.462 SPS=1286
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.78750471 -5.74438188 -6.72922788] Rg = 6.4621964
median bond size is 0.9664773224706782
three shortest/longest (<10)/ bonds are [0.84529929 0.88007856 0.88105965] [1.08709941 1.08942736 1.09698536]
95 percentile of distance to center is: 8.967360968303682
density of closest 95% monomers is: 0.4264820228954648
density of the core monomers is: 0.7401692557023933
min/median/mean/max coordinates are:
x: -23.09, -15.00, -14.79, -5.75
y: -13.21, -5.72, -5.74, 2.38
z: -15.79, -6.64, -6.73, 2.02
Statistics for velocities:
mean kinetic energy is: 1.480638066647042 should be: 1.5
fastest particles are (in kT): [6.96501151 7.33019585 8.06899369 9.23428358 9.67107415]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.281572640117993
bl=3550 pos[1]=[-24.0 1.2 -3.8] dr=1.37 t=37500.0ps kin=1.49 pot=20.32 Rg=6.406 SPS=1292
bl=3551 pos[1]=[-22.1 -1.8 -3.7] dr=1.35 t=37510.0ps kin=1.50 pot=20.28 Rg=6.473 SPS=1296
bl=3552 pos[1]=[-23.3 -1.9 -6.7] dr=1.40 t=37520.0ps kin=1.52 pot=20.23 Rg=6.476 SPS=1276
bl=3553 pos[1]=[-22.8 -3.4 -7.4] dr=1.38 t=37530.0ps kin=1.45 pot=20.26 Rg=6.524 SPS=1304
bl=3554 pos[1]=[-22.1 -3.1 -7.8] dr=1.34 t=37540.0ps kin=1.51 pot=20.21 Rg=6.427 SPS=1298
bl=3555 pos[1]=[-23.8 -3.0 -8.3] dr=1.35 t=37550.0ps kin=1.48 pot=20.21 Rg=6.542 SPS=1282
bl=3556 pos[1]=[-22.7 -1.7 -7.9] dr=1.34 t=37560.0ps kin=1.47 pot=20.24 Rg=6.532 SPS=1256
bl=3557 pos[1]=[-23.1 -1.4 -8.6] dr=1.33 t=37570.0ps kin=1.51 pot=20.21 Rg=6.540 SPS=1290
bl=3558 pos[1]=[-23.2 -2.1 -8.9] dr=1.30 t=37580.0ps kin=1.52 pot=20.21 Rg=6.549 SPS=1279
bl=3559 pos[1]=[-24.0 -1.8 -10.2] dr=1.35 t=37590.0ps kin=1.47 pot=20.20 Rg=6.575 SPS=1290
bl=3560 pos[1]=[-23.9 -2.3 -12.2] dr=1.33 t=37600.0ps kin=1.49 pot=20.19 Rg=6.521 SPS=1303
bl=3561 pos[1]=[-20.0 -1.6 -12.5] dr=1.34 t=37610.0ps kin=1.47 pot=20.24 Rg=6.581 SPS=1309
bl=3562 pos[1]=[-19.7 -3.0 -11.2] dr=1.26 t=37620.0ps kin=1.49 pot=20.20 Rg=6.562 SPS=1267
bl=3563 pos[1]=[-19.6 -2.3 -13.0] dr=1.32 t=37630.0ps kin=1.52 pot=20.21 Rg=6.488 SPS=1279
bl=3564 pos[1]=[-20.0 -1.6 -11.7] dr=1.34 t=37640.0ps kin=1.47 pot=20.23 Rg=6.518 SPS=1281
bl=3565 pos[1]=[-19.9 -3.1 -13.2] dr=1.33 t=37650.0ps kin=1.45 pot=20.21 Rg=6.573 SPS=1300
bl=3566 pos[1]=[-21.2 -3.8 -13.2] dr=1.33 t=37660.0ps kin=1.52 pot=20.22 Rg=6.533 SPS=1283
bl=3567 pos[1]=[-20.1 -5.0 -13.2] dr=1.35 t=37670.0ps kin=1.50 pot=20.25 Rg=6.532 SPS=1285
bl=3568 pos[1]=[-20.0 -4.8 -11.5] dr=1.40 t=37680.0ps kin=1.51 pot=20.24 Rg=6.450 SPS=1276
bl=3569 pos[1]=[-19.9 -3.4 -11.5] dr=1.33 t=37690.0ps kin=1.49 pot=20.20 Rg=6.426 SPS=1310
bl=3570 pos[1]=[-18.9 -1.6 -11.6] dr=1.33 t=37700.0ps kin=1.47 pot=20.14 Rg=6.446 SPS=1317
bl=3571 pos[1]=[-17.9 -1.2 -11.7] dr=1.34 t=37710.0ps kin=1.49 pot=20.20 Rg=6.385 SPS=1278
bl=3572 pos[1]=[-18.9 -1.2 -12.4] dr=1.26 t=37720.0ps kin=1.49 pot=20.23 Rg=6.397 SPS=1281
bl=3573 pos[1]=[-20.0 -0.2 -12.5] dr=1.34 t=37730.0ps kin=1.52 pot=20.21 Rg=6.444 SPS=1294
bl=3574 pos[1]=[-19.7 0.3 -13.7] dr=1.32 t=37740.0ps kin=1.54 pot=20.25 Rg=6.518 SPS=1279
bl=3575 pos[1]=[-20.6 -0.0 -13.3] dr=1.30 t=37750.0ps kin=1.45 pot=20.22 Rg=6.491 SPS=1299
bl=3576 pos[1]=[-21.6 -1.6 -14.1] dr=1.33 t=37760.0ps kin=1.51 pot=20.24 Rg=6.416 SPS=1280
bl=3577 pos[1]=[-22.5 1.1 -14.4] dr=1.31 t=37770.0ps kin=1.47 pot=20.26 Rg=6.497 SPS=1263
bl=3578 pos[1]=[-25.1 -1.3 -12.5] dr=1.35 t=37780.0ps kin=1.51 pot=20.25 Rg=6.515 SPS=1264
bl=3579 pos[1]=[-25.3 -0.7 -10.5] dr=1.37 t=37790.0ps kin=1.51 pot=20.27 Rg=6.579 SPS=1157
bl=3580 pos[1]=[-25.3 -1.8 -9.6] dr=1.32 t=37800.0ps kin=1.53 pot=20.27 Rg=6.573 SPS=1255
bl=3581 pos[1]=[-23.9 -3.3 -10.2] dr=1.34 t=37810.0ps kin=1.55 pot=20.27 Rg=6.589 SPS=840
bl=3582 pos[1]=[-24.3 -1.8 -11.1] dr=1.32 t=37820.0ps kin=1.48 pot=20.22 Rg=6.646 SPS=1307
bl=3583 pos[1]=[-23.6 -1.6 -12.9] dr=1.37 t=37830.0ps kin=1.50 pot=20.22 Rg=6.577 SPS=1289
bl=3584 pos[1]=[-24.7 -2.0 -13.6] dr=1.36 t=37840.0ps kin=1.48 pot=20.24 Rg=6.490 SPS=1257
bl=3585 pos[1]=[-25.8 -2.6 -12.7] dr=1.32 t=37850.0ps kin=1.52 pot=20.20 Rg=6.561 SPS=1291
bl=3586 pos[1]=[-26.2 -2.5 -13.0] dr=1.37 t=37860.0ps kin=1.54 pot=20.21 Rg=6.511 SPS=1318
bl=3587 pos[1]=[-24.7 -4.2 -9.8] dr=1.35 t=37870.0ps kin=1.55 pot=20.26 Rg=6.483 SPS=1061
bl=3588 pos[1]=[-25.3 -1.9 -11.3] dr=1.34 t=37880.0ps kin=1.53 pot=20.24 Rg=6.474 SPS=626
bl=3589 pos[1]=[-22.7 -0.2 -10.1] dr=1.31 t=37890.0ps kin=1.53 pot=20.27 Rg=6.511 SPS=1080
bl=3590 pos[1]=[-22.0 -1.2 -10.4] dr=1.34 t=37900.0ps kin=1.53 pot=20.20 Rg=6.433 SPS=1265
bl=3591 pos[1]=[-25.2 -0.5 -7.7] dr=1.35 t=37910.0ps kin=1.49 pot=20.18 Rg=6.437 SPS=1252
bl=3592 pos[1]=[-24.6 -2.3 -6.4] dr=1.30 t=37920.0ps kin=1.38 pot=20.21 Rg=6.383 SPS=1222
bl=3593 pos[1]=[-24.6 -2.7 -4.3] dr=1.32 t=37930.0ps kin=1.53 pot=20.20 Rg=6.487 SPS=1214
bl=3594 pos[1]=[-22.9 -3.7 -5.1] dr=1.40 t=37940.0ps kin=1.50 pot=20.23 Rg=6.373 SPS=1265
bl=3595 pos[1]=[-23.5 -2.9 -5.3] dr=1.31 t=37950.0ps kin=1.55 pot=20.23 Rg=6.415 SPS=750
bl=3596 pos[1]=[-22.8 -2.8 -5.8] dr=1.35 t=37960.0ps kin=1.41 pot=20.26 Rg=6.432 SPS=1055
bl=3597 pos[1]=[-21.8 -2.2 -6.8] dr=1.29 t=37970.0ps kin=1.48 pot=20.23 Rg=6.397 SPS=745
bl=3598 pos[1]=[-23.8 -0.9 -7.2] dr=1.33 t=37980.0ps kin=1.48 pot=20.21 Rg=6.435 SPS=927
bl=3599 pos[1]=[-23.1 -0.1 -7.1] dr=1.27 t=37990.0ps kin=1.50 pot=20.25 Rg=6.422 SPS=1192
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.75919047 -6.56684876 -7.2076046 ] Rg = 6.421943
median bond size is 0.9629188713968986
three shortest/longest (<10)/ bonds are [0.85824719 0.88270368 0.88699949] [1.07947229 1.08148898 1.1060852 ]
95 percentile of distance to center is: 8.952846202067935
density of closest 95% monomers is: 0.42855968449971277
density of the core monomers is: 0.7227411503464397
min/median/mean/max coordinates are:
x: -25.92, -16.67, -16.76, -7.79
y: -15.45, -6.33, -6.57, 0.54
z: -17.04, -7.13, -7.21, 2.02
Statistics for velocities:
mean kinetic energy is: 1.5007793867134502 should be: 1.5
fastest particles are (in kT): [6.64537124 6.69582945 7.06752249 7.58625274 8.08037394]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.245857531342182
bl=3600 pos[1]=[-24.1 -2.0 -9.3] dr=1.29 t=38000.0ps kin=1.52 pot=20.27 Rg=6.443 SPS=1266
bl=3601 pos[1]=[-23.7 -4.3 -9.3] dr=1.35 t=38010.0ps kin=1.53 pot=20.27 Rg=6.453 SPS=1283
bl=3602 pos[1]=[-23.1 -7.5 -8.6] dr=1.32 t=38020.0ps kin=1.46 pot=20.22 Rg=6.459 SPS=1262
bl=3603 pos[1]=[-23.2 -7.5 -10.4] dr=1.30 t=38030.0ps kin=1.46 pot=20.21 Rg=6.515 SPS=1269
bl=3604 pos[1]=[-24.5 -7.3 -10.0] dr=1.33 t=38040.0ps kin=1.54 pot=20.23 Rg=6.549 SPS=1290
bl=3605 pos[1]=[-23.6 -7.4 -7.7] dr=1.35 t=38050.0ps kin=1.48 pot=20.22 Rg=6.490 SPS=1258
bl=3606 pos[1]=[-23.4 -5.2 -7.7] dr=1.34 t=38060.0ps kin=1.48 pot=20.21 Rg=6.568 SPS=1221
bl=3607 pos[1]=[-23.3 -4.0 -7.4] dr=1.41 t=38070.0ps kin=1.51 pot=20.27 Rg=6.513 SPS=1219
bl=3608 pos[1]=[-23.0 -3.6 -6.0] dr=1.34 t=38080.0ps kin=1.53 pot=20.27 Rg=6.497 SPS=1258
bl=3609 pos[1]=[-23.8 -4.7 -5.3] dr=1.40 t=38090.0ps kin=1.51 pot=20.22 Rg=6.473 SPS=1259
bl=3610 pos[1]=[-22.5 -4.5 -5.6] dr=1.37 t=38100.0ps kin=1.45 pot=20.24 Rg=6.478 SPS=1247
bl=3611 pos[1]=[-23.6 -4.8 -5.6] dr=1.34 t=38110.0ps kin=1.50 pot=20.25 Rg=6.440 SPS=1213
bl=3612 pos[1]=[-23.5 -5.9 -4.3] dr=1.33 t=38120.0ps kin=1.53 pot=20.20 Rg=6.457 SPS=1234
bl=3613 pos[1]=[-23.7 -8.7 -4.7] dr=1.37 t=38130.0ps kin=1.55 pot=20.24 Rg=6.436 SPS=971
bl=3614 pos[1]=[-24.4 -8.2 -3.6] dr=1.36 t=38140.0ps kin=1.49 pot=20.24 Rg=6.440 SPS=1107
bl=3615 pos[1]=[-24.0 -9.0 -4.4] dr=1.29 t=38150.0ps kin=1.44 pot=20.26 Rg=6.459 SPS=911
bl=3616 pos[1]=[-23.6 -9.5 -3.8] dr=1.28 t=38160.0ps kin=1.49 pot=20.21 Rg=6.441 SPS=1037
bl=3617 pos[1]=[-27.7 -5.9 -3.5] dr=1.35 t=38170.0ps kin=1.51 pot=20.17 Rg=6.463 SPS=1326
bl=3618 pos[1]=[-26.0 -3.2 -3.2] dr=1.35 t=38180.0ps kin=1.48 pot=20.23 Rg=6.548 SPS=1317
bl=3619 pos[1]=[-25.2 -3.6 -2.1] dr=1.35 t=38190.0ps kin=1.50 pot=20.23 Rg=6.507 SPS=1301
bl=3620 pos[1]=[-26.1 -4.7 -1.9] dr=1.37 t=38200.0ps kin=1.51 pot=20.20 Rg=6.396 SPS=1305
bl=3621 pos[1]=[-27.2 -4.7 -3.5] dr=1.29 t=38210.0ps kin=1.48 pot=20.21 Rg=6.470 SPS=1310
bl=3622 pos[1]=[-24.0 -6.1 -4.7] dr=1.37 t=38220.0ps kin=1.51 pot=20.14 Rg=6.442 SPS=1293
bl=3623 pos[1]=[-25.5 -7.9 -5.3] dr=1.34 t=38230.0ps kin=1.49 pot=20.23 Rg=6.442 SPS=1313
bl=3624 pos[1]=[-26.6 -7.5 -5.2] dr=1.31 t=38240.0ps kin=1.47 pot=20.19 Rg=6.399 SPS=1302
bl=3625 pos[1]=[-27.4 -7.0 -5.3] dr=1.32 t=38250.0ps kin=1.51 pot=20.23 Rg=6.393 SPS=1319
bl=3626 pos[1]=[-25.4 -6.4 -4.8] dr=1.27 t=38260.0ps kin=1.50 pot=20.17 Rg=6.412 SPS=1320
bl=3627 pos[1]=[-26.4 -6.6 -3.5] dr=1.32 t=38270.0ps kin=1.49 pot=20.19 Rg=6.416 SPS=1351
bl=3628 pos[1]=[-24.6 -6.8 -3.3] dr=1.33 t=38280.0ps kin=1.48 pot=20.20 Rg=6.457 SPS=1317
bl=3629 pos[1]=[-25.8 -6.1 -2.1] dr=1.30 t=38290.0ps kin=1.50 pot=20.18 Rg=6.410 SPS=1323
bl=3630 pos[1]=[-24.7 -3.8 -5.3] dr=1.28 t=38300.0ps kin=1.51 pot=20.13 Rg=6.400 SPS=1327
bl=3631 pos[1]=[-25.2 -2.7 -4.2] dr=1.26 t=38310.0ps kin=1.54 pot=20.16 Rg=6.426 SPS=1328
bl=3632 pos[1]=[-28.2 -5.2 -5.0] dr=1.32 t=38320.0ps kin=1.53 pot=20.25 Rg=6.535 SPS=1343
bl=3633 pos[1]=[-27.9 -4.0 -5.5] dr=1.37 t=38330.0ps kin=1.55 pot=20.22 Rg=6.625 SPS=1056
bl=3634 pos[1]=[-25.7 -6.0 -5.0] dr=1.39 t=38340.0ps kin=1.55 pot=20.19 Rg=6.513 SPS=1321
bl=3635 pos[1]=[-24.0 -5.4 -4.1] dr=1.43 t=38350.0ps kin=1.44 pot=20.19 Rg=6.472 SPS=1332
bl=3636 pos[1]=[-24.1 -5.9 -1.0] dr=1.33 t=38360.0ps kin=1.48 pot=20.25 Rg=6.413 SPS=1329
bl=3637 pos[1]=[-23.3 -7.3 -0.5] dr=1.29 t=38370.0ps kin=1.54 pot=20.28 Rg=6.436 SPS=1161
bl=3638 pos[1]=[-23.2 -7.1 -0.6] dr=1.33 t=38380.0ps kin=1.59 pot=20.20 Rg=6.441 SPS=1336
bl=3639 pos[1]=[-22.8 -3.7 0.9] dr=1.36 t=38390.0ps kin=1.53 pot=20.22 Rg=6.439 SPS=1325
bl=3640 pos[1]=[-25.7 -3.0 0.7] dr=1.34 t=38400.0ps kin=1.52 pot=20.21 Rg=6.468 SPS=1333
bl=3641 pos[1]=[-25.1 -4.4 0.2] dr=1.37 t=38410.0ps kin=1.50 pot=20.23 Rg=6.416 SPS=1328
bl=3642 pos[1]=[-23.1 -4.9 -2.1] dr=1.34 t=38420.0ps kin=1.53 pot=20.26 Rg=6.385 SPS=1323
bl=3643 pos[1]=[-21.6 -4.7 -3.8] dr=1.36 t=38430.0ps kin=1.52 pot=20.21 Rg=6.452 SPS=1236
bl=3644 pos[1]=[-24.0 -5.6 -4.5] dr=1.32 t=38440.0ps kin=1.46 pot=20.17 Rg=6.448 SPS=1316
bl=3645 pos[1]=[-23.8 -4.7 -5.6] dr=1.37 t=38450.0ps kin=1.53 pot=20.20 Rg=6.451 SPS=1324
bl=3646 pos[1]=[-23.3 -7.6 -3.5] dr=1.32 t=38460.0ps kin=1.45 pot=20.19 Rg=6.482 SPS=1315
bl=3647 pos[1]=[-22.1 -6.2 -4.3] dr=1.30 t=38470.0ps kin=1.48 pot=20.16 Rg=6.440 SPS=1320
bl=3648 pos[1]=[-21.0 -6.3 -5.6] dr=1.31 t=38480.0ps kin=1.55 pot=20.22 Rg=6.370 SPS=1349
bl=3649 pos[1]=[-23.5 -5.1 -4.0] dr=1.35 t=38490.0ps kin=1.49 pot=20.17 Rg=6.417 SPS=1336
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.94746147 -7.47784232 -7.55889533] Rg = 6.417234
median bond size is 0.9656756571070636
three shortest/longest (<10)/ bonds are [0.87785915 0.88340045 0.88853025] [1.07167126 1.0800307 1.08350088]
95 percentile of distance to center is: 8.934090560064533
density of closest 95% monomers is: 0.4312644247429587
density of the core monomers is: 0.7148796182351608
min/median/mean/max coordinates are:
x: -26.12, -16.84, -16.95, -8.92
y: -16.32, -7.29, -7.48, -0.21
z: -18.53, -7.69, -7.56, 1.92
Statistics for velocities:
mean kinetic energy is: 1.495064929408035 should be: 1.5
fastest particles are (in kT): [6.95605357 7.38939483 8.16234596 8.8190624 8.96698439]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.16781607208702
bl=3650 pos[1]=[-22.3 -4.6 -4.4] dr=1.32 t=38500.0ps kin=1.53 pot=20.19 Rg=6.395 SPS=1269
bl=3651 pos[1]=[-21.9 -5.4 -5.2] dr=1.33 t=38510.0ps kin=1.48 pot=20.23 Rg=6.484 SPS=1324
bl=3652 pos[1]=[-22.5 -6.4 -5.2] dr=1.32 t=38520.0ps kin=1.51 pot=20.19 Rg=6.425 SPS=1315
bl=3653 pos[1]=[-24.0 -6.8 -6.7] dr=1.28 t=38530.0ps kin=1.52 pot=20.23 Rg=6.405 SPS=1306
bl=3654 pos[1]=[-24.3 -5.6 -5.9] dr=1.30 t=38540.0ps kin=1.52 pot=20.16 Rg=6.406 SPS=1296
bl=3655 pos[1]=[-22.6 -5.3 -6.1] dr=1.28 t=38550.0ps kin=1.51 pot=20.24 Rg=6.416 SPS=1301
bl=3656 pos[1]=[-22.0 -4.3 -3.1] dr=1.37 t=38560.0ps kin=1.50 pot=20.23 Rg=6.446 SPS=1309
bl=3657 pos[1]=[-21.5 -5.7 -3.9] dr=1.35 t=38570.0ps kin=1.52 pot=20.18 Rg=6.410 SPS=1319
bl=3658 pos[1]=[-22.1 -6.9 -4.4] dr=1.31 t=38580.0ps kin=1.48 pot=20.20 Rg=6.402 SPS=1339
bl=3659 pos[1]=[-21.0 -6.4 -4.7] dr=1.34 t=38590.0ps kin=1.48 pot=20.19 Rg=6.370 SPS=1297
bl=3660 pos[1]=[-21.9 -7.0 -3.0] dr=1.30 t=38600.0ps kin=1.51 pot=20.15 Rg=6.447 SPS=1339
bl=3661 pos[1]=[-22.4 -6.7 -3.4] dr=1.32 t=38610.0ps kin=1.47 pot=20.17 Rg=6.398 SPS=1313
bl=3662 pos[1]=[-23.8 -5.6 -3.4] dr=1.31 t=38620.0ps kin=1.48 pot=20.23 Rg=6.437 SPS=1323
bl=3663 pos[1]=[-23.2 -7.5 -3.6] dr=1.33 t=38630.0ps kin=1.45 pot=20.23 Rg=6.519 SPS=1318
bl=3664 pos[1]=[-22.5 -7.9 -4.6] dr=1.35 t=38640.0ps kin=1.53 pot=20.18 Rg=6.457 SPS=1308
bl=3665 pos[1]=[-23.6 -8.3 -4.5] dr=1.33 t=38650.0ps kin=1.47 pot=20.24 Rg=6.390 SPS=1308
bl=3666 pos[1]=[-22.8 -7.7 -4.4] dr=1.30 t=38660.0ps kin=1.48 pot=20.26 Rg=6.452 SPS=1310
bl=3667 pos[1]=[-23.8 -5.1 -4.0] dr=1.33 t=38670.0ps kin=1.47 pot=20.23 Rg=6.426 SPS=1319
bl=3668 pos[1]=[-22.5 -4.1 -5.0] dr=1.31 t=38680.0ps kin=1.48 pot=20.22 Rg=6.405 SPS=1323
bl=3669 pos[1]=[-21.7 -3.8 -4.8] dr=1.35 t=38690.0ps kin=1.49 pot=20.21 Rg=6.360 SPS=1244
bl=3670 pos[1]=[-22.9 -5.6 -2.0] dr=1.36 t=38700.0ps kin=1.57 pot=20.21 Rg=6.429 SPS=1308
bl=3671 pos[1]=[-21.6 -4.6 -1.8] dr=1.32 t=38710.0ps kin=1.45 pot=20.25 Rg=6.435 SPS=1330
bl=3672 pos[1]=[-20.2 -5.0 -1.5] dr=1.34 t=38720.0ps kin=1.51 pot=20.22 Rg=6.421 SPS=1322
bl=3673 pos[1]=[-20.4 -4.5 -1.2] dr=1.32 t=38730.0ps kin=1.44 pot=20.25 Rg=6.498 SPS=1318
bl=3674 pos[1]=[-19.3 -4.2 -3.2] dr=1.34 t=38740.0ps kin=1.49 pot=20.19 Rg=6.392 SPS=1350
bl=3675 pos[1]=[-20.1 -4.3 -3.5] dr=1.36 t=38750.0ps kin=1.48 pot=20.21 Rg=6.488 SPS=1315
bl=3676 pos[1]=[-19.1 -4.4 -3.4] dr=1.35 t=38760.0ps kin=1.49 pot=20.18 Rg=6.522 SPS=1351
bl=3677 pos[1]=[-18.1 -4.2 -3.2] dr=1.32 t=38770.0ps kin=1.43 pot=20.18 Rg=6.424 SPS=1347
bl=3678 pos[1]=[-17.6 -4.3 -4.1] dr=1.26 t=38780.0ps kin=1.48 pot=20.15 Rg=6.375 SPS=1326
bl=3679 pos[1]=[-18.9 -5.2 -2.2] dr=1.26 t=38790.0ps kin=1.50 pot=20.19 Rg=6.365 SPS=1311
bl=3680 pos[1]=[-19.2 -3.0 -2.0] dr=1.30 t=38800.0ps kin=1.51 pot=20.27 Rg=6.404 SPS=1324
bl=3681 pos[1]=[-18.1 -3.4 -2.1] dr=1.31 t=38810.0ps kin=1.55 pot=20.26 Rg=6.463 SPS=1340
bl=3682 pos[1]=[-21.6 -3.2 -3.0] dr=1.34 t=38820.0ps kin=1.53 pot=20.26 Rg=6.431 SPS=1361
bl=3683 pos[1]=[-19.2 -4.7 -2.2] dr=1.38 t=38830.0ps kin=1.49 pot=20.25 Rg=6.444 SPS=1325
bl=3684 pos[1]=[-17.7 -4.3 -4.3] dr=1.35 t=38840.0ps kin=1.54 pot=20.24 Rg=6.492 SPS=1334
bl=3685 pos[1]=[-20.1 -3.1 -2.6] dr=1.35 t=38850.0ps kin=1.51 pot=20.20 Rg=6.455 SPS=1345
bl=3686 pos[1]=[-18.7 -3.6 -3.2] dr=1.35 t=38860.0ps kin=1.49 pot=20.22 Rg=6.458 SPS=706
bl=3687 pos[1]=[-19.0 -2.1 -2.1] dr=1.30 t=38870.0ps kin=1.53 pot=20.18 Rg=6.460 SPS=858
bl=3688 pos[1]=[-18.7 -2.8 -3.0] dr=1.33 t=38880.0ps kin=1.52 pot=20.11 Rg=6.392 SPS=1163
bl=3689 pos[1]=[-18.5 -3.7 -2.6] dr=1.30 t=38890.0ps kin=1.50 pot=20.23 Rg=6.507 SPS=1312
bl=3690 pos[1]=[-18.8 -3.4 -2.8] dr=1.36 t=38900.0ps kin=1.48 pot=20.17 Rg=6.443 SPS=1333
bl=3691 pos[1]=[-20.9 -3.9 -2.1] dr=1.24 t=38910.0ps kin=1.41 pot=20.19 Rg=6.408 SPS=1295
bl=3692 pos[1]=[-22.5 -5.5 -1.7] dr=1.28 t=38920.0ps kin=1.50 pot=20.14 Rg=6.372 SPS=1308
bl=3693 pos[1]=[-20.8 -3.9 -2.6] dr=1.29 t=38930.0ps kin=1.52 pot=20.19 Rg=6.383 SPS=1330
bl=3694 pos[1]=[-19.9 -4.2 -2.7] dr=1.32 t=38940.0ps kin=1.47 pot=20.21 Rg=6.415 SPS=1316
bl=3695 pos[1]=[-21.0 -3.3 -3.6] dr=1.31 t=38950.0ps kin=1.46 pot=20.15 Rg=6.443 SPS=1343
bl=3696 pos[1]=[-23.1 -3.1 0.1] dr=1.30 t=38960.0ps kin=1.46 pot=20.25 Rg=6.461 SPS=1322
bl=3697 pos[1]=[-24.9 -4.8 -2.7] dr=1.28 t=38970.0ps kin=1.43 pot=20.19 Rg=6.472 SPS=1312
bl=3698 pos[1]=[-26.2 -5.8 -2.9] dr=1.27 t=38980.0ps kin=1.49 pot=20.21 Rg=6.528 SPS=1321
bl=3699 pos[1]=[-23.1 -4.0 -2.5] dr=1.31 t=38990.0ps kin=1.53 pot=20.25 Rg=6.498 SPS=1321
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.02742052 -7.73953917 -7.83066525] Rg = 6.49786
median bond size is 0.963134214116742
three shortest/longest (<10)/ bonds are [0.88091003 0.8829423 0.88489012] [1.09464465 1.09697584 1.10603281]
95 percentile of distance to center is: 9.339758015962415
density of closest 95% monomers is: 0.3774746688841509
density of the core monomers is: 0.7663232810305133
min/median/mean/max coordinates are:
x: -25.11, -15.96, -16.03, -5.84
y: -16.98, -7.77, -7.74, 0.56
z: -16.32, -8.03, -7.83, 3.01
Statistics for velocities:
mean kinetic energy is: 1.5305570228156198 should be: 1.5
fastest particles are (in kT): [6.95822445 6.97249935 7.27840516 7.88493467 8.15241018]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.245094141777287
bl=3700 pos[1]=[-21.1 -4.6 -0.6] dr=1.36 t=39000.0ps kin=1.49 pot=20.26 Rg=6.543 SPS=1316
bl=3701 pos[1]=[-19.8 -7.8 -0.1] dr=1.37 t=39010.0ps kin=1.45 pot=20.26 Rg=6.607 SPS=1315
bl=3702 pos[1]=[-19.1 -8.3 -0.9] dr=1.28 t=39020.0ps kin=1.50 pot=20.28 Rg=6.633 SPS=1336
bl=3703 pos[1]=[-20.7 -8.5 -0.1] dr=1.31 t=39030.0ps kin=1.53 pot=20.26 Rg=6.575 SPS=1321
bl=3704 pos[1]=[-20.7 -5.3 -0.7] dr=1.33 t=39040.0ps kin=1.52 pot=20.25 Rg=6.524 SPS=1338
bl=3705 pos[1]=[-22.0 -4.4 -0.2] dr=1.34 t=39050.0ps kin=1.45 pot=20.20 Rg=6.512 SPS=1320
bl=3706 pos[1]=[-20.6 -2.2 -4.0] dr=1.40 t=39060.0ps kin=1.53 pot=20.21 Rg=6.443 SPS=993
bl=3707 pos[1]=[-21.3 -3.5 -3.8] dr=1.27 t=39070.0ps kin=1.51 pot=20.22 Rg=6.488 SPS=985
bl=3708 pos[1]=[-20.3 -2.6 -1.6] dr=1.30 t=39080.0ps kin=1.48 pot=20.20 Rg=6.482 SPS=1183
bl=3709 pos[1]=[-19.8 -5.5 -1.2] dr=1.32 t=39090.0ps kin=1.51 pot=20.25 Rg=6.451 SPS=1317
bl=3710 pos[1]=[-22.3 -4.7 -1.4] dr=1.35 t=39100.0ps kin=1.50 pot=20.18 Rg=6.518 SPS=1310
bl=3711 pos[1]=[-20.8 -6.6 -1.1] dr=1.34 t=39110.0ps kin=1.48 pot=20.21 Rg=6.424 SPS=1299
bl=3712 pos[1]=[-22.0 -6.0 -1.2] dr=1.29 t=39120.0ps kin=1.46 pot=20.23 Rg=6.400 SPS=1277
bl=3713 pos[1]=[-18.9 -7.0 -1.1] dr=1.31 t=39130.0ps kin=1.51 pot=20.22 Rg=6.342 SPS=1306
bl=3714 pos[1]=[-19.7 -7.9 0.0] dr=1.31 t=39140.0ps kin=1.49 pot=20.18 Rg=6.473 SPS=1293
bl=3715 pos[1]=[-20.7 -8.0 -1.4] dr=1.25 t=39150.0ps kin=1.41 pot=20.24 Rg=6.515 SPS=1323
bl=3716 pos[1]=[-20.1 -5.6 -2.7] dr=1.29 t=39160.0ps kin=1.46 pot=20.20 Rg=6.533 SPS=1318
bl=3717 pos[1]=[-19.7 -5.8 -3.0] dr=1.30 t=39170.0ps kin=1.48 pot=20.23 Rg=6.495 SPS=1335
bl=3718 pos[1]=[-17.9 -5.1 -4.8] dr=1.36 t=39180.0ps kin=1.49 pot=20.17 Rg=6.399 SPS=1311
bl=3719 pos[1]=[-17.6 -3.8 -4.1] dr=1.33 t=39190.0ps kin=1.45 pot=20.22 Rg=6.452 SPS=1286
bl=3720 pos[1]=[-18.4 -3.0 -4.5] dr=1.30 t=39200.0ps kin=1.48 pot=20.18 Rg=6.498 SPS=1332
bl=3721 pos[1]=[-18.6 -3.8 -3.9] dr=1.31 t=39210.0ps kin=1.48 pot=20.17 Rg=6.485 SPS=1342
bl=3722 pos[1]=[-17.3 -5.6 -1.2] dr=1.34 t=39220.0ps kin=1.50 pot=20.14 Rg=6.453 SPS=1311
bl=3723 pos[1]=[-17.2 -6.4 -0.9] dr=1.34 t=39230.0ps kin=1.49 pot=20.20 Rg=6.473 SPS=1312
bl=3724 pos[1]=[-17.3 -5.9 -1.2] dr=1.31 t=39240.0ps kin=1.47 pot=20.19 Rg=6.440 SPS=1325
bl=3725 pos[1]=[-15.9 -6.4 -1.3] dr=1.36 t=39250.0ps kin=1.56 pot=20.28 Rg=6.476 SPS=1299
bl=3726 pos[1]=[-14.5 -6.2 -1.6] dr=1.35 t=39260.0ps kin=1.56 pot=20.21 Rg=6.557 SPS=1320
bl=3727 pos[1]=[-14.6 -6.4 -2.3] dr=1.28 t=39270.0ps kin=1.48 pot=20.26 Rg=6.539 SPS=1281
bl=3728 pos[1]=[-14.7 -6.6 -3.0] dr=1.30 t=39280.0ps kin=1.53 pot=20.20 Rg=6.502 SPS=1293
bl=3729 pos[1]=[-15.3 -6.9 -1.4] dr=1.32 t=39290.0ps kin=1.45 pot=20.22 Rg=6.415 SPS=1348
bl=3730 pos[1]=[-16.1 -7.2 -2.1] dr=1.37 t=39300.0ps kin=1.53 pot=20.20 Rg=6.480 SPS=1290
bl=3731 pos[1]=[-17.5 -7.3 -1.6] dr=1.36 t=39310.0ps kin=1.47 pot=20.32 Rg=6.507 SPS=1322
bl=3732 pos[1]=[-18.8 -9.7 -3.2] dr=1.37 t=39320.0ps kin=1.49 pot=20.19 Rg=6.472 SPS=1334
bl=3733 pos[1]=[-18.4 -9.7 -4.7] dr=1.35 t=39330.0ps kin=1.52 pot=20.18 Rg=6.524 SPS=1307
bl=3734 pos[1]=[-19.9 -9.8 -5.2] dr=1.33 t=39340.0ps kin=1.48 pot=20.19 Rg=6.539 SPS=1204
bl=3735 pos[1]=[-18.8 -9.5 -4.9] dr=1.30 t=39350.0ps kin=1.55 pot=20.20 Rg=6.470 SPS=1283
bl=3736 pos[1]=[-19.1 -11.0 -5.7] dr=1.30 t=39360.0ps kin=1.45 pot=20.22 Rg=6.541 SPS=1324
bl=3737 pos[1]=[-19.1 -8.6 -3.2] dr=1.33 t=39370.0ps kin=1.48 pot=20.23 Rg=6.507 SPS=1312
bl=3738 pos[1]=[-19.5 -8.9 -3.7] dr=1.31 t=39380.0ps kin=1.47 pot=20.20 Rg=6.580 SPS=1331
bl=3739 pos[1]=[-18.6 -9.8 -5.3] dr=1.24 t=39390.0ps kin=1.45 pot=20.22 Rg=6.500 SPS=1319
bl=3740 pos[1]=[-18.3 -9.9 -4.8] dr=1.28 t=39400.0ps kin=1.51 pot=20.23 Rg=6.451 SPS=1297
bl=3741 pos[1]=[-20.3 -11.4 -2.3] dr=1.32 t=39410.0ps kin=1.49 pot=20.26 Rg=6.444 SPS=1331
bl=3742 pos[1]=[-20.9 -12.0 -3.0] dr=1.33 t=39420.0ps kin=1.42 pot=20.21 Rg=6.407 SPS=1356
bl=3743 pos[1]=[-17.8 -13.1 -4.0] dr=1.33 t=39430.0ps kin=1.49 pot=20.20 Rg=6.387 SPS=1342
bl=3744 pos[1]=[-15.5 -14.0 -6.1] dr=1.31 t=39440.0ps kin=1.46 pot=20.23 Rg=6.452 SPS=1345
bl=3745 pos[1]=[-16.4 -13.8 -6.7] dr=1.27 t=39450.0ps kin=1.57 pot=20.17 Rg=6.442 SPS=1305
bl=3746 pos[1]=[-18.0 -14.4 -5.9] dr=1.30 t=39460.0ps kin=1.50 pot=20.23 Rg=6.469 SPS=1326
bl=3747 pos[1]=[-17.6 -14.8 -6.8] dr=1.37 t=39470.0ps kin=1.58 pot=20.25 Rg=6.453 SPS=1051
bl=3748 pos[1]=[-15.5 -15.2 -6.6] dr=1.25 t=39480.0ps kin=1.47 pot=20.24 Rg=6.457 SPS=1187
bl=3749 pos[1]=[-15.7 -13.4 -6.0] dr=1.35 t=39490.0ps kin=1.53 pot=20.24 Rg=6.479 SPS=1211
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.22374719 -8.52499133 -10.2099275 ] Rg = 6.4786625
median bond size is 0.9646858212668842
three shortest/longest (<10)/ bonds are [0.88105478 0.88406971 0.8850676 ] [1.10154841 1.12647406 1.13964683]
95 percentile of distance to center is: 9.160913745809415
density of closest 95% monomers is: 0.40001686628555727
density of the core monomers is: 0.7236949045310341
min/median/mean/max coordinates are:
x: -24.55, -15.17, -15.22, -5.50
y: -17.36, -8.37, -8.52, -0.38
z: -19.29, -10.19, -10.21, -0.94
Statistics for velocities:
mean kinetic energy is: 1.532726655238675 should be: 1.5
fastest particles are (in kT): [7.34581547 7.40900442 7.74975927 8.36874245 8.73569787]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.24379493915929
bl=3750 pos[1]=[-15.4 -14.3 -5.4] dr=1.32 t=39500.0ps kin=1.49 pot=20.21 Rg=6.395 SPS=1230
bl=3751 pos[1]=[-19.5 -14.8 -5.5] dr=1.33 t=39510.0ps kin=1.53 pot=20.19 Rg=6.467 SPS=1287
bl=3752 pos[1]=[-19.7 -15.4 -4.8] dr=1.33 t=39520.0ps kin=1.50 pot=20.25 Rg=6.501 SPS=1328
bl=3753 pos[1]=[-20.2 -16.7 -6.4] dr=1.33 t=39530.0ps kin=1.47 pot=20.23 Rg=6.434 SPS=1298
bl=3754 pos[1]=[-20.3 -15.4 -7.6] dr=1.32 t=39540.0ps kin=1.49 pot=20.27 Rg=6.533 SPS=1318
bl=3755 pos[1]=[-20.9 -13.2 -6.2] dr=1.37 t=39550.0ps kin=1.58 pot=20.26 Rg=6.459 SPS=1286
bl=3756 pos[1]=[-21.4 -13.0 -8.7] dr=1.34 t=39560.0ps kin=1.54 pot=20.24 Rg=6.455 SPS=1288
bl=3757 pos[1]=[-22.7 -13.9 -6.4] dr=1.29 t=39570.0ps kin=1.48 pot=20.22 Rg=6.433 SPS=1185
bl=3758 pos[1]=[-20.7 -15.1 -5.6] dr=1.30 t=39580.0ps kin=1.49 pot=20.25 Rg=6.527 SPS=1303
bl=3759 pos[1]=[-20.7 -13.0 -7.9] dr=1.28 t=39590.0ps kin=1.51 pot=20.21 Rg=6.499 SPS=1285
bl=3760 pos[1]=[-20.7 -14.4 -7.7] dr=1.34 t=39600.0ps kin=1.47 pot=20.21 Rg=6.421 SPS=1255
bl=3761 pos[1]=[-20.2 -14.8 -7.5] dr=1.39 t=39610.0ps kin=1.56 pot=20.22 Rg=6.474 SPS=1295
bl=3762 pos[1]=[-21.3 -14.5 -7.5] dr=1.27 t=39620.0ps kin=1.53 pot=20.24 Rg=6.555 SPS=1305
bl=3763 pos[1]=[-20.7 -14.3 -6.4] dr=1.35 t=39630.0ps kin=1.50 pot=20.21 Rg=6.491 SPS=1320
bl=3764 pos[1]=[-18.6 -13.3 -6.5] dr=1.30 t=39640.0ps kin=1.45 pot=20.22 Rg=6.501 SPS=1304
bl=3765 pos[1]=[-19.5 -13.7 -4.9] dr=1.36 t=39650.0ps kin=1.42 pot=20.27 Rg=6.468 SPS=1254
bl=3766 pos[1]=[-18.6 -13.1 -5.7] dr=1.34 t=39660.0ps kin=1.50 pot=20.18 Rg=6.481 SPS=1299
bl=3767 pos[1]=[-19.0 -15.7 -7.8] dr=1.35 t=39670.0ps kin=1.49 pot=20.18 Rg=6.486 SPS=1287
bl=3768 pos[1]=[-20.0 -15.3 -8.1] dr=1.30 t=39680.0ps kin=1.45 pot=20.20 Rg=6.458 SPS=1297
bl=3769 pos[1]=[-21.9 -16.8 -10.5] dr=1.33 t=39690.0ps kin=1.47 pot=20.16 Rg=6.535 SPS=1304
bl=3770 pos[1]=[-20.7 -18.1 -12.4] dr=1.27 t=39700.0ps kin=1.47 pot=20.23 Rg=6.575 SPS=1269
bl=3771 pos[1]=[-20.6 -17.4 -11.5] dr=1.26 t=39710.0ps kin=1.50 pot=20.26 Rg=6.562 SPS=1306
bl=3772 pos[1]=[-20.4 -17.1 -13.6] dr=1.33 t=39720.0ps kin=1.51 pot=20.26 Rg=6.626 SPS=1327
bl=3773 pos[1]=[-18.7 -16.3 -12.8] dr=1.38 t=39730.0ps kin=1.51 pot=20.23 Rg=6.687 SPS=1320
bl=3774 pos[1]=[-18.5 -17.1 -11.1] dr=1.35 t=39740.0ps kin=1.54 pot=20.25 Rg=6.623 SPS=1359
bl=3775 pos[1]=[-15.4 -17.1 -10.0] dr=1.35 t=39750.0ps kin=1.48 pot=20.23 Rg=6.605 SPS=1282
bl=3776 pos[1]=[-12.8 -17.3 -9.7] dr=1.38 t=39760.0ps kin=1.49 pot=20.24 Rg=6.577 SPS=1310
bl=3777 pos[1]=[-13.0 -17.1 -11.2] dr=1.32 t=39770.0ps kin=1.47 pot=20.22 Rg=6.607 SPS=1320
bl=3778 pos[1]=[-13.8 -15.7 -11.5] dr=1.30 t=39780.0ps kin=1.47 pot=20.23 Rg=6.577 SPS=1326
bl=3779 pos[1]=[-13.2 -15.6 -12.0] dr=1.34 t=39790.0ps kin=1.46 pot=20.29 Rg=6.551 SPS=1338
bl=3780 pos[1]=[-14.8 -15.2 -11.4] dr=1.34 t=39800.0ps kin=1.51 pot=20.26 Rg=6.612 SPS=1331
bl=3781 pos[1]=[-14.0 -15.1 -11.6] dr=1.28 t=39810.0ps kin=1.46 pot=20.21 Rg=6.584 SPS=1318
bl=3782 pos[1]=[-13.5 -15.5 -9.8] dr=1.28 t=39820.0ps kin=1.47 pot=20.22 Rg=6.526 SPS=1281
bl=3783 pos[1]=[-13.4 -16.7 -8.2] dr=1.37 t=39830.0ps kin=1.49 pot=20.26 Rg=6.599 SPS=1347
bl=3784 pos[1]=[-15.8 -17.5 -5.7] dr=1.37 t=39840.0ps kin=1.52 pot=20.29 Rg=6.593 SPS=1369
bl=3785 pos[1]=[-15.0 -18.6 -4.8] dr=1.36 t=39850.0ps kin=1.49 pot=20.25 Rg=6.540 SPS=1246
bl=3786 pos[1]=[-15.1 -16.5 -6.8] dr=1.31 t=39860.0ps kin=1.51 pot=20.22 Rg=6.549 SPS=1339
bl=3787 pos[1]=[-17.4 -18.6 -6.8] dr=1.32 t=39870.0ps kin=1.52 pot=20.23 Rg=6.544 SPS=1368
bl=3788 pos[1]=[-18.5 -16.5 -6.4] dr=1.32 t=39880.0ps kin=1.47 pot=20.26 Rg=6.561 SPS=1345
bl=3789 pos[1]=[-18.9 -15.7 -8.0] dr=1.29 t=39890.0ps kin=1.54 pot=20.27 Rg=6.505 SPS=1348
bl=3790 pos[1]=[-18.0 -14.1 -6.4] dr=1.31 t=39900.0ps kin=1.53 pot=20.25 Rg=6.518 SPS=1313
bl=3791 pos[1]=[-17.1 -13.3 -7.1] dr=1.37 t=39910.0ps kin=1.52 pot=20.24 Rg=6.531 SPS=1341
bl=3792 pos[1]=[-16.2 -13.5 -4.9] dr=1.30 t=39920.0ps kin=1.49 pot=20.21 Rg=6.481 SPS=1352
bl=3793 pos[1]=[-18.1 -16.8 -6.8] dr=1.35 t=39930.0ps kin=1.49 pot=20.18 Rg=6.476 SPS=1318
bl=3794 pos[1]=[-21.3 -12.3 -5.6] dr=1.36 t=39940.0ps kin=1.49 pot=20.27 Rg=6.524 SPS=1338
bl=3795 pos[1]=[-20.8 -10.9 -5.6] dr=1.32 t=39950.0ps kin=1.51 pot=20.17 Rg=6.528 SPS=1351
bl=3796 pos[1]=[-21.1 -9.9 -5.4] dr=1.32 t=39960.0ps kin=1.49 pot=20.22 Rg=6.528 SPS=1321
bl=3797 pos[1]=[-21.9 -12.8 -4.7] dr=1.27 t=39970.0ps kin=1.49 pot=20.21 Rg=6.544 SPS=1334
bl=3798 pos[1]=[-20.6 -14.3 -1.4] dr=1.33 t=39980.0ps kin=1.49 pot=20.24 Rg=6.575 SPS=1330
bl=3799 pos[1]=[-18.7 -12.1 -0.3] dr=1.39 t=39990.0ps kin=1.47 pot=20.26 Rg=6.531 SPS=1293
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.6369655 -9.3527289 -9.59122165] Rg = 6.530515
median bond size is 0.9658633836502061
three shortest/longest (<10)/ bonds are [0.87449457 0.88170602 0.88194484] [1.08195898 1.08663806 1.12372718]
95 percentile of distance to center is: 9.43107413432391
density of closest 95% monomers is: 0.36661582671136883
density of the core monomers is: 0.6936273612167496
min/median/mean/max coordinates are:
x: -24.71, -14.22, -14.64, -5.86
y: -16.06, -9.30, -9.35, -2.08
z: -17.35, -9.64, -9.59, -0.28
Statistics for velocities:
mean kinetic energy is: 1.477290469063617 should be: 1.5
fastest particles are (in kT): [7.08301124 7.39140244 7.70589407 8.13327264 9.01242757]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.258142341906343
bl=3800 pos[1]=[-18.2 -9.4 1.9] dr=1.37 t=40000.0ps kin=1.51 pot=20.16 Rg=6.545 SPS=1297
bl=3801 pos[1]=[-16.3 -9.1 -0.5] dr=1.39 t=40010.0ps kin=1.52 pot=20.17 Rg=6.557 SPS=1354
bl=3802 pos[1]=[-15.5 -12.3 -2.5] dr=1.30 t=40020.0ps kin=1.46 pot=20.17 Rg=6.602 SPS=1338
bl=3803 pos[1]=[-17.9 -13.2 -2.3] dr=1.31 t=40030.0ps kin=1.49 pot=20.18 Rg=6.494 SPS=1293
bl=3804 pos[1]=[-17.5 -12.1 -3.8] dr=1.30 t=40040.0ps kin=1.48 pot=20.20 Rg=6.489 SPS=1226
bl=3805 pos[1]=[-18.1 -11.3 -4.9] dr=1.31 t=40050.0ps kin=1.49 pot=20.19 Rg=6.526 SPS=1308
bl=3806 pos[1]=[-16.8 -12.3 -5.7] dr=1.35 t=40060.0ps kin=1.46 pot=20.21 Rg=6.604 SPS=1348
bl=3807 pos[1]=[-16.1 -13.0 -4.2] dr=1.36 t=40070.0ps kin=1.44 pot=20.19 Rg=6.590 SPS=1327
bl=3808 pos[1]=[-17.6 -13.0 -4.9] dr=1.34 t=40080.0ps kin=1.44 pot=20.14 Rg=6.639 SPS=1357
bl=3809 pos[1]=[-17.4 -14.2 -5.2] dr=1.40 t=40090.0ps kin=1.53 pot=20.16 Rg=6.529 SPS=1336
bl=3810 pos[1]=[-15.6 -13.4 -4.3] dr=1.40 t=40100.0ps kin=1.53 pot=20.29 Rg=6.496 SPS=1328
bl=3811 pos[1]=[-18.0 -13.4 -4.1] dr=1.39 t=40110.0ps kin=1.55 pot=20.24 Rg=6.589 SPS=1339
bl=3812 pos[1]=[-17.2 -15.1 -4.3] dr=1.35 t=40120.0ps kin=1.49 pot=20.27 Rg=6.561 SPS=1316
bl=3813 pos[1]=[-19.6 -14.3 -5.2] dr=1.34 t=40130.0ps kin=1.53 pot=20.27 Rg=6.587 SPS=1291
bl=3814 pos[1]=[-19.4 -15.4 -5.3] dr=1.35 t=40140.0ps kin=1.51 pot=20.25 Rg=6.507 SPS=1282
bl=3815 pos[1]=[-17.6 -16.0 -6.0] dr=1.32 t=40150.0ps kin=1.45 pot=20.24 Rg=6.510 SPS=1233
bl=3816 pos[1]=[-16.2 -16.4 -6.8] dr=1.30 t=40160.0ps kin=1.48 pot=20.14 Rg=6.516 SPS=1284
bl=3817 pos[1]=[-15.7 -16.0 -5.6] dr=1.27 t=40170.0ps kin=1.47 pot=20.25 Rg=6.452 SPS=1301
bl=3818 pos[1]=[-15.3 -16.1 -6.8] dr=1.31 t=40180.0ps kin=1.52 pot=20.20 Rg=6.576 SPS=1317
bl=3819 pos[1]=[-17.8 -16.1 -6.7] dr=1.35 t=40190.0ps kin=1.52 pot=20.21 Rg=6.491 SPS=1307
bl=3820 pos[1]=[-16.7 -16.7 -3.5] dr=1.30 t=40200.0ps kin=1.57 pot=20.20 Rg=6.493 SPS=1244
bl=3821 pos[1]=[-16.8 -16.4 -2.8] dr=1.35 t=40210.0ps kin=1.45 pot=20.26 Rg=6.540 SPS=1276
bl=3822 pos[1]=[-18.2 -13.8 -2.1] dr=1.38 t=40220.0ps kin=1.53 pot=20.26 Rg=6.608 SPS=1307
bl=3823 pos[1]=[-18.5 -9.7 -4.8] dr=1.30 t=40230.0ps kin=1.49 pot=20.29 Rg=6.470 SPS=1312
bl=3824 pos[1]=[-20.3 -9.8 -5.5] dr=1.28 t=40240.0ps kin=1.50 pot=20.19 Rg=6.432 SPS=1296
bl=3825 pos[1]=[-21.1 -12.2 -3.8] dr=1.29 t=40250.0ps kin=1.48 pot=20.22 Rg=6.462 SPS=1279
bl=3826 pos[1]=[-20.4 -13.0 -6.7] dr=1.30 t=40260.0ps kin=1.52 pot=20.16 Rg=6.409 SPS=1298
bl=3827 pos[1]=[-20.6 -13.6 -6.1] dr=1.28 t=40270.0ps kin=1.52 pot=20.20 Rg=6.479 SPS=1205
bl=3828 pos[1]=[-19.9 -13.9 -5.9] dr=1.27 t=40280.0ps kin=1.52 pot=20.21 Rg=6.478 SPS=1281
bl=3829 pos[1]=[-17.7 -14.6 -4.1] dr=1.39 t=40290.0ps kin=1.50 pot=20.28 Rg=6.440 SPS=1285
bl=3830 pos[1]=[-19.1 -15.6 -4.9] dr=1.36 t=40300.0ps kin=1.50 pot=20.21 Rg=6.436 SPS=1262
bl=3831 pos[1]=[-18.2 -15.8 -5.5] dr=1.26 t=40310.0ps kin=1.54 pot=20.21 Rg=6.442 SPS=1289
bl=3832 pos[1]=[-18.7 -14.6 -4.9] dr=1.34 t=40320.0ps kin=1.54 pot=20.25 Rg=6.459 SPS=1281
bl=3833 pos[1]=[-19.4 -12.7 -4.5] dr=1.28 t=40330.0ps kin=1.53 pot=20.26 Rg=6.502 SPS=1239
bl=3834 pos[1]=[-19.2 -12.0 -4.8] dr=1.31 t=40340.0ps kin=1.53 pot=20.22 Rg=6.477 SPS=1279
bl=3835 pos[1]=[-18.2 -11.8 -4.2] dr=1.30 t=40350.0ps kin=1.51 pot=20.21 Rg=6.521 SPS=1272
bl=3836 pos[1]=[-19.9 -13.6 -4.3] dr=1.32 t=40360.0ps kin=1.48 pot=20.21 Rg=6.555 SPS=1281
bl=3837 pos[1]=[-17.1 -14.6 -1.8] dr=1.31 t=40370.0ps kin=1.49 pot=20.20 Rg=6.545 SPS=1284
bl=3838 pos[1]=[-14.6 -13.6 -2.8] dr=1.27 t=40380.0ps kin=1.49 pot=20.20 Rg=6.474 SPS=1281
bl=3839 pos[1]=[-14.5 -13.0 -3.2] dr=1.27 t=40390.0ps kin=1.45 pot=20.21 Rg=6.424 SPS=1244
bl=3840 pos[1]=[-14.6 -12.2 -5.4] dr=1.26 t=40400.0ps kin=1.47 pot=20.20 Rg=6.392 SPS=1198
bl=3841 pos[1]=[-14.3 -12.6 -4.5] dr=1.24 t=40410.0ps kin=1.53 pot=20.18 Rg=6.401 SPS=1225
bl=3842 pos[1]=[-14.5 -11.4 -3.7] dr=1.25 t=40420.0ps kin=1.49 pot=20.23 Rg=6.439 SPS=1251
bl=3843 pos[1]=[-14.2 -10.9 -2.1] dr=1.29 t=40430.0ps kin=1.45 pot=20.19 Rg=6.456 SPS=1279
bl=3844 pos[1]=[-14.7 -10.8 -3.4] dr=1.30 t=40440.0ps kin=1.51 pot=20.20 Rg=6.473 SPS=1276
bl=3845 pos[1]=[-13.6 -9.7 -0.2] dr=1.33 t=40450.0ps kin=1.50 pot=20.16 Rg=6.491 SPS=1244
bl=3846 pos[1]=[-12.7 -9.9 -1.4] dr=1.26 t=40460.0ps kin=1.51 pot=20.16 Rg=6.400 SPS=1269
bl=3847 pos[1]=[-12.0 -11.2 -3.5] dr=1.28 t=40470.0ps kin=1.52 pot=20.17 Rg=6.459 SPS=1284
bl=3848 pos[1]=[-13.2 -11.3 -3.1] dr=1.33 t=40480.0ps kin=1.54 pot=20.17 Rg=6.398 SPS=1275
bl=3849 pos[1]=[-14.1 -12.7 -3.4] dr=1.35 t=40490.0ps kin=1.53 pot=20.19 Rg=6.456 SPS=1276
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.69161798 -9.13106953 -10.96003327] Rg = 6.4561977
median bond size is 0.9648885187460617
three shortest/longest (<10)/ bonds are [0.87739066 0.87993671 0.88089105] [1.08150883 1.08784625 1.09655746]
95 percentile of distance to center is: 9.21619029226571
density of closest 95% monomers is: 0.39286232776902613
density of the core monomers is: 0.6859698756646704
min/median/mean/max coordinates are:
x: -24.13, -14.71, -14.69, -3.56
y: -16.36, -9.22, -9.13, -1.49
z: -20.99, -11.06, -10.96, -1.49
Statistics for velocities:
mean kinetic energy is: 1.5357322308078276 should be: 1.5
fastest particles are (in kT): [7.28500924 7.38732861 7.46959401 7.9000888 9.11227079]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.18941279498525
bl=3850 pos[1]=[-14.8 -14.0 -3.1] dr=1.34 t=40500.0ps kin=1.51 pot=20.21 Rg=6.538 SPS=1277
bl=3851 pos[1]=[-14.4 -12.8 -2.1] dr=1.28 t=40510.0ps kin=1.51 pot=20.17 Rg=6.433 SPS=1314
bl=3852 pos[1]=[-14.1 -13.7 -2.6] dr=1.29 t=40520.0ps kin=1.54 pot=20.18 Rg=6.391 SPS=1287
bl=3853 pos[1]=[-14.2 -13.2 -4.6] dr=1.29 t=40530.0ps kin=1.47 pot=20.21 Rg=6.417 SPS=1259
bl=3854 pos[1]=[-14.0 -13.0 -4.0] dr=1.28 t=40540.0ps kin=1.41 pot=20.17 Rg=6.412 SPS=1301
bl=3855 pos[1]=[-14.9 -12.7 0.3] dr=1.32 t=40550.0ps kin=1.47 pot=20.15 Rg=6.359 SPS=1248
bl=3856 pos[1]=[-19.1 -13.3 -0.4] dr=1.32 t=40560.0ps kin=1.47 pot=20.20 Rg=6.472 SPS=1292
bl=3857 pos[1]=[-19.0 -13.0 -1.3] dr=1.31 t=40570.0ps kin=1.48 pot=20.17 Rg=6.516 SPS=1301
bl=3858 pos[1]=[-17.8 -13.4 -2.4] dr=1.32 t=40580.0ps kin=1.48 pot=20.18 Rg=6.535 SPS=1284
bl=3859 pos[1]=[-18.3 -13.3 -1.0] dr=1.30 t=40590.0ps kin=1.48 pot=20.19 Rg=6.477 SPS=1295
bl=3860 pos[1]=[-17.9 -12.8 -0.0] dr=1.25 t=40600.0ps kin=1.45 pot=20.24 Rg=6.457 SPS=1267
bl=3861 pos[1]=[-18.2 -13.2 -2.4] dr=1.37 t=40610.0ps kin=1.48 pot=20.22 Rg=6.525 SPS=1284
bl=3862 pos[1]=[-17.7 -15.7 -4.4] dr=1.32 t=40620.0ps kin=1.44 pot=20.25 Rg=6.420 SPS=1284
bl=3863 pos[1]=[-21.0 -14.6 -4.4] dr=1.33 t=40630.0ps kin=1.54 pot=20.21 Rg=6.500 SPS=1276
bl=3864 pos[1]=[-21.6 -13.9 -4.4] dr=1.37 t=40640.0ps kin=1.54 pot=20.19 Rg=6.502 SPS=1303
bl=3865 pos[1]=[-24.0 -11.8 -4.9] dr=1.37 t=40650.0ps kin=1.48 pot=20.20 Rg=6.501 SPS=1283
bl=3866 pos[1]=[-24.2 -13.1 -4.7] dr=1.30 t=40660.0ps kin=1.50 pot=20.23 Rg=6.448 SPS=1284
bl=3867 pos[1]=[-21.2 -11.0 -4.4] dr=1.32 t=40670.0ps kin=1.56 pot=20.23 Rg=6.428 SPS=1312
bl=3868 pos[1]=[-20.8 -11.1 -2.5] dr=1.35 t=40680.0ps kin=1.51 pot=20.28 Rg=6.485 SPS=1219
bl=3869 pos[1]=[-20.9 -9.1 -2.0] dr=1.31 t=40690.0ps kin=1.51 pot=20.26 Rg=6.511 SPS=1317
bl=3870 pos[1]=[-21.1 -7.3 0.6] dr=1.29 t=40700.0ps kin=1.50 pot=20.29 Rg=6.510 SPS=1253
bl=3871 pos[1]=[-20.9 -6.5 1.6] dr=1.32 t=40710.0ps kin=1.56 pot=20.22 Rg=6.466 SPS=1290
bl=3872 pos[1]=[-19.0 -7.5 1.2] dr=1.28 t=40720.0ps kin=1.54 pot=20.22 Rg=6.422 SPS=1291
bl=3873 pos[1]=[-19.4 -9.8 -0.3] dr=1.36 t=40730.0ps kin=1.53 pot=20.22 Rg=6.454 SPS=1272
bl=3874 pos[1]=[-16.6 -11.3 1.8] dr=1.34 t=40740.0ps kin=1.57 pot=20.23 Rg=6.494 SPS=1305
bl=3875 pos[1]=[-16.0 -11.8 -3.1] dr=1.33 t=40750.0ps kin=1.54 pot=20.25 Rg=6.451 SPS=1314
bl=3876 pos[1]=[-14.3 -12.4 -4.5] dr=1.35 t=40760.0ps kin=1.56 pot=20.24 Rg=6.463 SPS=1330
bl=3877 pos[1]=[-16.0 -13.3 -3.7] dr=1.38 t=40770.0ps kin=1.55 pot=20.19 Rg=6.379 SPS=1272
bl=3878 pos[1]=[-21.0 -13.5 -3.9] dr=1.36 t=40780.0ps kin=1.53 pot=20.18 Rg=6.375 SPS=1254
bl=3879 pos[1]=[-19.6 -11.9 -4.5] dr=1.29 t=40790.0ps kin=1.50 pot=20.17 Rg=6.368 SPS=1281
bl=3880 pos[1]=[-20.3 -10.2 -5.0] dr=1.34 t=40800.0ps kin=1.50 pot=20.25 Rg=6.407 SPS=1252
bl=3881 pos[1]=[-21.4 -10.7 -5.0] dr=1.33 t=40810.0ps kin=1.48 pot=20.22 Rg=6.419 SPS=1298
bl=3882 pos[1]=[-21.7 -11.3 -5.3] dr=1.31 t=40820.0ps kin=1.52 pot=20.22 Rg=6.413 SPS=1274
bl=3883 pos[1]=[-21.5 -13.9 -6.7] dr=1.38 t=40830.0ps kin=1.47 pot=20.31 Rg=6.492 SPS=1289
bl=3884 pos[1]=[-21.5 -11.1 -5.5] dr=1.30 t=40840.0ps kin=1.53 pot=20.23 Rg=6.501 SPS=1292
bl=3885 pos[1]=[-21.9 -12.0 -6.4] dr=1.32 t=40850.0ps kin=1.49 pot=20.27 Rg=6.500 SPS=1267
bl=3886 pos[1]=[-22.7 -12.0 -6.5] dr=1.33 t=40860.0ps kin=1.50 pot=20.28 Rg=6.458 SPS=1307
bl=3887 pos[1]=[-23.0 -10.6 -8.3] dr=1.32 t=40870.0ps kin=1.53 pot=20.25 Rg=6.425 SPS=1286
bl=3888 pos[1]=[-23.7 -11.9 -10.0] dr=1.29 t=40880.0ps kin=1.47 pot=20.25 Rg=6.444 SPS=1329
bl=3889 pos[1]=[-24.8 -9.7 -9.5] dr=1.32 t=40890.0ps kin=1.52 pot=20.23 Rg=6.458 SPS=1289
bl=3890 pos[1]=[-24.1 -11.5 -6.5] dr=1.31 t=40900.0ps kin=1.45 pot=20.24 Rg=6.426 SPS=1280
bl=3891 pos[1]=[-21.0 -12.3 -7.0] dr=1.31 t=40910.0ps kin=1.51 pot=20.26 Rg=6.482 SPS=969
bl=3892 pos[1]=[-18.8 -12.7 -7.2] dr=1.36 t=40920.0ps kin=1.53 pot=20.21 Rg=6.485 SPS=996
bl=3893 pos[1]=[-20.5 -13.8 -7.2] dr=1.31 t=40930.0ps kin=1.49 pot=20.23 Rg=6.414 SPS=546
bl=3894 pos[1]=[-19.9 -14.2 -6.2] dr=1.31 t=40940.0ps kin=1.49 pot=20.22 Rg=6.504 SPS=1200
bl=3895 pos[1]=[-18.7 -13.8 -7.7] dr=1.29 t=40950.0ps kin=1.50 pot=20.24 Rg=6.472 SPS=1230
bl=3896 pos[1]=[-18.0 -15.0 -5.7] dr=1.32 t=40960.0ps kin=1.42 pot=20.21 Rg=6.507 SPS=631
bl=3897 pos[1]=[-17.9 -13.1 -4.8] dr=1.39 t=40970.0ps kin=1.54 pot=20.20 Rg=6.429 SPS=1048
bl=3898 pos[1]=[-17.7 -13.7 -3.0] dr=1.32 t=40980.0ps kin=1.47 pot=20.25 Rg=6.464 SPS=1331
bl=3899 pos[1]=[-19.5 -12.6 -3.0] dr=1.36 t=40990.0ps kin=1.50 pot=20.27 Rg=6.538 SPS=1344
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.20099262 -9.1415871 -11.30644406] Rg = 6.5379553
median bond size is 0.9659011987703714
three shortest/longest (<10)/ bonds are [0.88682163 0.89061501 0.89214127] [1.08278985 1.08563895 1.09307593]
95 percentile of distance to center is: 9.140020383817635
density of closest 95% monomers is: 0.40276636237935437
density of the core monomers is: 0.6474320653171837
min/median/mean/max coordinates are:
x: -24.23, -15.21, -15.20, -4.84
y: -18.09, -9.12, -9.14, -1.20
z: -20.43, -11.35, -11.31, -1.13
Statistics for velocities:
mean kinetic energy is: 1.4986381801129678 should be: 1.5
fastest particles are (in kT): [7.27501016 7.41160638 7.57990913 8.30323577 9.89894189]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.268661273967552
bl=3900 pos[1]=[-21.1 -10.9 -5.1] dr=1.27 t=41000.0ps kin=1.53 pot=20.32 Rg=6.495 SPS=1210
bl=3901 pos[1]=[-23.4 -11.0 -5.1] dr=1.39 t=41010.0ps kin=1.51 pot=20.27 Rg=6.531 SPS=1308
bl=3902 pos[1]=[-24.2 -9.9 -4.9] dr=1.37 t=41020.0ps kin=1.48 pot=20.28 Rg=6.494 SPS=1339
bl=3903 pos[1]=[-23.4 -7.6 -3.9] dr=1.37 t=41030.0ps kin=1.52 pot=20.21 Rg=6.457 SPS=1304
bl=3904 pos[1]=[-24.2 -7.6 -5.6] dr=1.35 t=41040.0ps kin=1.45 pot=20.27 Rg=6.430 SPS=1281
bl=3905 pos[1]=[-24.6 -8.2 -4.7] dr=1.28 t=41050.0ps kin=1.53 pot=20.24 Rg=6.438 SPS=1259
bl=3906 pos[1]=[-23.6 -7.3 -4.2] dr=1.34 t=41060.0ps kin=1.49 pot=20.28 Rg=6.536 SPS=1300
bl=3907 pos[1]=[-23.2 -7.8 -5.2] dr=1.38 t=41070.0ps kin=1.55 pot=20.25 Rg=6.571 SPS=1326
bl=3908 pos[1]=[-23.8 -8.8 -5.4] dr=1.34 t=41080.0ps kin=1.51 pot=20.30 Rg=6.524 SPS=1323
bl=3909 pos[1]=[-22.2 -9.4 -6.3] dr=1.38 t=41090.0ps kin=1.52 pot=20.24 Rg=6.561 SPS=1017
bl=3910 pos[1]=[-21.3 -12.3 -6.8] dr=1.42 t=41100.0ps kin=1.56 pot=20.24 Rg=6.456 SPS=929
bl=3911 pos[1]=[-21.3 -11.4 -8.3] dr=1.33 t=41110.0ps kin=1.57 pot=20.26 Rg=6.445 SPS=867
bl=3912 pos[1]=[-22.0 -9.7 -7.1] dr=1.36 t=41120.0ps kin=1.53 pot=20.33 Rg=6.411 SPS=619
bl=3913 pos[1]=[-20.4 -9.8 -6.1] dr=1.32 t=41130.0ps kin=1.46 pot=20.27 Rg=6.473 SPS=1291
bl=3914 pos[1]=[-20.8 -8.4 -5.8] dr=1.36 t=41140.0ps kin=1.52 pot=20.28 Rg=6.470 SPS=1313
bl=3915 pos[1]=[-20.0 -9.6 -5.0] dr=1.33 t=41150.0ps kin=1.52 pot=20.30 Rg=6.460 SPS=1279
bl=3916 pos[1]=[-20.1 -8.7 -5.8] dr=1.34 t=41160.0ps kin=1.45 pot=20.26 Rg=6.449 SPS=1280
bl=3917 pos[1]=[-18.3 -7.7 -4.6] dr=1.31 t=41170.0ps kin=1.46 pot=20.26 Rg=6.426 SPS=1317
bl=3918 pos[1]=[-18.4 -9.0 -4.7] dr=1.31 t=41180.0ps kin=1.46 pot=20.23 Rg=6.409 SPS=1302
bl=3919 pos[1]=[-17.3 -10.3 -4.3] dr=1.36 t=41190.0ps kin=1.45 pot=20.26 Rg=6.463 SPS=1293
bl=3920 pos[1]=[-17.9 -10.6 -5.7] dr=1.34 t=41200.0ps kin=1.47 pot=20.22 Rg=6.387 SPS=1276
bl=3921 pos[1]=[-18.6 -10.9 -4.9] dr=1.35 t=41210.0ps kin=1.49 pot=20.20 Rg=6.396 SPS=1305
bl=3922 pos[1]=[-18.9 -9.9 -6.2] dr=1.34 t=41220.0ps kin=1.50 pot=20.20 Rg=6.345 SPS=1287
bl=3923 pos[1]=[-19.4 -10.8 -5.9] dr=1.33 t=41230.0ps kin=1.51 pot=20.19 Rg=6.372 SPS=1308
bl=3924 pos[1]=[-19.1 -12.0 -5.2] dr=1.31 t=41240.0ps kin=1.48 pot=20.24 Rg=6.385 SPS=668
bl=3925 pos[1]=[-20.3 -12.6 -5.1] dr=1.35 t=41250.0ps kin=1.49 pot=20.22 Rg=6.442 SPS=754
bl=3926 pos[1]=[-19.7 -11.5 -4.9] dr=1.33 t=41260.0ps kin=1.50 pot=20.19 Rg=6.435 SPS=1189
bl=3927 pos[1]=[-18.6 -11.2 -5.4] dr=1.40 t=41270.0ps kin=1.46 pot=20.21 Rg=6.428 SPS=1290
bl=3928 pos[1]=[-17.4 -10.2 -4.9] dr=1.31 t=41280.0ps kin=1.52 pot=20.23 Rg=6.331 SPS=1284
bl=3929 pos[1]=[-17.9 -11.2 -3.7] dr=1.36 t=41290.0ps kin=1.55 pot=20.23 Rg=6.362 SPS=1289
bl=3930 pos[1]=[-17.9 -12.1 -4.3] dr=1.36 t=41300.0ps kin=1.42 pot=20.24 Rg=6.402 SPS=1253
bl=3931 pos[1]=[-16.8 -13.3 -5.4] dr=1.37 t=41310.0ps kin=1.56 pot=20.18 Rg=6.434 SPS=1282
bl=3932 pos[1]=[-16.4 -12.5 -5.5] dr=1.37 t=41320.0ps kin=1.48 pot=20.25 Rg=6.474 SPS=1285
bl=3933 pos[1]=[-15.9 -12.7 -4.9] dr=1.40 t=41330.0ps kin=1.57 pot=20.21 Rg=6.489 SPS=1306
bl=3934 pos[1]=[-14.9 -12.9 -2.0] dr=1.44 t=41340.0ps kin=1.50 pot=20.28 Rg=6.495 SPS=1294
bl=3935 pos[1]=[-14.3 -13.2 -4.9] dr=1.37 t=41350.0ps kin=1.57 pot=20.21 Rg=6.443 SPS=1291
bl=3936 pos[1]=[-15.1 -8.8 -5.9] dr=1.39 t=41360.0ps kin=1.48 pot=20.23 Rg=6.477 SPS=1321
bl=3937 pos[1]=[-15.0 -8.6 -5.2] dr=1.36 t=41370.0ps kin=1.53 pot=20.18 Rg=6.349 SPS=1295
bl=3938 pos[1]=[-14.5 -9.5 -5.5] dr=1.36 t=41380.0ps kin=1.49 pot=20.20 Rg=6.400 SPS=1282
bl=3939 pos[1]=[-15.9 -9.0 -5.6] dr=1.34 t=41390.0ps kin=1.44 pot=20.23 Rg=6.411 SPS=1275
bl=3940 pos[1]=[-14.4 -9.4 -6.0] dr=1.32 t=41400.0ps kin=1.55 pot=20.10 Rg=6.311 SPS=1282
bl=3941 pos[1]=[-12.6 -11.4 -3.5] dr=1.33 t=41410.0ps kin=1.47 pot=20.21 Rg=6.337 SPS=1297
bl=3942 pos[1]=[-14.2 -9.7 -3.1] dr=1.33 t=41420.0ps kin=1.49 pot=20.25 Rg=6.338 SPS=1293
bl=3943 pos[1]=[-14.9 -9.7 -4.3] dr=1.28 t=41430.0ps kin=1.54 pot=20.22 Rg=6.344 SPS=1283
bl=3944 pos[1]=[-16.7 -10.0 -3.6] dr=1.36 t=41440.0ps kin=1.54 pot=20.13 Rg=6.290 SPS=1278
bl=3945 pos[1]=[-18.1 -10.6 -3.1] dr=1.30 t=41450.0ps kin=1.49 pot=20.25 Rg=6.370 SPS=1247
bl=3946 pos[1]=[-18.8 -12.7 -3.7] dr=1.26 t=41460.0ps kin=1.56 pot=20.20 Rg=6.374 SPS=1259
bl=3947 pos[1]=[-18.6 -13.0 -4.3] dr=1.34 t=41470.0ps kin=1.52 pot=20.26 Rg=6.394 SPS=1186
bl=3948 pos[1]=[-18.3 -12.5 -5.4] dr=1.37 t=41480.0ps kin=1.45 pot=20.27 Rg=6.421 SPS=1293
bl=3949 pos[1]=[-16.2 -14.9 -4.0] dr=1.30 t=41490.0ps kin=1.48 pot=20.24 Rg=6.375 SPS=1283
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.12747907 -9.50210846 -11.81283151] Rg = 6.3752084
median bond size is 0.9653215876601337
three shortest/longest (<10)/ bonds are [0.87394987 0.88122882 0.88401466] [1.08541725 1.110644 1.11426736]
95 percentile of distance to center is: 8.940331791426242
density of closest 95% monomers is: 0.4303618600943992
density of the core monomers is: 0.665847710633837
min/median/mean/max coordinates are:
x: -23.40, -14.07, -14.13, -5.44
y: -18.17, -9.38, -9.50, -0.39
z: -21.04, -11.81, -11.81, -2.98
Statistics for velocities:
mean kinetic energy is: 1.4827349290326206 should be: 1.5
fastest particles are (in kT): [7.11780291 7.19359357 7.32081067 7.35358783 7.5647305 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.239391765763273
bl=3950 pos[1]=[-14.2 -15.8 -5.1] dr=1.34 t=41500.0ps kin=1.50 pot=20.22 Rg=6.367 SPS=1245
bl=3951 pos[1]=[-16.5 -14.7 -5.9] dr=1.34 t=41510.0ps kin=1.49 pot=20.24 Rg=6.330 SPS=1279
bl=3952 pos[1]=[-14.9 -15.2 -4.0] dr=1.39 t=41520.0ps kin=1.49 pot=20.24 Rg=6.430 SPS=1274
bl=3953 pos[1]=[-12.1 -13.5 -4.5] dr=1.33 t=41530.0ps kin=1.54 pot=20.23 Rg=6.421 SPS=1285
bl=3954 pos[1]=[-13.1 -11.9 -3.1] dr=1.30 t=41540.0ps kin=1.48 pot=20.26 Rg=6.402 SPS=1282
bl=3955 pos[1]=[-15.9 -10.2 -2.7] dr=1.33 t=41550.0ps kin=1.56 pot=20.22 Rg=6.390 SPS=1275
bl=3956 pos[1]=[-18.9 -11.3 -4.0] dr=1.36 t=41560.0ps kin=1.47 pot=20.22 Rg=6.334 SPS=1309
bl=3957 pos[1]=[-19.7 -15.2 -6.0] dr=1.31 t=41570.0ps kin=1.53 pot=20.23 Rg=6.350 SPS=1271
bl=3958 pos[1]=[-18.8 -13.6 -6.4] dr=1.31 t=41580.0ps kin=1.47 pot=20.23 Rg=6.444 SPS=1277
bl=3959 pos[1]=[-18.2 -13.7 -7.0] dr=1.34 t=41590.0ps kin=1.46 pot=20.18 Rg=6.384 SPS=1278
bl=3960 pos[1]=[-21.8 -16.1 -7.0] dr=1.33 t=41600.0ps kin=1.52 pot=20.20 Rg=6.379 SPS=1245
bl=3961 pos[1]=[-20.1 -17.1 -6.8] dr=1.28 t=41610.0ps kin=1.50 pot=20.20 Rg=6.342 SPS=1261
bl=3962 pos[1]=[-17.0 -15.5 -5.1] dr=1.37 t=41620.0ps kin=1.53 pot=20.17 Rg=6.427 SPS=1256
bl=3963 pos[1]=[-18.0 -15.7 -6.3] dr=1.33 t=41630.0ps kin=1.46 pot=20.19 Rg=6.378 SPS=1273
bl=3964 pos[1]=[-18.1 -17.0 -8.3] dr=1.34 t=41640.0ps kin=1.51 pot=20.25 Rg=6.382 SPS=1266
bl=3965 pos[1]=[-16.5 -15.8 -9.5] dr=1.28 t=41650.0ps kin=1.47 pot=20.25 Rg=6.349 SPS=1247
bl=3966 pos[1]=[-14.6 -15.6 -9.3] dr=1.30 t=41660.0ps kin=1.56 pot=20.22 Rg=6.411 SPS=1277
bl=3967 pos[1]=[-15.2 -15.7 -9.1] dr=1.29 t=41670.0ps kin=1.47 pot=20.28 Rg=6.324 SPS=1268
bl=3968 pos[1]=[-14.8 -15.8 -9.7] dr=1.35 t=41680.0ps kin=1.46 pot=20.18 Rg=6.445 SPS=1284
bl=3969 pos[1]=[-14.2 -15.2 -10.5] dr=1.31 t=41690.0ps kin=1.51 pot=20.15 Rg=6.512 SPS=1196
bl=3970 pos[1]=[-15.2 -14.6 -10.2] dr=1.30 t=41700.0ps kin=1.45 pot=20.22 Rg=6.531 SPS=1261
bl=3971 pos[1]=[-14.5 -14.6 -9.5] dr=1.33 t=41710.0ps kin=1.47 pot=20.25 Rg=6.596 SPS=1321
bl=3972 pos[1]=[-14.6 -14.4 -9.5] dr=1.31 t=41720.0ps kin=1.51 pot=20.20 Rg=6.559 SPS=1368
bl=3973 pos[1]=[-14.4 -14.8 -8.2] dr=1.34 t=41730.0ps kin=1.52 pot=20.22 Rg=6.470 SPS=1297
bl=3974 pos[1]=[-13.4 -14.6 -8.0] dr=1.38 t=41740.0ps kin=1.55 pot=20.19 Rg=6.438 SPS=1277
bl=3975 pos[1]=[-14.4 -14.5 -6.8] dr=1.34 t=41750.0ps kin=1.54 pot=20.22 Rg=6.443 SPS=1269
bl=3976 pos[1]=[-14.1 -12.9 -7.7] dr=1.32 t=41760.0ps kin=1.49 pot=20.19 Rg=6.481 SPS=1274
bl=3977 pos[1]=[-15.0 -14.7 -8.6] dr=1.37 t=41770.0ps kin=1.50 pot=20.15 Rg=6.425 SPS=1267
bl=3978 pos[1]=[-14.9 -13.9 -8.0] dr=1.30 t=41780.0ps kin=1.49 pot=20.17 Rg=6.484 SPS=1253
bl=3979 pos[1]=[-14.9 -13.7 -9.1] dr=1.32 t=41790.0ps kin=1.44 pot=20.18 Rg=6.539 SPS=1156
bl=3980 pos[1]=[-15.0 -15.4 -10.8] dr=1.32 t=41800.0ps kin=1.45 pot=20.23 Rg=6.507 SPS=1254
bl=3981 pos[1]=[-14.3 -14.7 -7.6] dr=1.33 t=41810.0ps kin=1.46 pot=20.20 Rg=6.563 SPS=1278
bl=3982 pos[1]=[-15.0 -15.1 -8.8] dr=1.43 t=41820.0ps kin=1.56 pot=20.24 Rg=6.505 SPS=906
bl=3983 pos[1]=[-16.2 -15.6 -9.1] dr=1.33 t=41830.0ps kin=1.53 pot=20.28 Rg=6.514 SPS=1104
bl=3984 pos[1]=[-16.5 -15.0 -8.9] dr=1.35 t=41840.0ps kin=1.47 pot=20.25 Rg=6.599 SPS=668
bl=3985 pos[1]=[-16.1 -15.3 -10.0] dr=1.32 t=41850.0ps kin=1.52 pot=20.21 Rg=6.489 SPS=904
bl=3986 pos[1]=[-15.0 -16.6 -9.2] dr=1.35 t=41860.0ps kin=1.50 pot=20.27 Rg=6.487 SPS=673
bl=3987 pos[1]=[-15.6 -16.2 -8.9] dr=1.35 t=41870.0ps kin=1.47 pot=20.26 Rg=6.571 SPS=560
bl=3988 pos[1]=[-17.0 -16.0 -8.7] dr=1.28 t=41880.0ps kin=1.53 pot=20.27 Rg=6.553 SPS=942
bl=3989 pos[1]=[-19.1 -16.1 -8.4] dr=1.33 t=41890.0ps kin=1.48 pot=20.24 Rg=6.573 SPS=984
bl=3990 pos[1]=[-19.5 -17.5 -8.8] dr=1.33 t=41900.0ps kin=1.50 pot=20.31 Rg=6.572 SPS=1044
bl=3991 pos[1]=[-20.0 -16.8 -7.5] dr=1.37 t=41910.0ps kin=1.51 pot=20.22 Rg=6.534 SPS=1279
bl=3992 pos[1]=[-19.3 -17.1 -8.5] dr=1.36 t=41920.0ps kin=1.48 pot=20.21 Rg=6.485 SPS=1277
bl=3993 pos[1]=[-20.7 -17.5 -9.9] dr=1.33 t=41930.0ps kin=1.48 pot=20.24 Rg=6.482 SPS=1186
bl=3994 pos[1]=[-20.4 -17.7 -9.5] dr=1.30 t=41940.0ps kin=1.52 pot=20.26 Rg=6.502 SPS=1252
bl=3995 pos[1]=[-18.8 -16.6 -9.9] dr=1.37 t=41950.0ps kin=1.52 pot=20.31 Rg=6.492 SPS=1281
bl=3996 pos[1]=[-19.3 -16.8 -9.8] dr=1.41 t=41960.0ps kin=1.59 pot=20.24 Rg=6.428 SPS=1181
bl=3997 pos[1]=[-19.5 -14.1 -9.2] dr=1.44 t=41970.0ps kin=1.51 pot=20.29 Rg=6.509 SPS=1226
bl=3998 pos[1]=[-21.5 -15.9 -9.3] dr=1.32 t=41980.0ps kin=1.46 pot=20.20 Rg=6.542 SPS=1194
bl=3999 pos[1]=[-21.9 -15.4 -12.1] dr=1.34 t=41990.0ps kin=1.48 pot=20.26 Rg=6.550 SPS=1271
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.7470123 -10.92276126 -13.2727664 ] Rg = 6.550366
median bond size is 0.9648775013183903
three shortest/longest (<10)/ bonds are [0.8766128 0.88793183 0.88899211] [1.09965015 1.10180409 1.10947121]
95 percentile of distance to center is: 9.37950519096771
density of closest 95% monomers is: 0.3726961455253368
density of the core monomers is: 0.6929215976851648
min/median/mean/max coordinates are:
x: -23.58, -14.67, -14.75, -5.41
y: -18.42, -10.81, -10.92, -2.85
z: -22.50, -13.27, -13.27, -2.70
Statistics for velocities:
mean kinetic energy is: 1.481888501096588 should be: 1.5
fastest particles are (in kT): [6.62958403 6.65303061 7.32632667 7.5014394 9.98077489]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.255023967551622
bl=4000 pos[1]=[-24.3 -16.2 -13.8] dr=1.35 t=42000.0ps kin=1.52 pot=20.24 Rg=6.464 SPS=1281
bl=4001 pos[1]=[-24.5 -14.2 -14.5] dr=1.30 t=42010.0ps kin=1.53 pot=20.26 Rg=6.441 SPS=1237
bl=4002 pos[1]=[-21.7 -16.0 -15.1] dr=1.32 t=42020.0ps kin=1.51 pot=20.27 Rg=6.415 SPS=1218
bl=4003 pos[1]=[-21.1 -15.9 -16.2] dr=1.27 t=42030.0ps kin=1.50 pot=20.22 Rg=6.423 SPS=1236
bl=4004 pos[1]=[-22.1 -13.8 -15.6] dr=1.34 t=42040.0ps kin=1.53 pot=20.27 Rg=6.422 SPS=1212
bl=4005 pos[1]=[-22.8 -11.7 -13.5] dr=1.33 t=42050.0ps kin=1.53 pot=20.18 Rg=6.426 SPS=1277
bl=4006 pos[1]=[-21.5 -11.5 -14.0] dr=1.37 t=42060.0ps kin=1.51 pot=20.22 Rg=6.459 SPS=1222
bl=4007 pos[1]=[-22.4 -12.6 -14.2] dr=1.36 t=42070.0ps kin=1.48 pot=20.26 Rg=6.538 SPS=1233
bl=4008 pos[1]=[-22.1 -12.3 -14.4] dr=1.36 t=42080.0ps kin=1.46 pot=20.27 Rg=6.559 SPS=998
bl=4009 pos[1]=[-21.3 -11.8 -13.6] dr=1.33 t=42090.0ps kin=1.43 pot=20.27 Rg=6.476 SPS=803
bl=4010 pos[1]=[-21.0 -11.1 -13.2] dr=1.30 t=42100.0ps kin=1.46 pot=20.24 Rg=6.426 SPS=677
bl=4011 pos[1]=[-21.4 -10.8 -12.6] dr=1.32 t=42110.0ps kin=1.50 pot=20.16 Rg=6.374 SPS=1201
bl=4012 pos[1]=[-20.7 -10.1 -13.6] dr=1.29 t=42120.0ps kin=1.47 pot=20.18 Rg=6.411 SPS=1097
bl=4013 pos[1]=[-21.6 -10.4 -14.0] dr=1.34 t=42130.0ps kin=1.48 pot=20.19 Rg=6.376 SPS=1134
bl=4014 pos[1]=[-21.9 -9.2 -12.8] dr=1.31 t=42140.0ps kin=1.51 pot=20.19 Rg=6.420 SPS=1246
bl=4015 pos[1]=[-21.4 -8.3 -14.1] dr=1.26 t=42150.0ps kin=1.42 pot=20.20 Rg=6.433 SPS=1226
bl=4016 pos[1]=[-22.0 -8.7 -13.1] dr=1.29 t=42160.0ps kin=1.48 pot=20.21 Rg=6.423 SPS=1170
bl=4017 pos[1]=[-21.7 -9.1 -13.6] dr=1.27 t=42170.0ps kin=1.45 pot=20.20 Rg=6.470 SPS=1141
bl=4018 pos[1]=[-21.8 -9.2 -14.2] dr=1.33 t=42180.0ps kin=1.46 pot=20.20 Rg=6.507 SPS=1225
bl=4019 pos[1]=[-20.9 -10.3 -13.3] dr=1.33 t=42190.0ps kin=1.51 pot=20.20 Rg=6.485 SPS=1274
bl=4020 pos[1]=[-20.9 -10.6 -14.2] dr=1.31 t=42200.0ps kin=1.51 pot=20.18 Rg=6.463 SPS=1285
bl=4021 pos[1]=[-21.5 -10.0 -13.4] dr=1.31 t=42210.0ps kin=1.54 pot=20.25 Rg=6.468 SPS=1278
bl=4022 pos[1]=[-20.7 -11.0 -15.1] dr=1.30 t=42220.0ps kin=1.45 pot=20.23 Rg=6.488 SPS=1246
bl=4023 pos[1]=[-20.5 -10.8 -14.9] dr=1.34 t=42230.0ps kin=1.44 pot=20.22 Rg=6.447 SPS=1238
bl=4024 pos[1]=[-23.1 -11.5 -14.9] dr=1.34 t=42240.0ps kin=1.54 pot=20.20 Rg=6.455 SPS=1221
bl=4025 pos[1]=[-24.3 -12.3 -14.8] dr=1.31 t=42250.0ps kin=1.51 pot=20.21 Rg=6.478 SPS=1206
bl=4026 pos[1]=[-21.8 -11.3 -15.7] dr=1.29 t=42260.0ps kin=1.45 pot=20.17 Rg=6.488 SPS=1175
bl=4027 pos[1]=[-22.7 -11.5 -15.5] dr=1.34 t=42270.0ps kin=1.48 pot=20.22 Rg=6.523 SPS=1263
bl=4028 pos[1]=[-22.1 -11.5 -14.0] dr=1.36 t=42280.0ps kin=1.49 pot=20.20 Rg=6.509 SPS=1224
bl=4029 pos[1]=[-22.6 -11.9 -13.5] dr=1.33 t=42290.0ps kin=1.49 pot=20.21 Rg=6.516 SPS=1217
bl=4030 pos[1]=[-23.9 -11.9 -12.6] dr=1.32 t=42300.0ps kin=1.53 pot=20.23 Rg=6.493 SPS=1208
bl=4031 pos[1]=[-22.2 -11.9 -11.3] dr=1.38 t=42310.0ps kin=1.50 pot=20.22 Rg=6.582 SPS=1194
bl=4032 pos[1]=[-21.3 -11.8 -12.4] dr=1.37 t=42320.0ps kin=1.50 pot=20.22 Rg=6.451 SPS=1235
bl=4033 pos[1]=[-20.5 -12.3 -12.6] dr=1.40 t=42330.0ps kin=1.61 pot=20.17 Rg=6.463 SPS=1221
bl=4034 pos[1]=[-20.9 -14.3 -13.1] dr=1.32 t=42340.0ps kin=1.47 pot=20.30 Rg=6.468 SPS=1249
bl=4035 pos[1]=[-21.4 -13.5 -14.4] dr=1.31 t=42350.0ps kin=1.51 pot=20.14 Rg=6.445 SPS=1259
bl=4036 pos[1]=[-21.1 -14.1 -14.8] dr=1.34 t=42360.0ps kin=1.47 pot=20.24 Rg=6.475 SPS=1297
bl=4037 pos[1]=[-20.8 -13.9 -15.4] dr=1.32 t=42370.0ps kin=1.45 pot=20.27 Rg=6.512 SPS=1153
bl=4038 pos[1]=[-21.7 -14.8 -14.5] dr=1.28 t=42380.0ps kin=1.50 pot=20.21 Rg=6.503 SPS=1229
bl=4039 pos[1]=[-21.7 -13.9 -13.2] dr=1.37 t=42390.0ps kin=1.43 pot=20.23 Rg=6.524 SPS=1289
bl=4040 pos[1]=[-22.0 -14.1 -13.7] dr=1.34 t=42400.0ps kin=1.52 pot=20.21 Rg=6.473 SPS=1215
bl=4041 pos[1]=[-20.9 -14.2 -13.6] dr=1.37 t=42410.0ps kin=1.47 pot=20.20 Rg=6.475 SPS=1293
bl=4042 pos[1]=[-21.8 -13.8 -14.3] dr=1.32 t=42420.0ps kin=1.44 pot=20.22 Rg=6.447 SPS=1308
bl=4043 pos[1]=[-21.2 -13.5 -14.8] dr=1.33 t=42430.0ps kin=1.56 pot=20.16 Rg=6.327 SPS=691
bl=4044 pos[1]=[-21.1 -14.7 -14.8] dr=1.31 t=42440.0ps kin=1.50 pot=20.23 Rg=6.460 SPS=1283
bl=4045 pos[1]=[-19.8 -16.2 -13.0] dr=1.30 t=42450.0ps kin=1.49 pot=20.26 Rg=6.479 SPS=1342
bl=4046 pos[1]=[-19.6 -14.7 -13.5] dr=1.28 t=42460.0ps kin=1.52 pot=20.20 Rg=6.423 SPS=932
bl=4047 pos[1]=[-20.1 -14.3 -12.1] dr=1.35 t=42470.0ps kin=1.51 pot=20.18 Rg=6.413 SPS=774
bl=4048 pos[1]=[-21.1 -13.1 -11.7] dr=1.30 t=42480.0ps kin=1.48 pot=20.14 Rg=6.330 SPS=760
bl=4049 pos[1]=[-23.6 -12.7 -10.4] dr=1.25 t=42490.0ps kin=1.51 pot=20.12 Rg=6.378 SPS=1301
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.55722577 -11.79005436 -12.62021207] Rg = 6.377854
median bond size is 0.967143807594347
three shortest/longest (<10)/ bonds are [0.88871333 0.89509164 0.89525974] [1.07995451 1.08038353 1.08149439]
95 percentile of distance to center is: 8.933404076327989
density of closest 95% monomers is: 0.4313638533914641
density of the core monomers is: 0.7047548106853194
min/median/mean/max coordinates are:
x: -24.16, -15.41, -15.56, -7.75
y: -20.79, -11.87, -11.79, -3.70
z: -20.45, -12.63, -12.62, -4.70
Statistics for velocities:
mean kinetic energy is: 1.5088398060537986 should be: 1.5
fastest particles are (in kT): [7.0088301 7.01480366 7.09787058 8.18547881 8.81859029]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.117247995022122
bl=4050 pos[1]=[-23.7 -15.5 -9.5] dr=1.32 t=42500.0ps kin=1.50 pot=20.19 Rg=6.398 SPS=1304
bl=4051 pos[1]=[-23.3 -14.2 -7.9] dr=1.33 t=42510.0ps kin=1.55 pot=20.25 Rg=6.376 SPS=1326
bl=4052 pos[1]=[-22.9 -12.8 -9.0] dr=1.30 t=42520.0ps kin=1.55 pot=20.15 Rg=6.397 SPS=1314
bl=4053 pos[1]=[-22.5 -13.3 -6.9] dr=1.27 t=42530.0ps kin=1.41 pot=20.11 Rg=6.417 SPS=1320
bl=4054 pos[1]=[-20.1 -15.2 -8.3] dr=1.30 t=42540.0ps kin=1.42 pot=20.14 Rg=6.395 SPS=1298
bl=4055 pos[1]=[-21.6 -14.1 -6.1] dr=1.35 t=42550.0ps kin=1.54 pot=20.18 Rg=6.390 SPS=1296
bl=4056 pos[1]=[-20.6 -11.9 -7.1] dr=1.34 t=42560.0ps kin=1.52 pot=20.25 Rg=6.388 SPS=1300
bl=4057 pos[1]=[-20.8 -11.9 -5.6] dr=1.34 t=42570.0ps kin=1.47 pot=20.19 Rg=6.390 SPS=1325
bl=4058 pos[1]=[-21.8 -12.0 -7.8] dr=1.33 t=42580.0ps kin=1.51 pot=20.15 Rg=6.347 SPS=1320
bl=4059 pos[1]=[-22.4 -13.6 -7.3] dr=1.34 t=42590.0ps kin=1.52 pot=20.23 Rg=6.428 SPS=1299
bl=4060 pos[1]=[-23.0 -13.9 -10.5] dr=1.40 t=42600.0ps kin=1.54 pot=20.21 Rg=6.400 SPS=1320
bl=4061 pos[1]=[-22.1 -15.5 -7.7] dr=1.34 t=42610.0ps kin=1.52 pot=20.21 Rg=6.384 SPS=1320
bl=4062 pos[1]=[-22.8 -15.1 -8.4] dr=1.30 t=42620.0ps kin=1.50 pot=20.21 Rg=6.459 SPS=1168
bl=4063 pos[1]=[-23.9 -15.5 -7.6] dr=1.30 t=42630.0ps kin=1.50 pot=20.17 Rg=6.444 SPS=1343
bl=4064 pos[1]=[-23.2 -16.0 -8.6] dr=1.35 t=42640.0ps kin=1.47 pot=20.18 Rg=6.476 SPS=1311
bl=4065 pos[1]=[-21.0 -15.8 -7.3] dr=1.30 t=42650.0ps kin=1.47 pot=20.27 Rg=6.534 SPS=1314
bl=4066 pos[1]=[-22.0 -16.9 -8.2] dr=1.38 t=42660.0ps kin=1.54 pot=20.26 Rg=6.462 SPS=1317
bl=4067 pos[1]=[-25.5 -17.4 -10.2] dr=1.33 t=42670.0ps kin=1.49 pot=20.25 Rg=6.459 SPS=1321
bl=4068 pos[1]=[-25.7 -17.7 -9.9] dr=1.32 t=42680.0ps kin=1.55 pot=20.20 Rg=6.344 SPS=1342
bl=4069 pos[1]=[-23.0 -19.6 -11.5] dr=1.36 t=42690.0ps kin=1.49 pot=20.28 Rg=6.414 SPS=1327
bl=4070 pos[1]=[-21.3 -20.2 -10.0] dr=1.42 t=42700.0ps kin=1.51 pot=20.22 Rg=6.454 SPS=1339
bl=4071 pos[1]=[-20.7 -18.2 -10.4] dr=1.36 t=42710.0ps kin=1.52 pot=20.21 Rg=6.533 SPS=1333
bl=4072 pos[1]=[-20.4 -17.2 -11.9] dr=1.38 t=42720.0ps kin=1.50 pot=20.30 Rg=6.531 SPS=1332
bl=4073 pos[1]=[-22.0 -17.9 -11.6] dr=1.35 t=42730.0ps kin=1.46 pot=20.23 Rg=6.446 SPS=1336
bl=4074 pos[1]=[-23.3 -16.7 -10.7] dr=1.35 t=42740.0ps kin=1.47 pot=20.25 Rg=6.413 SPS=1312
bl=4075 pos[1]=[-22.8 -17.6 -11.0] dr=1.34 t=42750.0ps kin=1.56 pot=20.23 Rg=6.368 SPS=1194
bl=4076 pos[1]=[-22.9 -17.8 -10.2] dr=1.35 t=42760.0ps kin=1.52 pot=20.24 Rg=6.456 SPS=1321
bl=4077 pos[1]=[-21.6 -18.3 -11.2] dr=1.34 t=42770.0ps kin=1.48 pot=20.27 Rg=6.431 SPS=1325
bl=4078 pos[1]=[-21.4 -16.8 -12.7] dr=1.37 t=42780.0ps kin=1.47 pot=20.22 Rg=6.386 SPS=1338
bl=4079 pos[1]=[-21.9 -17.2 -13.8] dr=1.38 t=42790.0ps kin=1.54 pot=20.17 Rg=6.369 SPS=1280
bl=4080 pos[1]=[-21.6 -18.4 -13.2] dr=1.36 t=42800.0ps kin=1.50 pot=20.16 Rg=6.359 SPS=1312
bl=4081 pos[1]=[-20.5 -17.7 -12.3] dr=1.35 t=42810.0ps kin=1.50 pot=20.18 Rg=6.353 SPS=1319
bl=4082 pos[1]=[-21.9 -17.7 -11.7] dr=1.31 t=42820.0ps kin=1.47 pot=20.17 Rg=6.370 SPS=1132
bl=4083 pos[1]=[-21.7 -16.6 -10.3] dr=1.31 t=42830.0ps kin=1.59 pot=20.23 Rg=6.370 SPS=711
bl=4084 pos[1]=[-21.6 -18.4 -9.6] dr=1.38 t=42840.0ps kin=1.50 pot=20.21 Rg=6.450 SPS=1270
bl=4085 pos[1]=[-20.1 -19.9 -10.1] dr=1.31 t=42850.0ps kin=1.47 pot=20.20 Rg=6.379 SPS=1312
bl=4086 pos[1]=[-22.7 -19.5 -9.8] dr=1.31 t=42860.0ps kin=1.46 pot=20.17 Rg=6.428 SPS=1308
bl=4087 pos[1]=[-20.9 -17.9 -10.0] dr=1.37 t=42870.0ps kin=1.54 pot=20.20 Rg=6.483 SPS=1320
bl=4088 pos[1]=[-21.4 -19.5 -10.3] dr=1.38 t=42880.0ps kin=1.46 pot=20.23 Rg=6.560 SPS=1330
bl=4089 pos[1]=[-22.4 -23.4 -13.7] dr=1.34 t=42890.0ps kin=1.47 pot=20.22 Rg=6.519 SPS=1319
bl=4090 pos[1]=[-19.8 -23.6 -14.8] dr=1.30 t=42900.0ps kin=1.47 pot=20.25 Rg=6.422 SPS=1315
bl=4091 pos[1]=[-17.6 -20.9 -14.1] dr=1.26 t=42910.0ps kin=1.51 pot=20.23 Rg=6.412 SPS=1329
bl=4092 pos[1]=[-17.2 -20.3 -10.0] dr=1.37 t=42920.0ps kin=1.49 pot=20.19 Rg=6.407 SPS=1322
bl=4093 pos[1]=[-15.5 -17.8 -11.8] dr=1.36 t=42930.0ps kin=1.49 pot=20.32 Rg=6.474 SPS=1338
bl=4094 pos[1]=[-14.1 -17.5 -11.1] dr=1.37 t=42940.0ps kin=1.50 pot=20.26 Rg=6.408 SPS=1336
bl=4095 pos[1]=[-14.3 -19.2 -10.8] dr=1.34 t=42950.0ps kin=1.53 pot=20.24 Rg=6.381 SPS=1324
bl=4096 pos[1]=[-14.9 -19.2 -12.1] dr=1.34 t=42960.0ps kin=1.51 pot=20.23 Rg=6.385 SPS=1313
bl=4097 pos[1]=[-15.3 -20.3 -10.3] dr=1.28 t=42970.0ps kin=1.47 pot=20.26 Rg=6.487 SPS=1285
bl=4098 pos[1]=[-14.3 -16.7 -9.6] dr=1.31 t=42980.0ps kin=1.50 pot=20.26 Rg=6.565 SPS=1353
bl=4099 pos[1]=[-14.1 -17.5 -10.0] dr=1.35 t=42990.0ps kin=1.43 pot=20.24 Rg=6.449 SPS=1352
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-17.19000163 -11.8776962 -14.4938863 ] Rg = 6.4493694
median bond size is 0.9656229062811461
three shortest/longest (<10)/ bonds are [0.88477885 0.88576939 0.88911829] [1.08261069 1.11275826 1.12767064]
95 percentile of distance to center is: 9.072313721710811
density of closest 95% monomers is: 0.4118513616986409
density of the core monomers is: 0.7456883107901677
min/median/mean/max coordinates are:
x: -26.11, -17.09, -17.19, -8.53
y: -19.25, -11.98, -11.88, -4.44
z: -24.61, -14.31, -14.49, -4.80
Statistics for velocities:
mean kinetic energy is: 1.4347534081723927 should be: 1.5
fastest particles are (in kT): [6.14969441 6.23089787 6.91536865 7.0493298 7.4126349 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.238480019358406
bl=4100 pos[1]=[-14.7 -17.3 -10.3] dr=1.33 t=43000.0ps kin=1.50 pot=20.21 Rg=6.432 SPS=1311
bl=4101 pos[1]=[-15.8 -16.5 -9.4] dr=1.34 t=43010.0ps kin=1.50 pot=20.20 Rg=6.477 SPS=1316
bl=4102 pos[1]=[-16.9 -17.7 -9.4] dr=1.37 t=43020.0ps kin=1.48 pot=20.19 Rg=6.491 SPS=1318
bl=4103 pos[1]=[-18.2 -17.7 -10.0] dr=1.30 t=43030.0ps kin=1.46 pot=20.19 Rg=6.397 SPS=1344
bl=4104 pos[1]=[-20.2 -20.9 -10.6] dr=1.29 t=43040.0ps kin=1.44 pot=20.15 Rg=6.411 SPS=1308
bl=4105 pos[1]=[-19.1 -18.2 -10.3] dr=1.28 t=43050.0ps kin=1.54 pot=20.18 Rg=6.388 SPS=1327
bl=4106 pos[1]=[-19.6 -19.4 -11.2] dr=1.31 t=43060.0ps kin=1.49 pot=20.24 Rg=6.391 SPS=794
bl=4107 pos[1]=[-20.7 -19.2 -7.6] dr=1.33 t=43070.0ps kin=1.52 pot=20.25 Rg=6.489 SPS=983
bl=4108 pos[1]=[-21.4 -16.7 -7.4] dr=1.37 t=43080.0ps kin=1.56 pot=20.24 Rg=6.512 SPS=987
bl=4109 pos[1]=[-22.4 -14.6 -9.0] dr=1.35 t=43090.0ps kin=1.49 pot=20.29 Rg=6.483 SPS=1239
bl=4110 pos[1]=[-22.2 -15.6 -7.0] dr=1.32 t=43100.0ps kin=1.54 pot=20.19 Rg=6.497 SPS=1319
bl=4111 pos[1]=[-24.5 -14.7 -8.2] dr=1.40 t=43110.0ps kin=1.53 pot=20.23 Rg=6.478 SPS=1320
bl=4112 pos[1]=[-24.5 -13.3 -8.4] dr=1.28 t=43120.0ps kin=1.56 pot=20.21 Rg=6.422 SPS=1307
bl=4113 pos[1]=[-24.5 -14.3 -8.3] dr=1.34 t=43130.0ps kin=1.46 pot=20.23 Rg=6.419 SPS=879
bl=4114 pos[1]=[-23.6 -15.5 -7.8] dr=1.28 t=43140.0ps kin=1.52 pot=20.20 Rg=6.434 SPS=1204
bl=4115 pos[1]=[-23.4 -14.3 -9.3] dr=1.27 t=43150.0ps kin=1.49 pot=20.18 Rg=6.440 SPS=1296
bl=4116 pos[1]=[-21.8 -14.5 -5.4] dr=1.33 t=43160.0ps kin=1.56 pot=20.21 Rg=6.424 SPS=1320
bl=4117 pos[1]=[-21.8 -14.0 -4.0] dr=1.35 t=43170.0ps kin=1.53 pot=20.19 Rg=6.378 SPS=1304
bl=4118 pos[1]=[-21.4 -12.3 -4.6] dr=1.36 t=43180.0ps kin=1.50 pot=20.21 Rg=6.466 SPS=1297
bl=4119 pos[1]=[-19.7 -12.7 -7.2] dr=1.32 t=43190.0ps kin=1.49 pot=20.18 Rg=6.414 SPS=1324
bl=4120 pos[1]=[-21.5 -11.5 -5.4] dr=1.28 t=43200.0ps kin=1.50 pot=20.17 Rg=6.490 SPS=1326
bl=4121 pos[1]=[-19.1 -10.2 -8.1] dr=1.33 t=43210.0ps kin=1.49 pot=20.23 Rg=6.413 SPS=1325
bl=4122 pos[1]=[-18.7 -10.5 -9.5] dr=1.32 t=43220.0ps kin=1.46 pot=20.21 Rg=6.401 SPS=1341
bl=4123 pos[1]=[-20.4 -12.2 -7.1] dr=1.32 t=43230.0ps kin=1.50 pot=20.12 Rg=6.319 SPS=1304
bl=4124 pos[1]=[-18.8 -13.4 -6.0] dr=1.32 t=43240.0ps kin=1.47 pot=20.21 Rg=6.397 SPS=1322
bl=4125 pos[1]=[-20.2 -16.2 -7.6] dr=1.31 t=43250.0ps kin=1.48 pot=20.20 Rg=6.416 SPS=1342
bl=4126 pos[1]=[-19.2 -16.2 -8.8] dr=1.34 t=43260.0ps kin=1.46 pot=20.22 Rg=6.392 SPS=1343
bl=4127 pos[1]=[-18.9 -16.7 -8.7] dr=1.28 t=43270.0ps kin=1.46 pot=20.18 Rg=6.368 SPS=1281
bl=4128 pos[1]=[-20.0 -16.9 -8.5] dr=1.31 t=43280.0ps kin=1.45 pot=20.24 Rg=6.444 SPS=1286
bl=4129 pos[1]=[-20.3 -16.2 -8.1] dr=1.33 t=43290.0ps kin=1.47 pot=20.23 Rg=6.401 SPS=1322
bl=4130 pos[1]=[-20.7 -14.2 -9.2] dr=1.29 t=43300.0ps kin=1.52 pot=20.18 Rg=6.374 SPS=1036
bl=4131 pos[1]=[-19.3 -14.3 -8.4] dr=1.27 t=43310.0ps kin=1.45 pot=20.22 Rg=6.432 SPS=736
bl=4132 pos[1]=[-19.4 -15.2 -7.3] dr=1.30 t=43320.0ps kin=1.43 pot=20.26 Rg=6.382 SPS=1283
bl=4133 pos[1]=[-17.7 -14.9 -7.0] dr=1.37 t=43330.0ps kin=1.48 pot=20.22 Rg=6.394 SPS=1264
bl=4134 pos[1]=[-17.4 -16.7 -7.1] dr=1.33 t=43340.0ps kin=1.54 pot=20.26 Rg=6.435 SPS=728
bl=4135 pos[1]=[-16.2 -17.6 -10.5] dr=1.37 t=43350.0ps kin=1.57 pot=20.25 Rg=6.387 SPS=1368
bl=4136 pos[1]=[-16.0 -16.7 -9.8] dr=1.33 t=43360.0ps kin=1.48 pot=20.24 Rg=6.414 SPS=770
bl=4137 pos[1]=[-16.3 -14.2 -8.4] dr=1.30 t=43370.0ps kin=1.49 pot=20.19 Rg=6.429 SPS=685
bl=4138 pos[1]=[-17.7 -14.1 -7.6] dr=1.34 t=43380.0ps kin=1.48 pot=20.26 Rg=6.472 SPS=1092
bl=4139 pos[1]=[-18.8 -12.6 -8.0] dr=1.36 t=43390.0ps kin=1.46 pot=20.24 Rg=6.417 SPS=780
bl=4140 pos[1]=[-18.5 -15.7 -7.1] dr=1.34 t=43400.0ps kin=1.50 pot=20.26 Rg=6.432 SPS=808
bl=4141 pos[1]=[-19.3 -15.2 -7.8] dr=1.34 t=43410.0ps kin=1.50 pot=20.22 Rg=6.489 SPS=1182
bl=4142 pos[1]=[-19.2 -14.6 -8.4] dr=1.33 t=43420.0ps kin=1.54 pot=20.26 Rg=6.414 SPS=759
bl=4143 pos[1]=[-18.9 -14.7 -9.3] dr=1.32 t=43430.0ps kin=1.51 pot=20.27 Rg=6.496 SPS=1287
bl=4144 pos[1]=[-20.1 -16.2 -9.0] dr=1.35 t=43440.0ps kin=1.48 pot=20.24 Rg=6.434 SPS=961
bl=4145 pos[1]=[-18.4 -15.9 -9.4] dr=1.35 t=43450.0ps kin=1.55 pot=20.20 Rg=6.399 SPS=754
bl=4146 pos[1]=[-17.2 -16.9 -8.7] dr=1.31 t=43460.0ps kin=1.53 pot=20.13 Rg=6.414 SPS=769
bl=4147 pos[1]=[-18.7 -18.1 -10.1] dr=1.33 t=43470.0ps kin=1.48 pot=20.22 Rg=6.531 SPS=700
bl=4148 pos[1]=[-18.8 -19.9 -12.1] dr=1.33 t=43480.0ps kin=1.48 pot=20.17 Rg=6.466 SPS=740
bl=4149 pos[1]=[-16.9 -19.3 -12.3] dr=1.30 t=43490.0ps kin=1.46 pot=20.17 Rg=6.439 SPS=898
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-17.87460168 -11.41219599 -14.57831299] Rg = 6.439212
median bond size is 0.965270967477325
three shortest/longest (<10)/ bonds are [0.88357215 0.88474051 0.88531019] [1.08546421 1.08847184 1.09302172]
95 percentile of distance to center is: 9.184291875113532
density of closest 95% monomers is: 0.3969699698363938
density of the core monomers is: 0.6720801155181836
min/median/mean/max coordinates are:
x: -26.73, -17.88, -17.87, -9.95
y: -20.92, -11.34, -11.41, -3.41
z: -25.24, -14.67, -14.58, -5.98
Statistics for velocities:
mean kinetic energy is: 1.4668789951529204 should be: 1.5
fastest particles are (in kT): [6.18978016 6.57754262 6.67594422 6.93855081 7.98982784]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.16715206720133
bl=4150 pos[1]=[-19.6 -19.5 -14.1] dr=1.32 t=43500.0ps kin=1.50 pot=20.16 Rg=6.362 SPS=908
bl=4151 pos[1]=[-22.4 -19.5 -15.5] dr=1.33 t=43510.0ps kin=1.51 pot=20.20 Rg=6.415 SPS=911
bl=4152 pos[1]=[-22.5 -18.6 -17.1] dr=1.36 t=43520.0ps kin=1.49 pot=20.14 Rg=6.364 SPS=730
bl=4153 pos[1]=[-22.7 -21.0 -16.5] dr=1.30 t=43530.0ps kin=1.45 pot=20.19 Rg=6.397 SPS=723
bl=4154 pos[1]=[-26.7 -20.5 -16.7] dr=1.35 t=43540.0ps kin=1.44 pot=20.17 Rg=6.455 SPS=710
bl=4155 pos[1]=[-26.2 -20.4 -15.2] dr=1.32 t=43550.0ps kin=1.48 pot=20.20 Rg=6.424 SPS=793
bl=4156 pos[1]=[-25.6 -21.9 -14.7] dr=1.32 t=43560.0ps kin=1.50 pot=20.19 Rg=6.383 SPS=1160
bl=4157 pos[1]=[-25.3 -20.1 -15.4] dr=1.35 t=43570.0ps kin=1.49 pot=20.21 Rg=6.390 SPS=1129
bl=4158 pos[1]=[-23.7 -17.2 -14.2] dr=1.38 t=43580.0ps kin=1.49 pot=20.21 Rg=6.426 SPS=828
bl=4159 pos[1]=[-22.8 -15.5 -13.7] dr=1.31 t=43590.0ps kin=1.53 pot=20.20 Rg=6.445 SPS=1085
bl=4160 pos[1]=[-21.5 -15.3 -12.4] dr=1.41 t=43600.0ps kin=1.53 pot=20.18 Rg=6.429 SPS=977
bl=4161 pos[1]=[-20.9 -15.4 -11.3] dr=1.34 t=43610.0ps kin=1.49 pot=20.17 Rg=6.473 SPS=1198
bl=4162 pos[1]=[-21.0 -15.9 -12.6] dr=1.32 t=43620.0ps kin=1.51 pot=20.23 Rg=6.413 SPS=758
bl=4163 pos[1]=[-22.3 -15.5 -12.2] dr=1.28 t=43630.0ps kin=1.48 pot=20.20 Rg=6.452 SPS=876
bl=4164 pos[1]=[-23.5 -15.4 -11.3] dr=1.32 t=43640.0ps kin=1.49 pot=20.24 Rg=6.537 SPS=896
bl=4165 pos[1]=[-23.7 -16.7 -12.8] dr=1.39 t=43650.0ps kin=1.50 pot=20.19 Rg=6.548 SPS=1149
bl=4166 pos[1]=[-24.2 -15.6 -13.6] dr=1.29 t=43660.0ps kin=1.47 pot=20.24 Rg=6.587 SPS=1173
bl=4167 pos[1]=[-24.3 -15.6 -15.4] dr=1.34 t=43670.0ps kin=1.47 pot=20.21 Rg=6.589 SPS=1338
bl=4168 pos[1]=[-24.2 -15.8 -16.7] dr=1.35 t=43680.0ps kin=1.48 pot=20.23 Rg=6.584 SPS=1093
bl=4169 pos[1]=[-25.1 -16.1 -16.1] dr=1.36 t=43690.0ps kin=1.45 pot=20.27 Rg=6.561 SPS=776
bl=4170 pos[1]=[-20.9 -19.2 -14.3] dr=1.40 t=43700.0ps kin=1.54 pot=20.26 Rg=6.627 SPS=758
bl=4171 pos[1]=[-21.2 -18.5 -14.1] dr=1.35 t=43710.0ps kin=1.52 pot=20.30 Rg=6.659 SPS=762
bl=4172 pos[1]=[-24.2 -17.8 -14.1] dr=1.36 t=43720.0ps kin=1.53 pot=20.33 Rg=6.747 SPS=968
bl=4173 pos[1]=[-23.9 -18.7 -15.4] dr=1.38 t=43730.0ps kin=1.50 pot=20.30 Rg=6.691 SPS=798
bl=4174 pos[1]=[-23.3 -21.9 -13.6] dr=1.39 t=43740.0ps kin=1.49 pot=20.27 Rg=6.703 SPS=1364
bl=4175 pos[1]=[-19.9 -19.9 -13.6] dr=1.40 t=43750.0ps kin=1.53 pot=20.28 Rg=6.633 SPS=884
bl=4176 pos[1]=[-21.9 -18.1 -14.3] dr=1.39 t=43760.0ps kin=1.52 pot=20.24 Rg=6.738 SPS=822
bl=4177 pos[1]=[-20.4 -17.4 -14.0] dr=1.38 t=43770.0ps kin=1.48 pot=20.24 Rg=6.705 SPS=1058
bl=4178 pos[1]=[-18.5 -20.2 -14.3] dr=1.35 t=43780.0ps kin=1.51 pot=20.27 Rg=6.684 SPS=1024
bl=4179 pos[1]=[-15.8 -19.6 -14.3] dr=1.39 t=43790.0ps kin=1.50 pot=20.23 Rg=6.554 SPS=872
bl=4180 pos[1]=[-16.3 -19.0 -13.4] dr=1.35 t=43800.0ps kin=1.50 pot=20.23 Rg=6.587 SPS=756
bl=4181 pos[1]=[-14.0 -18.6 -13.0] dr=1.40 t=43810.0ps kin=1.47 pot=20.26 Rg=6.589 SPS=1056
bl=4182 pos[1]=[-14.4 -21.1 -15.5] dr=1.31 t=43820.0ps kin=1.51 pot=20.23 Rg=6.510 SPS=1224
bl=4183 pos[1]=[-14.6 -18.0 -19.4] dr=1.39 t=43830.0ps kin=1.53 pot=20.21 Rg=6.430 SPS=1086
bl=4184 pos[1]=[-15.1 -17.2 -19.6] dr=1.34 t=43840.0ps kin=1.53 pot=20.23 Rg=6.537 SPS=996
bl=4185 pos[1]=[-13.5 -16.0 -20.2] dr=1.37 t=43850.0ps kin=1.55 pot=20.21 Rg=6.611 SPS=1002
bl=4186 pos[1]=[-14.5 -15.8 -19.0] dr=1.35 t=43860.0ps kin=1.53 pot=20.20 Rg=6.514 SPS=1124
bl=4187 pos[1]=[-13.4 -17.6 -19.1] dr=1.30 t=43870.0ps kin=1.47 pot=20.21 Rg=6.495 SPS=1054
bl=4188 pos[1]=[-11.4 -19.0 -20.1] dr=1.39 t=43880.0ps kin=1.47 pot=20.20 Rg=6.406 SPS=1320
bl=4189 pos[1]=[-10.9 -18.0 -17.8] dr=1.29 t=43890.0ps kin=1.44 pot=20.18 Rg=6.391 SPS=1318
bl=4190 pos[1]=[-11.9 -18.0 -18.0] dr=1.32 t=43900.0ps kin=1.49 pot=20.20 Rg=6.390 SPS=1313
bl=4191 pos[1]=[-13.1 -18.1 -17.3] dr=1.36 t=43910.0ps kin=1.46 pot=20.23 Rg=6.353 SPS=652
bl=4192 pos[1]=[-12.2 -17.8 -16.3] dr=1.35 t=43920.0ps kin=1.45 pot=20.24 Rg=6.427 SPS=763
bl=4193 pos[1]=[-12.6 -17.8 -16.9] dr=1.37 t=43930.0ps kin=1.50 pot=20.21 Rg=6.459 SPS=1384
bl=4194 pos[1]=[-12.6 -16.0 -17.1] dr=1.30 t=43940.0ps kin=1.45 pot=20.20 Rg=6.462 SPS=873
bl=4195 pos[1]=[-12.2 -16.5 -19.9] dr=1.30 t=43950.0ps kin=1.48 pot=20.19 Rg=6.460 SPS=963
bl=4196 pos[1]=[-12.0 -17.3 -19.3] dr=1.33 t=43960.0ps kin=1.43 pot=20.20 Rg=6.399 SPS=1003
bl=4197 pos[1]=[-14.0 -15.5 -18.7] dr=1.29 t=43970.0ps kin=1.47 pot=20.11 Rg=6.354 SPS=1060
bl=4198 pos[1]=[-15.5 -15.1 -18.5] dr=1.39 t=43980.0ps kin=1.51 pot=20.12 Rg=6.408 SPS=1028
bl=4199 pos[1]=[-15.2 -14.0 -19.3] dr=1.30 t=43990.0ps kin=1.49 pot=20.17 Rg=6.359 SPS=1286
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-17.77639721 -11.35780329 -14.08302052] Rg = 6.3589773
median bond size is 0.9623779763724852
three shortest/longest (<10)/ bonds are [0.88642873 0.88658533 0.89394725] [1.07305778 1.07350246 1.07581961]
95 percentile of distance to center is: 8.810245094269321
density of closest 95% monomers is: 0.4497081047058947
density of the core monomers is: 0.6511414918031979
min/median/mean/max coordinates are:
x: -27.62, -17.79, -17.78, -10.04
y: -21.67, -11.20, -11.36, -3.38
z: -24.42, -13.89, -14.08, -5.53
Statistics for velocities:
mean kinetic energy is: 1.4939912688879655 should be: 1.5
fastest particles are (in kT): [7.05996715 7.19620207 7.29500315 7.31573193 9.2823525 ]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.16800763965708
bl=4200 pos[1]=[-16.0 -13.2 -19.2] dr=1.31 t=44000.0ps kin=1.48 pot=20.20 Rg=6.340 SPS=1244
bl=4201 pos[1]=[-15.0 -12.7 -20.3] dr=1.31 t=44010.0ps kin=1.47 pot=20.17 Rg=6.413 SPS=1105
bl=4202 pos[1]=[-13.7 -13.6 -20.1] dr=1.31 t=44020.0ps kin=1.52 pot=20.23 Rg=6.345 SPS=769
bl=4203 pos[1]=[-13.4 -14.6 -21.4] dr=1.38 t=44030.0ps kin=1.48 pot=20.25 Rg=6.429 SPS=1278
bl=4204 pos[1]=[-13.6 -14.3 -22.8] dr=1.41 t=44040.0ps kin=1.52 pot=20.21 Rg=6.420 SPS=722
bl=4205 pos[1]=[-13.2 -12.8 -20.9] dr=1.33 t=44050.0ps kin=1.48 pot=20.21 Rg=6.382 SPS=897
bl=4206 pos[1]=[-12.0 -11.2 -18.1] dr=1.36 t=44060.0ps kin=1.53 pot=20.21 Rg=6.367 SPS=840
bl=4207 pos[1]=[-11.5 -9.9 -18.7] dr=1.36 t=44070.0ps kin=1.47 pot=20.20 Rg=6.396 SPS=1314
bl=4208 pos[1]=[-10.9 -9.4 -19.7] dr=1.32 t=44080.0ps kin=1.50 pot=20.18 Rg=6.334 SPS=1086
bl=4209 pos[1]=[-9.1 -10.9 -20.1] dr=1.29 t=44090.0ps kin=1.48 pot=20.19 Rg=6.355 SPS=1099
bl=4210 pos[1]=[-10.4 -11.8 -20.9] dr=1.26 t=44100.0ps kin=1.49 pot=20.18 Rg=6.398 SPS=1296
bl=4211 pos[1]=[-11.8 -9.8 -21.7] dr=1.30 t=44110.0ps kin=1.48 pot=20.22 Rg=6.409 SPS=978
bl=4212 pos[1]=[-12.8 -11.8 -21.2] dr=1.32 t=44120.0ps kin=1.51 pot=20.22 Rg=6.396 SPS=760
bl=4213 pos[1]=[-13.3 -13.2 -20.0] dr=1.42 t=44130.0ps kin=1.46 pot=20.28 Rg=6.410 SPS=716
bl=4214 pos[1]=[-13.8 -13.7 -18.9] dr=1.35 t=44140.0ps kin=1.50 pot=20.25 Rg=6.456 SPS=687
bl=4215 pos[1]=[-14.3 -14.0 -18.5] dr=1.31 t=44150.0ps kin=1.51 pot=20.23 Rg=6.323 SPS=1131
bl=4216 pos[1]=[-15.5 -13.8 -18.6] dr=1.29 t=44160.0ps kin=1.50 pot=20.26 Rg=6.380 SPS=757
bl=4217 pos[1]=[-15.9 -14.5 -20.6] dr=1.31 t=44170.0ps kin=1.52 pot=20.20 Rg=6.396 SPS=837
bl=4218 pos[1]=[-15.9 -14.0 -21.8] dr=1.34 t=44180.0ps kin=1.50 pot=20.21 Rg=6.402 SPS=669
bl=4219 pos[1]=[-14.6 -14.5 -22.1] dr=1.31 t=44190.0ps kin=1.47 pot=20.21 Rg=6.387 SPS=898
bl=4220 pos[1]=[-12.0 -17.6 -25.0] dr=1.31 t=44200.0ps kin=1.46 pot=20.20 Rg=6.524 SPS=798
bl=4221 pos[1]=[-9.8 -20.2 -23.9] dr=1.29 t=44210.0ps kin=1.50 pot=20.21 Rg=6.536 SPS=1029
bl=4222 pos[1]=[-8.8 -20.9 -23.3] dr=1.30 t=44220.0ps kin=1.46 pot=20.17 Rg=6.526 SPS=1129
bl=4223 pos[1]=[-8.4 -18.5 -23.3] dr=1.33 t=44230.0ps kin=1.45 pot=20.23 Rg=6.630 SPS=1311
bl=4224 pos[1]=[-5.8 -18.7 -21.0] dr=1.32 t=44240.0ps kin=1.52 pot=20.23 Rg=6.633 SPS=1169
bl=4225 pos[1]=[-7.5 -18.1 -18.7] dr=1.30 t=44250.0ps kin=1.48 pot=20.25 Rg=6.516 SPS=1330
bl=4226 pos[1]=[-8.9 -16.6 -16.3] dr=1.34 t=44260.0ps kin=1.43 pot=20.19 Rg=6.427 SPS=1308
bl=4227 pos[1]=[-9.8 -18.7 -17.5] dr=1.32 t=44270.0ps kin=1.48 pot=20.22 Rg=6.412 SPS=1303
bl=4228 pos[1]=[-12.0 -13.3 -20.0] dr=1.31 t=44280.0ps kin=1.52 pot=20.23 Rg=6.416 SPS=1279
bl=4229 pos[1]=[-12.9 -14.8 -19.9] dr=1.32 t=44290.0ps kin=1.49 pot=20.23 Rg=6.456 SPS=1297
bl=4230 pos[1]=[-13.2 -15.2 -22.4] dr=1.34 t=44300.0ps kin=1.54 pot=20.17 Rg=6.419 SPS=1302
bl=4231 pos[1]=[-12.6 -15.5 -22.1] dr=1.40 t=44310.0ps kin=1.50 pot=20.20 Rg=6.403 SPS=1312
bl=4232 pos[1]=[-13.0 -17.6 -20.5] dr=1.32 t=44320.0ps kin=1.55 pot=20.24 Rg=6.401 SPS=1324
bl=4233 pos[1]=[-10.9 -16.6 -17.5] dr=1.40 t=44330.0ps kin=1.50 pot=20.20 Rg=6.424 SPS=1318
bl=4234 pos[1]=[-10.1 -16.5 -17.6] dr=1.34 t=44340.0ps kin=1.50 pot=20.22 Rg=6.435 SPS=1242
bl=4235 pos[1]=[-10.4 -16.2 -17.7] dr=1.31 t=44350.0ps kin=1.54 pot=20.23 Rg=6.392 SPS=889
bl=4236 pos[1]=[-10.9 -11.9 -18.4] dr=1.33 t=44360.0ps kin=1.50 pot=20.23 Rg=6.363 SPS=713
bl=4237 pos[1]=[-11.2 -12.2 -18.0] dr=1.31 t=44370.0ps kin=1.48 pot=20.21 Rg=6.404 SPS=960
bl=4238 pos[1]=[-10.7 -12.2 -18.5] dr=1.35 t=44380.0ps kin=1.58 pot=20.19 Rg=6.339 SPS=876
bl=4239 pos[1]=[-11.3 -11.9 -19.7] dr=1.36 t=44390.0ps kin=1.48 pot=20.18 Rg=6.322 SPS=983
bl=4240 pos[1]=[-12.6 -12.3 -21.0] dr=1.29 t=44400.0ps kin=1.46 pot=20.17 Rg=6.312 SPS=1183
bl=4241 pos[1]=[-12.2 -11.5 -20.9] dr=1.36 t=44410.0ps kin=1.46 pot=20.20 Rg=6.344 SPS=1156
bl=4242 pos[1]=[-11.9 -12.2 -19.8] dr=1.29 t=44420.0ps kin=1.49 pot=20.20 Rg=6.326 SPS=1301
bl=4243 pos[1]=[-12.0 -12.2 -19.5] dr=1.27 t=44430.0ps kin=1.51 pot=20.28 Rg=6.355 SPS=1281
bl=4244 pos[1]=[-12.2 -11.6 -17.9] dr=1.28 t=44440.0ps kin=1.56 pot=20.23 Rg=6.346 SPS=1032
bl=4245 pos[1]=[-11.6 -10.3 -19.9] dr=1.37 t=44450.0ps kin=1.56 pot=20.25 Rg=6.403 SPS=937
bl=4246 pos[1]=[-11.2 -11.6 -21.2] dr=1.38 t=44460.0ps kin=1.53 pot=20.24 Rg=6.414 SPS=818
bl=4247 pos[1]=[-11.9 -11.8 -21.1] dr=1.31 t=44470.0ps kin=1.51 pot=20.20 Rg=6.515 SPS=1115
bl=4248 pos[1]=[-10.6 -12.4 -18.9] dr=1.31 t=44480.0ps kin=1.47 pot=20.23 Rg=6.545 SPS=1314
bl=4249 pos[1]=[-9.4 -13.5 -22.0] dr=1.32 t=44490.0ps kin=1.44 pot=20.28 Rg=6.516 SPS=1235
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-16.58088253 -12.19818666 -13.31187463] Rg = 6.516257
median bond size is 0.9664063728416091
three shortest/longest (<10)/ bonds are [0.88386669 0.88632604 0.88881078] [1.08910697 1.09170517 1.09942983]
95 percentile of distance to center is: 9.096156539632165
density of closest 95% monomers is: 0.4086212127513704
density of the core monomers is: 0.6874291042437718
min/median/mean/max coordinates are:
x: -24.93, -16.43, -16.58, -8.19
y: -21.79, -12.14, -12.20, -4.32
z: -21.99, -13.27, -13.31, -4.75
Statistics for velocities:
mean kinetic energy is: 1.4393960628406999 should be: 1.5
fastest particles are (in kT): [5.80492031 6.04678727 6.49777423 8.02801937 9.03966067]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.28309365781711
bl=4250 pos[1]=[-10.5 -12.6 -18.2] dr=1.33 t=44500.0ps kin=1.51 pot=20.22 Rg=6.487 SPS=883
bl=4251 pos[1]=[-10.8 -13.4 -19.4] dr=1.35 t=44510.0ps kin=1.53 pot=20.19 Rg=6.494 SPS=1242
bl=4252 pos[1]=[-11.9 -13.9 -19.3] dr=1.34 t=44520.0ps kin=1.51 pot=20.20 Rg=6.491 SPS=944
bl=4253 pos[1]=[-12.5 -13.7 -19.8] dr=1.35 t=44530.0ps kin=1.50 pot=20.15 Rg=6.391 SPS=886
bl=4254 pos[1]=[-12.9 -14.4 -17.2] dr=1.35 t=44540.0ps kin=1.52 pot=20.18 Rg=6.393 SPS=1178
bl=4255 pos[1]=[-12.8 -13.8 -16.6] dr=1.35 t=44550.0ps kin=1.48 pot=20.24 Rg=6.436 SPS=1063
bl=4256 pos[1]=[-12.5 -13.3 -16.5] dr=1.38 t=44560.0ps kin=1.48 pot=20.24 Rg=6.518 SPS=725
bl=4257 pos[1]=[-13.6 -14.0 -15.5] dr=1.34 t=44570.0ps kin=1.50 pot=20.25 Rg=6.449 SPS=1309
bl=4258 pos[1]=[-12.7 -12.3 -15.2] dr=1.31 t=44580.0ps kin=1.51 pot=20.20 Rg=6.465 SPS=1131
bl=4259 pos[1]=[-13.6 -11.4 -15.8] dr=1.39 t=44590.0ps kin=1.53 pot=20.27 Rg=6.480 SPS=1300
bl=4260 pos[1]=[-13.0 -12.3 -15.1] dr=1.36 t=44600.0ps kin=1.52 pot=20.21 Rg=6.528 SPS=869
bl=4261 pos[1]=[-13.1 -12.3 -14.5] dr=1.34 t=44610.0ps kin=1.54 pot=20.20 Rg=6.385 SPS=770
bl=4262 pos[1]=[-13.4 -12.2 -16.0] dr=1.39 t=44620.0ps kin=1.57 pot=20.15 Rg=6.350 SPS=1245
bl=4263 pos[1]=[-14.4 -12.5 -16.6] dr=1.30 t=44630.0ps kin=1.53 pot=20.21 Rg=6.385 SPS=1298
bl=4264 pos[1]=[-14.1 -11.8 -17.0] dr=1.30 t=44640.0ps kin=1.53 pot=20.17 Rg=6.448 SPS=1268
bl=4265 pos[1]=[-14.4 -12.1 -16.7] dr=1.32 t=44650.0ps kin=1.49 pot=20.19 Rg=6.471 SPS=762
bl=4266 pos[1]=[-14.3 -12.8 -16.7] dr=1.31 t=44660.0ps kin=1.49 pot=20.20 Rg=6.465 SPS=810
bl=4267 pos[1]=[-15.6 -12.9 -16.9] dr=1.30 t=44670.0ps kin=1.47 pot=20.23 Rg=6.416 SPS=1221
bl=4268 pos[1]=[-14.5 -12.3 -15.9] dr=1.27 t=44680.0ps kin=1.47 pot=20.19 Rg=6.390 SPS=1206
bl=4269 pos[1]=[-15.2 -14.1 -15.8] dr=1.30 t=44690.0ps kin=1.53 pot=20.24 Rg=6.376 SPS=1235
bl=4270 pos[1]=[-14.2 -13.6 -16.1] dr=1.29 t=44700.0ps kin=1.51 pot=20.23 Rg=6.430 SPS=666
bl=4271 pos[1]=[-13.8 -15.3 -16.4] dr=1.33 t=44710.0ps kin=1.49 pot=20.19 Rg=6.373 SPS=750
bl=4272 pos[1]=[-14.1 -14.0 -15.0] dr=1.34 t=44720.0ps kin=1.47 pot=20.26 Rg=6.407 SPS=887
bl=4273 pos[1]=[-14.1 -13.7 -16.3] dr=1.30 t=44730.0ps kin=1.52 pot=20.25 Rg=6.383 SPS=939
bl=4274 pos[1]=[-14.0 -13.1 -17.0] dr=1.37 t=44740.0ps kin=1.45 pot=20.21 Rg=6.416 SPS=1189
bl=4275 pos[1]=[-14.2 -12.5 -16.3] dr=1.26 t=44750.0ps kin=1.44 pot=20.23 Rg=6.442 SPS=1312
bl=4276 pos[1]=[-13.8 -11.5 -17.2] dr=1.33 t=44760.0ps kin=1.46 pot=20.20 Rg=6.398 SPS=1337
bl=4277 pos[1]=[-14.0 -11.0 -16.3] dr=1.34 t=44770.0ps kin=1.48 pot=20.22 Rg=6.399 SPS=876
bl=4278 pos[1]=[-13.6 -10.9 -18.1] dr=1.36 t=44780.0ps kin=1.55 pot=20.20 Rg=6.380 SPS=761
bl=4279 pos[1]=[-13.9 -11.7 -18.8] dr=1.32 t=44790.0ps kin=1.53 pot=20.22 Rg=6.391 SPS=999
bl=4280 pos[1]=[-13.4 -11.3 -17.4] dr=1.36 t=44800.0ps kin=1.51 pot=20.18 Rg=6.431 SPS=735
bl=4281 pos[1]=[-13.8 -12.5 -17.5] dr=1.34 t=44810.0ps kin=1.50 pot=20.26 Rg=6.385 SPS=1307
bl=4282 pos[1]=[-15.2 -14.0 -16.3] dr=1.30 t=44820.0ps kin=1.49 pot=20.22 Rg=6.331 SPS=1312
bl=4283 pos[1]=[-14.3 -15.2 -16.1] dr=1.30 t=44830.0ps kin=1.50 pot=20.17 Rg=6.353 SPS=1316
bl=4284 pos[1]=[-13.2 -15.2 -16.4] dr=1.31 t=44840.0ps kin=1.52 pot=20.18 Rg=6.341 SPS=1319
bl=4285 pos[1]=[-13.0 -15.2 -17.6] dr=1.41 t=44850.0ps kin=1.45 pot=20.25 Rg=6.447 SPS=1350
bl=4286 pos[1]=[-12.3 -14.0 -17.9] dr=1.30 t=44860.0ps kin=1.44 pot=20.21 Rg=6.466 SPS=1155
bl=4287 pos[1]=[-12.0 -13.2 -17.6] dr=1.27 t=44870.0ps kin=1.47 pot=20.17 Rg=6.442 SPS=1110
bl=4288 pos[1]=[-12.1 -11.9 -17.0] dr=1.31 t=44880.0ps kin=1.49 pot=20.16 Rg=6.372 SPS=923
bl=4289 pos[1]=[-13.0 -12.9 -16.5] dr=1.31 t=44890.0ps kin=1.51 pot=20.19 Rg=6.384 SPS=750
bl=4290 pos[1]=[-13.3 -15.3 -15.9] dr=1.30 t=44900.0ps kin=1.51 pot=20.16 Rg=6.363 SPS=868
bl=4291 pos[1]=[-12.8 -15.4 -16.4] dr=1.37 t=44910.0ps kin=1.51 pot=20.17 Rg=6.345 SPS=1112
bl=4292 pos[1]=[-13.5 -16.0 -16.3] dr=1.36 t=44920.0ps kin=1.52 pot=20.18 Rg=6.331 SPS=1317
bl=4293 pos[1]=[-12.9 -16.9 -17.2] dr=1.31 t=44930.0ps kin=1.51 pot=20.17 Rg=6.327 SPS=1290
bl=4294 pos[1]=[-12.4 -16.1 -17.1] dr=1.27 t=44940.0ps kin=1.56 pot=20.20 Rg=6.302 SPS=1291
bl=4295 pos[1]=[-12.8 -15.1 -15.7] dr=1.30 t=44950.0ps kin=1.43 pot=20.19 Rg=6.345 SPS=1311
bl=4296 pos[1]=[-12.9 -14.5 -15.0] dr=1.28 t=44960.0ps kin=1.50 pot=20.19 Rg=6.383 SPS=1297
bl=4297 pos[1]=[-12.9 -15.8 -14.8] dr=1.33 t=44970.0ps kin=1.45 pot=20.24 Rg=6.433 SPS=1312
bl=4298 pos[1]=[-13.0 -16.2 -15.5] dr=1.29 t=44980.0ps kin=1.46 pot=20.19 Rg=6.414 SPS=1305
bl=4299 pos[1]=[-13.3 -14.4 -17.5] dr=1.37 t=44990.0ps kin=1.47 pot=20.25 Rg=6.383 SPS=1315
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.19511808 -11.81125157 -12.28824524] Rg = 6.383454
median bond size is 0.965041301346527
three shortest/longest (<10)/ bonds are [0.87584435 0.88195184 0.88293846] [1.07436489 1.08109353 1.09710326]
95 percentile of distance to center is: 9.081826006590326
density of closest 95% monomers is: 0.41055860000904887
density of the core monomers is: 0.6704991780213054
min/median/mean/max coordinates are:
x: -24.81, -15.15, -15.20, -6.62
y: -21.46, -11.80, -11.81, -2.98
z: -20.05, -12.29, -12.29, -3.60
Statistics for velocities:
mean kinetic energy is: 1.4763320752650626 should be: 1.5
fastest particles are (in kT): [ 6.75922641 7.37964587 7.68261798 8.03831927 12.74987162]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.246969487463126
bl=4300 pos[1]=[-13.1 -14.7 -16.8] dr=1.31 t=45000.0ps kin=1.53 pot=20.22 Rg=6.448 SPS=1324
bl=4301 pos[1]=[-14.8 -15.0 -16.8] dr=1.34 t=45010.0ps kin=1.56 pot=20.23 Rg=6.436 SPS=1318
bl=4302 pos[1]=[-15.0 -16.2 -18.9] dr=1.36 t=45020.0ps kin=1.54 pot=20.22 Rg=6.401 SPS=1315
bl=4303 pos[1]=[-14.2 -15.1 -19.0] dr=1.36 t=45030.0ps kin=1.57 pot=20.20 Rg=6.382 SPS=1315
bl=4304 pos[1]=[-13.6 -15.3 -16.9] dr=1.34 t=45040.0ps kin=1.44 pot=20.20 Rg=6.427 SPS=1265
bl=4305 pos[1]=[-13.8 -16.3 -17.1] dr=1.32 t=45050.0ps kin=1.44 pot=20.26 Rg=6.453 SPS=1316
bl=4306 pos[1]=[-13.3 -19.0 -18.7] dr=1.37 t=45060.0ps kin=1.52 pot=20.21 Rg=6.438 SPS=1324
bl=4307 pos[1]=[-11.4 -16.6 -19.0] dr=1.28 t=45070.0ps kin=1.53 pot=20.26 Rg=6.417 SPS=1330
bl=4308 pos[1]=[-11.8 -17.1 -17.3] dr=1.30 t=45080.0ps kin=1.46 pot=20.30 Rg=6.590 SPS=1338
bl=4309 pos[1]=[-11.1 -18.2 -15.1] dr=1.34 t=45090.0ps kin=1.54 pot=20.24 Rg=6.469 SPS=1344
bl=4310 pos[1]=[-13.0 -18.3 -15.7] dr=1.37 t=45100.0ps kin=1.48 pot=20.22 Rg=6.546 SPS=1324
bl=4311 pos[1]=[-14.3 -17.0 -17.3] dr=1.33 t=45110.0ps kin=1.49 pot=20.17 Rg=6.358 SPS=1108
bl=4312 pos[1]=[-10.2 -19.1 -19.6] dr=1.34 t=45120.0ps kin=1.52 pot=20.17 Rg=6.371 SPS=1221
bl=4313 pos[1]=[-10.2 -16.5 -17.4] dr=1.28 t=45130.0ps kin=1.48 pot=20.24 Rg=6.381 SPS=995
bl=4314 pos[1]=[-9.4 -16.4 -17.9] dr=1.27 t=45140.0ps kin=1.46 pot=20.29 Rg=6.438 SPS=870
bl=4315 pos[1]=[-10.9 -16.7 -17.6] dr=1.32 t=45150.0ps kin=1.48 pot=20.27 Rg=6.436 SPS=787
bl=4316 pos[1]=[-10.8 -18.8 -18.9] dr=1.32 t=45160.0ps kin=1.44 pot=20.23 Rg=6.405 SPS=841
bl=4317 pos[1]=[-11.0 -17.5 -18.8] dr=1.35 t=45170.0ps kin=1.46 pot=20.23 Rg=6.417 SPS=1087
bl=4318 pos[1]=[-11.4 -18.1 -17.0] dr=1.37 t=45180.0ps kin=1.45 pot=20.21 Rg=6.399 SPS=1016
bl=4319 pos[1]=[-11.8 -19.3 -16.0] dr=1.31 t=45190.0ps kin=1.51 pot=20.23 Rg=6.357 SPS=1090
bl=4320 pos[1]=[-12.5 -19.0 -17.0] dr=1.32 t=45200.0ps kin=1.52 pot=20.19 Rg=6.345 SPS=856
bl=4321 pos[1]=[-11.5 -18.8 -15.7] dr=1.32 t=45210.0ps kin=1.51 pot=20.20 Rg=6.401 SPS=784
bl=4322 pos[1]=[-10.0 -18.0 -15.0] dr=1.30 t=45220.0ps kin=1.48 pot=20.23 Rg=6.388 SPS=1177
bl=4323 pos[1]=[-10.0 -19.8 -15.8] dr=1.32 t=45230.0ps kin=1.45 pot=20.25 Rg=6.398 SPS=1328
bl=4324 pos[1]=[-10.5 -18.4 -16.0] dr=1.29 t=45240.0ps kin=1.51 pot=20.20 Rg=6.348 SPS=1313
bl=4325 pos[1]=[-10.3 -21.7 -16.4] dr=1.32 t=45250.0ps kin=1.56 pot=20.25 Rg=6.437 SPS=1298
bl=4326 pos[1]=[-12.5 -21.8 -18.3] dr=1.35 t=45260.0ps kin=1.42 pot=20.29 Rg=6.439 SPS=1337
bl=4327 pos[1]=[-12.2 -22.1 -16.7] dr=1.31 t=45270.0ps kin=1.54 pot=20.24 Rg=6.488 SPS=1285
bl=4328 pos[1]=[-10.7 -20.0 -16.7] dr=1.37 t=45280.0ps kin=1.59 pot=20.26 Rg=6.510 SPS=1315
bl=4329 pos[1]=[-12.0 -20.2 -18.5] dr=1.36 t=45290.0ps kin=1.53 pot=20.25 Rg=6.572 SPS=1329
bl=4330 pos[1]=[-11.8 -18.6 -19.2] dr=1.32 t=45300.0ps kin=1.51 pot=20.27 Rg=6.570 SPS=1309
bl=4331 pos[1]=[-10.5 -16.8 -19.4] dr=1.32 t=45310.0ps kin=1.51 pot=20.30 Rg=6.588 SPS=1326
bl=4332 pos[1]=[-12.7 -16.4 -21.1] dr=1.38 t=45320.0ps kin=1.51 pot=20.27 Rg=6.529 SPS=1316
bl=4333 pos[1]=[-15.1 -16.2 -20.1] dr=1.32 t=45330.0ps kin=1.57 pot=20.24 Rg=6.462 SPS=957
bl=4334 pos[1]=[-14.2 -18.4 -18.7] dr=1.30 t=45340.0ps kin=1.51 pot=20.20 Rg=6.397 SPS=743
bl=4335 pos[1]=[-11.9 -20.0 -19.7] dr=1.29 t=45350.0ps kin=1.54 pot=20.27 Rg=6.442 SPS=998
bl=4336 pos[1]=[-9.8 -19.7 -17.6] dr=1.34 t=45360.0ps kin=1.47 pot=20.23 Rg=6.375 SPS=885
bl=4337 pos[1]=[-10.0 -17.4 -16.6] dr=1.36 t=45370.0ps kin=1.52 pot=20.21 Rg=6.427 SPS=711
bl=4338 pos[1]=[-10.8 -19.0 -17.9] dr=1.30 t=45380.0ps kin=1.47 pot=20.20 Rg=6.450 SPS=1279
bl=4339 pos[1]=[-11.6 -16.4 -17.2] dr=1.33 t=45390.0ps kin=1.50 pot=20.22 Rg=6.431 SPS=1294
bl=4340 pos[1]=[-11.0 -16.4 -16.3] dr=1.28 t=45400.0ps kin=1.47 pot=20.22 Rg=6.445 SPS=1309
bl=4341 pos[1]=[-11.6 -17.7 -16.0] dr=1.33 t=45410.0ps kin=1.48 pot=20.24 Rg=6.408 SPS=1339
bl=4342 pos[1]=[-8.6 -18.8 -18.2] dr=1.30 t=45420.0ps kin=1.56 pot=20.21 Rg=6.456 SPS=1334
bl=4343 pos[1]=[-8.6 -19.0 -18.8] dr=1.35 t=45430.0ps kin=1.51 pot=20.27 Rg=6.503 SPS=1316
bl=4344 pos[1]=[-6.8 -19.3 -17.0] dr=1.28 t=45440.0ps kin=1.46 pot=20.35 Rg=6.541 SPS=1335
bl=4345 pos[1]=[-8.0 -21.1 -15.3] dr=1.35 t=45450.0ps kin=1.53 pot=20.29 Rg=6.444 SPS=1324
bl=4346 pos[1]=[-12.2 -22.4 -12.6] dr=1.39 t=45460.0ps kin=1.48 pot=20.31 Rg=6.555 SPS=1336
bl=4347 pos[1]=[-11.9 -21.6 -12.1] dr=1.39 t=45470.0ps kin=1.51 pot=20.21 Rg=6.574 SPS=1069
bl=4348 pos[1]=[-12.8 -21.4 -11.9] dr=1.36 t=45480.0ps kin=1.49 pot=20.20 Rg=6.454 SPS=1138
bl=4349 pos[1]=[-11.1 -20.3 -10.7] dr=1.35 t=45490.0ps kin=1.46 pot=20.28 Rg=6.481 SPS=1342
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-15.37332148 -12.81349946 -11.95517636] Rg = 6.481033
median bond size is 0.966097394692594
three shortest/longest (<10)/ bonds are [0.86629519 0.8914961 0.89332346] [1.07652748 1.07697336 1.09801928]
95 percentile of distance to center is: 9.018238435369499
density of closest 95% monomers is: 0.41930452085494585
density of the core monomers is: 0.6636797679606822
min/median/mean/max coordinates are:
x: -24.34, -15.42, -15.37, -7.33
y: -22.33, -12.71, -12.81, -3.51
z: -19.43, -11.80, -11.96, -4.61
Statistics for velocities:
mean kinetic energy is: 1.460998246456367 should be: 1.5
fastest particles are (in kT): [6.95385919 7.32331561 7.59369311 7.83914774 8.43495412]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.282092609236724
bl=4350 pos[1]=[-9.7 -19.2 -10.6] dr=1.35 t=45500.0ps kin=1.56 pot=20.27 Rg=6.463 SPS=1313
bl=4351 pos[1]=[-9.0 -20.6 -9.6] dr=1.39 t=45510.0ps kin=1.52 pot=20.23 Rg=6.485 SPS=1284
bl=4352 pos[1]=[-10.0 -20.8 -10.0] dr=1.33 t=45520.0ps kin=1.51 pot=20.32 Rg=6.560 SPS=1363
bl=4353 pos[1]=[-11.1 -22.2 -10.6] dr=1.34 t=45530.0ps kin=1.52 pot=20.32 Rg=6.533 SPS=1404
bl=4354 pos[1]=[-11.4 -22.0 -11.7] dr=1.39 t=45540.0ps kin=1.47 pot=20.26 Rg=6.539 SPS=1360
bl=4355 pos[1]=[-10.5 -22.3 -11.0] dr=1.34 t=45550.0ps kin=1.51 pot=20.25 Rg=6.459 SPS=1362
bl=4356 pos[1]=[-10.4 -23.8 -12.8] dr=1.34 t=45560.0ps kin=1.59 pot=20.25 Rg=6.497 SPS=1358
bl=4357 pos[1]=[-10.6 -25.6 -12.3] dr=1.36 t=45570.0ps kin=1.51 pot=20.31 Rg=6.512 SPS=1384
bl=4358 pos[1]=[-11.5 -23.6 -11.2] dr=1.36 t=45580.0ps kin=1.49 pot=20.30 Rg=6.464 SPS=1357
bl=4359 pos[1]=[-14.0 -23.2 -9.2] dr=1.31 t=45590.0ps kin=1.47 pot=20.23 Rg=6.405 SPS=1320
bl=4360 pos[1]=[-13.3 -23.7 -8.8] dr=1.32 t=45600.0ps kin=1.51 pot=20.18 Rg=6.451 SPS=1306
bl=4361 pos[1]=[-13.8 -25.2 -10.2] dr=1.36 t=45610.0ps kin=1.50 pot=20.25 Rg=6.442 SPS=1318
bl=4362 pos[1]=[-13.5 -22.8 -9.3] dr=1.35 t=45620.0ps kin=1.49 pot=20.26 Rg=6.484 SPS=1278
bl=4363 pos[1]=[-15.6 -24.7 -11.7] dr=1.36 t=45630.0ps kin=1.48 pot=20.28 Rg=6.526 SPS=1292
bl=4364 pos[1]=[-16.6 -25.6 -9.2] dr=1.38 t=45640.0ps kin=1.54 pot=20.26 Rg=6.507 SPS=1335
bl=4365 pos[1]=[-12.8 -22.8 -7.5] dr=1.33 t=45650.0ps kin=1.51 pot=20.28 Rg=6.555 SPS=1301
bl=4366 pos[1]=[-13.6 -21.1 -8.7] dr=1.38 t=45660.0ps kin=1.48 pot=20.26 Rg=6.517 SPS=1380
bl=4367 pos[1]=[-13.2 -21.3 -8.0] dr=1.33 t=45670.0ps kin=1.49 pot=20.23 Rg=6.465 SPS=1311
bl=4368 pos[1]=[-14.3 -19.8 -8.4] dr=1.37 t=45680.0ps kin=1.49 pot=20.26 Rg=6.409 SPS=1305
bl=4369 pos[1]=[-14.7 -19.7 -6.4] dr=1.37 t=45690.0ps kin=1.50 pot=20.22 Rg=6.398 SPS=1321
bl=4370 pos[1]=[-17.5 -20.9 -6.5] dr=1.28 t=45700.0ps kin=1.50 pot=20.19 Rg=6.418 SPS=1302
bl=4371 pos[1]=[-16.4 -22.7 -6.3] dr=1.32 t=45710.0ps kin=1.49 pot=20.18 Rg=6.355 SPS=1306
bl=4372 pos[1]=[-13.8 -24.4 -8.4] dr=1.33 t=45720.0ps kin=1.48 pot=20.21 Rg=6.409 SPS=1327
bl=4373 pos[1]=[-14.4 -24.6 -9.9] dr=1.38 t=45730.0ps kin=1.49 pot=20.16 Rg=6.419 SPS=1324
bl=4374 pos[1]=[-15.5 -22.1 -10.0] dr=1.35 t=45740.0ps kin=1.50 pot=20.23 Rg=6.524 SPS=1316
bl=4375 pos[1]=[-15.8 -21.7 -7.7] dr=1.36 t=45750.0ps kin=1.50 pot=20.28 Rg=6.562 SPS=1341
bl=4376 pos[1]=[-16.4 -22.0 -7.0] dr=1.40 t=45760.0ps kin=1.54 pot=20.28 Rg=6.490 SPS=1376
bl=4377 pos[1]=[-14.2 -21.8 -6.6] dr=1.28 t=45770.0ps kin=1.49 pot=20.25 Rg=6.574 SPS=1380
bl=4378 pos[1]=[-15.8 -22.4 -7.3] dr=1.31 t=45780.0ps kin=1.51 pot=20.23 Rg=6.543 SPS=1384
bl=4379 pos[1]=[-13.1 -20.5 -7.9] dr=1.35 t=45790.0ps kin=1.52 pot=20.21 Rg=6.567 SPS=1383
bl=4380 pos[1]=[-14.0 -19.8 -6.9] dr=1.36 t=45800.0ps kin=1.44 pot=20.26 Rg=6.571 SPS=1387
bl=4381 pos[1]=[-16.3 -18.2 -6.0] dr=1.35 t=45810.0ps kin=1.46 pot=20.24 Rg=6.480 SPS=1353
bl=4382 pos[1]=[-15.7 -17.9 -6.8] dr=1.30 t=45820.0ps kin=1.49 pot=20.18 Rg=6.442 SPS=1319
bl=4383 pos[1]=[-17.3 -19.4 -7.3] dr=1.34 t=45830.0ps kin=1.48 pot=20.23 Rg=6.433 SPS=1311
bl=4384 pos[1]=[-17.5 -18.3 -10.4] dr=1.38 t=45840.0ps kin=1.51 pot=20.19 Rg=6.416 SPS=1328
bl=4385 pos[1]=[-18.8 -19.6 -8.7] dr=1.28 t=45850.0ps kin=1.48 pot=20.20 Rg=6.384 SPS=1319
bl=4386 pos[1]=[-17.8 -18.6 -8.0] dr=1.31 t=45860.0ps kin=1.49 pot=20.20 Rg=6.296 SPS=1309
bl=4387 pos[1]=[-15.3 -16.8 -4.6] dr=1.32 t=45870.0ps kin=1.47 pot=20.21 Rg=6.329 SPS=1306
bl=4388 pos[1]=[-15.7 -17.7 -4.5] dr=1.30 t=45880.0ps kin=1.54 pot=20.19 Rg=6.357 SPS=1313
bl=4389 pos[1]=[-16.2 -18.6 -4.7] dr=1.30 t=45890.0ps kin=1.50 pot=20.23 Rg=6.361 SPS=1324
bl=4390 pos[1]=[-16.3 -19.0 -7.2] dr=1.30 t=45900.0ps kin=1.50 pot=20.24 Rg=6.430 SPS=1215
bl=4391 pos[1]=[-15.9 -17.4 -6.0] dr=1.40 t=45910.0ps kin=1.53 pot=20.24 Rg=6.404 SPS=1348
bl=4392 pos[1]=[-17.8 -17.7 -5.5] dr=1.33 t=45920.0ps kin=1.45 pot=20.22 Rg=6.433 SPS=1363
bl=4393 pos[1]=[-18.6 -17.5 -4.2] dr=1.29 t=45930.0ps kin=1.45 pot=20.23 Rg=6.403 SPS=1347
bl=4394 pos[1]=[-18.1 -16.6 -4.6] dr=1.34 t=45940.0ps kin=1.56 pot=20.24 Rg=6.452 SPS=1323
bl=4395 pos[1]=[-17.2 -17.2 -4.7] dr=1.30 t=45950.0ps kin=1.52 pot=20.28 Rg=6.466 SPS=1352
bl=4396 pos[1]=[-17.5 -17.4 -5.9] dr=1.27 t=45960.0ps kin=1.47 pot=20.25 Rg=6.365 SPS=1324
bl=4397 pos[1]=[-17.2 -19.1 -6.6] dr=1.34 t=45970.0ps kin=1.50 pot=20.19 Rg=6.333 SPS=1314
bl=4398 pos[1]=[-19.2 -19.3 -7.5] dr=1.31 t=45980.0ps kin=1.49 pot=20.24 Rg=6.390 SPS=1317
bl=4399 pos[1]=[-19.0 -16.8 -8.9] dr=1.36 t=45990.0ps kin=1.55 pot=20.22 Rg=6.347 SPS=1373
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.66081588 -14.91376687 -12.34868959] Rg = 6.3465667
median bond size is 0.9667482814990003
three shortest/longest (<10)/ bonds are [0.88447849 0.88848899 0.89052166] [1.07280899 1.0745984 1.07621538]
95 percentile of distance to center is: 8.685250143886606
density of closest 95% monomers is: 0.46940497944710485
density of the core monomers is: 0.6874133821806766
min/median/mean/max coordinates are:
x: -23.96, -14.70, -14.66, -6.19
y: -24.17, -14.90, -14.91, -6.48
z: -22.08, -12.36, -12.35, -2.61
Statistics for velocities:
mean kinetic energy is: 1.5528912613514498 should be: 1.5
fastest particles are (in kT): [6.86847926 6.94945265 7.17782364 7.53934827 9.86256866]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.22490608867994
bl=4400 pos[1]=[-19.5 -15.3 -9.2] dr=1.35 t=46000.0ps kin=1.45 pot=20.23 Rg=6.339 SPS=1310
bl=4401 pos[1]=[-17.9 -15.8 -9.7] dr=1.33 t=46010.0ps kin=1.49 pot=20.18 Rg=6.335 SPS=1203
bl=4402 pos[1]=[-19.3 -17.3 -9.4] dr=1.34 t=46020.0ps kin=1.47 pot=20.27 Rg=6.373 SPS=647
bl=4403 pos[1]=[-17.9 -16.7 -9.6] dr=1.32 t=46030.0ps kin=1.57 pot=20.15 Rg=6.376 SPS=696
bl=4404 pos[1]=[-19.1 -17.5 -9.8] dr=1.29 t=46040.0ps kin=1.45 pot=20.18 Rg=6.353 SPS=990
bl=4405 pos[1]=[-20.2 -17.3 -9.6] dr=1.35 t=46050.0ps kin=1.43 pot=20.26 Rg=6.488 SPS=1102
bl=4406 pos[1]=[-19.1 -20.1 -8.5] dr=1.30 t=46060.0ps kin=1.51 pot=20.25 Rg=6.525 SPS=985
bl=4407 pos[1]=[-17.6 -21.4 -9.4] dr=1.30 t=46070.0ps kin=1.51 pot=20.21 Rg=6.479 SPS=1269
bl=4408 pos[1]=[-17.3 -22.8 -11.1] dr=1.32 t=46080.0ps kin=1.52 pot=20.24 Rg=6.440 SPS=1283
bl=4409 pos[1]=[-15.6 -21.5 -9.9] dr=1.28 t=46090.0ps kin=1.48 pot=20.21 Rg=6.407 SPS=1218
bl=4410 pos[1]=[-17.3 -23.2 -11.2] dr=1.33 t=46100.0ps kin=1.49 pot=20.17 Rg=6.350 SPS=1015
bl=4411 pos[1]=[-18.3 -21.9 -12.9] dr=1.31 t=46110.0ps kin=1.47 pot=20.15 Rg=6.320 SPS=720
bl=4412 pos[1]=[-16.6 -23.7 -10.4] dr=1.34 t=46120.0ps kin=1.51 pot=20.19 Rg=6.396 SPS=1161
bl=4413 pos[1]=[-16.9 -23.9 -12.5] dr=1.30 t=46130.0ps kin=1.48 pot=20.28 Rg=6.379 SPS=1169
bl=4414 pos[1]=[-18.8 -21.6 -11.0] dr=1.31 t=46140.0ps kin=1.52 pot=20.23 Rg=6.360 SPS=869
bl=4415 pos[1]=[-16.1 -23.0 -12.6] dr=1.33 t=46150.0ps kin=1.46 pot=20.28 Rg=6.341 SPS=725
bl=4416 pos[1]=[-15.3 -22.9 -12.0] dr=1.32 t=46160.0ps kin=1.53 pot=20.31 Rg=6.453 SPS=733
bl=4417 pos[1]=[-16.1 -23.3 -13.7] dr=1.38 t=46170.0ps kin=1.46 pot=20.27 Rg=6.456 SPS=803
bl=4418 pos[1]=[-18.4 -22.4 -14.8] dr=1.39 t=46180.0ps kin=1.48 pot=20.21 Rg=6.407 SPS=751
bl=4419 pos[1]=[-18.5 -22.3 -15.4] dr=1.35 t=46190.0ps kin=1.48 pot=20.26 Rg=6.403 SPS=1195
bl=4420 pos[1]=[-19.5 -22.1 -15.3] dr=1.30 t=46200.0ps kin=1.53 pot=20.17 Rg=6.450 SPS=1307
bl=4421 pos[1]=[-20.8 -20.9 -14.5] dr=1.36 t=46210.0ps kin=1.57 pot=20.26 Rg=6.469 SPS=1334
bl=4422 pos[1]=[-22.4 -19.7 -13.9] dr=1.37 t=46220.0ps kin=1.56 pot=20.24 Rg=6.452 SPS=1322
bl=4423 pos[1]=[-22.0 -19.8 -13.9] dr=1.36 t=46230.0ps kin=1.49 pot=20.27 Rg=6.492 SPS=1186
bl=4424 pos[1]=[-23.1 -18.5 -11.6] dr=1.38 t=46240.0ps kin=1.57 pot=20.21 Rg=6.478 SPS=780
bl=4425 pos[1]=[-22.6 -18.2 -11.9] dr=1.30 t=46250.0ps kin=1.51 pot=20.25 Rg=6.452 SPS=957
bl=4426 pos[1]=[-22.7 -17.7 -12.3] dr=1.36 t=46260.0ps kin=1.53 pot=20.20 Rg=6.556 SPS=711
bl=4427 pos[1]=[-24.2 -17.4 -13.5] dr=1.38 t=46270.0ps kin=1.53 pot=20.20 Rg=6.437 SPS=1218
bl=4428 pos[1]=[-24.1 -16.2 -17.3] dr=1.34 t=46280.0ps kin=1.52 pot=20.21 Rg=6.400 SPS=854
bl=4429 pos[1]=[-23.5 -15.9 -16.2] dr=1.36 t=46290.0ps kin=1.58 pot=20.20 Rg=6.357 SPS=1185
bl=4430 pos[1]=[-23.3 -15.7 -15.2] dr=1.38 t=46300.0ps kin=1.49 pot=20.23 Rg=6.441 SPS=1119
bl=4431 pos[1]=[-22.6 -15.4 -15.7] dr=1.37 t=46310.0ps kin=1.50 pot=20.23 Rg=6.489 SPS=792
bl=4432 pos[1]=[-22.0 -16.1 -14.7] dr=1.32 t=46320.0ps kin=1.52 pot=20.25 Rg=6.428 SPS=803
bl=4433 pos[1]=[-24.5 -16.6 -16.0] dr=1.31 t=46330.0ps kin=1.49 pot=20.21 Rg=6.474 SPS=1279
bl=4434 pos[1]=[-23.0 -16.4 -17.9] dr=1.27 t=46340.0ps kin=1.48 pot=20.23 Rg=6.432 SPS=900
bl=4435 pos[1]=[-21.2 -18.8 -16.4] dr=1.41 t=46350.0ps kin=1.58 pot=20.21 Rg=6.457 SPS=764
bl=4436 pos[1]=[-21.2 -18.1 -17.7] dr=1.33 t=46360.0ps kin=1.48 pot=20.26 Rg=6.425 SPS=800
bl=4437 pos[1]=[-21.9 -17.2 -17.0] dr=1.35 t=46370.0ps kin=1.50 pot=20.27 Rg=6.468 SPS=691
bl=4438 pos[1]=[-19.1 -19.9 -14.3] dr=1.38 t=46380.0ps kin=1.53 pot=20.23 Rg=6.517 SPS=1169
bl=4439 pos[1]=[-19.7 -20.1 -13.2] dr=1.35 t=46390.0ps kin=1.45 pot=20.24 Rg=6.518 SPS=914
bl=4440 pos[1]=[-19.2 -18.7 -13.8] dr=1.35 t=46400.0ps kin=1.50 pot=20.24 Rg=6.540 SPS=909
bl=4441 pos[1]=[-21.6 -17.6 -11.4] dr=1.38 t=46410.0ps kin=1.55 pot=20.27 Rg=6.553 SPS=1001
bl=4442 pos[1]=[-20.8 -16.8 -11.8] dr=1.33 t=46420.0ps kin=1.51 pot=20.29 Rg=6.570 SPS=1127
bl=4443 pos[1]=[-21.1 -19.3 -14.1] dr=1.39 t=46430.0ps kin=1.52 pot=20.24 Rg=6.587 SPS=1332
bl=4444 pos[1]=[-20.3 -20.6 -16.2] dr=1.40 t=46440.0ps kin=1.54 pot=20.28 Rg=6.575 SPS=1205
bl=4445 pos[1]=[-23.2 -20.6 -16.4] dr=1.31 t=46450.0ps kin=1.49 pot=20.30 Rg=6.565 SPS=1075
bl=4446 pos[1]=[-22.5 -19.6 -17.1] dr=1.34 t=46460.0ps kin=1.55 pot=20.26 Rg=6.481 SPS=795
bl=4447 pos[1]=[-21.1 -18.1 -16.7] dr=1.37 t=46470.0ps kin=1.48 pot=20.33 Rg=6.503 SPS=1148
bl=4448 pos[1]=[-19.2 -19.1 -16.7] dr=1.34 t=46480.0ps kin=1.57 pot=20.23 Rg=6.507 SPS=1163
bl=4449 pos[1]=[-18.0 -19.3 -14.8] dr=1.32 t=46490.0ps kin=1.51 pot=20.28 Rg=6.487 SPS=1006
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-13.41332957 -15.17436796 -12.92088234] Rg = 6.4868464
median bond size is 0.9667068652545389
three shortest/longest (<10)/ bonds are [0.88653642 0.89143896 0.89288378] [1.08348644 1.0934968 1.10843922]
95 percentile of distance to center is: 9.057308078834858
density of closest 95% monomers is: 0.4139017520203334
density of the core monomers is: 0.6722596843958147
min/median/mean/max coordinates are:
x: -22.95, -13.39, -13.41, -3.72
y: -23.76, -15.22, -15.17, -5.67
z: -22.43, -12.74, -12.92, -5.05
Statistics for velocities:
mean kinetic energy is: 1.5176917370998106 should be: 1.5
fastest particles are (in kT): [ 6.69592406 6.73983253 7.17402727 7.44427289 10.01692712]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.28155391546829
bl=4450 pos[1]=[-20.3 -18.1 -15.7] dr=1.32 t=46500.0ps kin=1.48 pot=20.19 Rg=6.483 SPS=883
bl=4451 pos[1]=[-20.4 -16.7 -16.4] dr=1.33 t=46510.0ps kin=1.51 pot=20.19 Rg=6.485 SPS=848
bl=4452 pos[1]=[-19.8 -19.7 -16.4] dr=1.35 t=46520.0ps kin=1.43 pot=20.21 Rg=6.458 SPS=964
bl=4453 pos[1]=[-18.6 -21.7 -15.4] dr=1.37 t=46530.0ps kin=1.51 pot=20.25 Rg=6.449 SPS=1275
bl=4454 pos[1]=[-16.7 -22.2 -14.1] dr=1.34 t=46540.0ps kin=1.46 pot=20.22 Rg=6.470 SPS=1337
bl=4455 pos[1]=[-17.6 -24.7 -13.3] dr=1.42 t=46550.0ps kin=1.51 pot=20.17 Rg=6.491 SPS=832
bl=4456 pos[1]=[-18.4 -22.3 -14.6] dr=1.32 t=46560.0ps kin=1.49 pot=20.14 Rg=6.479 SPS=725
bl=4457 pos[1]=[-19.4 -22.3 -13.1] dr=1.28 t=46570.0ps kin=1.47 pot=20.19 Rg=6.454 SPS=1086
bl=4458 pos[1]=[-19.4 -20.8 -13.3] dr=1.29 t=46580.0ps kin=1.51 pot=20.22 Rg=6.488 SPS=942
bl=4459 pos[1]=[-18.8 -21.5 -12.3] dr=1.26 t=46590.0ps kin=1.48 pot=20.21 Rg=6.504 SPS=1111
bl=4460 pos[1]=[-20.1 -23.3 -10.8] dr=1.31 t=46600.0ps kin=1.48 pot=20.23 Rg=6.611 SPS=1275
bl=4461 pos[1]=[-19.0 -23.8 -9.1] dr=1.31 t=46610.0ps kin=1.47 pot=20.27 Rg=6.540 SPS=995
bl=4462 pos[1]=[-17.2 -23.0 -9.0] dr=1.33 t=46620.0ps kin=1.48 pot=20.23 Rg=6.459 SPS=758
bl=4463 pos[1]=[-15.8 -22.9 -8.5] dr=1.33 t=46630.0ps kin=1.50 pot=20.20 Rg=6.442 SPS=1123
bl=4464 pos[1]=[-15.1 -21.1 -6.6] dr=1.33 t=46640.0ps kin=1.49 pot=20.20 Rg=6.521 SPS=1070
bl=4465 pos[1]=[-16.7 -18.8 -5.0] dr=1.29 t=46650.0ps kin=1.47 pot=20.22 Rg=6.476 SPS=1299
bl=4466 pos[1]=[-16.8 -19.0 -6.8] dr=1.31 t=46660.0ps kin=1.51 pot=20.21 Rg=6.496 SPS=1304
bl=4467 pos[1]=[-19.2 -24.3 -7.9] dr=1.39 t=46670.0ps kin=1.47 pot=20.25 Rg=6.509 SPS=732
bl=4468 pos[1]=[-18.8 -22.6 -11.2] dr=1.32 t=46680.0ps kin=1.47 pot=20.31 Rg=6.546 SPS=985
bl=4469 pos[1]=[-19.8 -23.6 -10.4] dr=1.28 t=46690.0ps kin=1.50 pot=20.21 Rg=6.521 SPS=824
bl=4470 pos[1]=[-18.5 -22.0 -11.2] dr=1.36 t=46700.0ps kin=1.48 pot=20.23 Rg=6.505 SPS=1276
bl=4471 pos[1]=[-19.4 -23.1 -10.8] dr=1.31 t=46710.0ps kin=1.53 pot=20.21 Rg=6.560 SPS=682
bl=4472 pos[1]=[-18.6 -23.5 -9.4] dr=1.34 t=46720.0ps kin=1.48 pot=20.31 Rg=6.569 SPS=896
bl=4473 pos[1]=[-21.2 -21.6 -11.2] dr=1.34 t=46730.0ps kin=1.54 pot=20.26 Rg=6.598 SPS=792
bl=4474 pos[1]=[-22.1 -20.6 -11.5] dr=1.35 t=46740.0ps kin=1.53 pot=20.23 Rg=6.560 SPS=871
bl=4475 pos[1]=[-22.4 -22.2 -11.8] dr=1.40 t=46750.0ps kin=1.55 pot=20.27 Rg=6.533 SPS=1004
bl=4476 pos[1]=[-23.0 -23.5 -10.2] dr=1.38 t=46760.0ps kin=1.50 pot=20.21 Rg=6.619 SPS=1200
bl=4477 pos[1]=[-22.0 -24.1 -11.2] dr=1.40 t=46770.0ps kin=1.48 pot=20.23 Rg=6.525 SPS=988
bl=4478 pos[1]=[-21.3 -21.1 -12.7] dr=1.27 t=46780.0ps kin=1.49 pot=20.29 Rg=6.559 SPS=970
bl=4479 pos[1]=[-23.3 -20.9 -12.6] dr=1.34 t=46790.0ps kin=1.53 pot=20.22 Rg=6.655 SPS=833
bl=4480 pos[1]=[-25.0 -19.4 -12.7] dr=1.38 t=46800.0ps kin=1.49 pot=20.24 Rg=6.715 SPS=1084
bl=4481 pos[1]=[-21.0 -18.7 -14.2] dr=1.36 t=46810.0ps kin=1.48 pot=20.31 Rg=6.680 SPS=985
bl=4482 pos[1]=[-20.8 -18.7 -14.5] dr=1.34 t=46820.0ps kin=1.47 pot=20.26 Rg=6.618 SPS=778
bl=4483 pos[1]=[-20.1 -18.6 -14.6] dr=1.34 t=46830.0ps kin=1.56 pot=20.28 Rg=6.585 SPS=963
bl=4484 pos[1]=[-19.5 -20.6 -15.0] dr=1.33 t=46840.0ps kin=1.51 pot=20.25 Rg=6.536 SPS=1159
bl=4485 pos[1]=[-20.0 -21.6 -14.1] dr=1.35 t=46850.0ps kin=1.49 pot=20.22 Rg=6.517 SPS=1279
bl=4486 pos[1]=[-20.2 -20.6 -14.9] dr=1.30 t=46860.0ps kin=1.52 pot=20.16 Rg=6.483 SPS=1031
bl=4487 pos[1]=[-22.1 -21.0 -15.6] dr=1.31 t=46870.0ps kin=1.55 pot=20.18 Rg=6.504 SPS=1106
bl=4488 pos[1]=[-22.2 -20.1 -15.5] dr=1.34 t=46880.0ps kin=1.49 pot=20.21 Rg=6.539 SPS=1029
bl=4489 pos[1]=[-22.2 -21.1 -16.1] dr=1.36 t=46890.0ps kin=1.54 pot=20.22 Rg=6.591 SPS=1167
bl=4490 pos[1]=[-23.2 -19.3 -17.3] dr=1.33 t=46900.0ps kin=1.47 pot=20.17 Rg=6.603 SPS=848
bl=4491 pos[1]=[-22.3 -17.8 -13.9] dr=1.37 t=46910.0ps kin=1.50 pot=20.23 Rg=6.628 SPS=911
bl=4492 pos[1]=[-22.0 -18.1 -15.8] dr=1.37 t=46920.0ps kin=1.49 pot=20.18 Rg=6.587 SPS=1102
bl=4493 pos[1]=[-20.1 -20.0 -17.1] dr=1.33 t=46930.0ps kin=1.50 pot=20.28 Rg=6.631 SPS=1176
bl=4494 pos[1]=[-20.9 -19.3 -16.7] dr=1.36 t=46940.0ps kin=1.50 pot=20.23 Rg=6.584 SPS=1055
bl=4495 pos[1]=[-22.1 -17.6 -13.8] dr=1.39 t=46950.0ps kin=1.48 pot=20.20 Rg=6.569 SPS=1300
bl=4496 pos[1]=[-23.2 -19.4 -14.6] dr=1.32 t=46960.0ps kin=1.51 pot=20.23 Rg=6.540 SPS=971
bl=4497 pos[1]=[-23.6 -19.9 -12.2] dr=1.35 t=46970.0ps kin=1.53 pot=20.15 Rg=6.464 SPS=985
bl=4498 pos[1]=[-23.9 -20.6 -11.8] dr=1.32 t=46980.0ps kin=1.54 pot=20.23 Rg=6.522 SPS=754
bl=4499 pos[1]=[-22.3 -22.3 -14.1] dr=1.35 t=46990.0ps kin=1.50 pot=20.20 Rg=6.584 SPS=907
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-14.16315657 -15.0291819 -12.0779911 ] Rg = 6.583606
median bond size is 0.965813344781847
three shortest/longest (<10)/ bonds are [0.88111306 0.88143381 0.88837272] [1.07184271 1.0720175 1.11110279]
95 percentile of distance to center is: 9.438064835761114
density of closest 95% monomers is: 0.36580178146635206
density of the core monomers is: 0.7306962412056169
min/median/mean/max coordinates are:
x: -23.72, -14.05, -14.16, -4.20
y: -23.81, -15.16, -15.03, -6.75
z: -21.42, -12.03, -12.08, -4.33
Statistics for velocities:
mean kinetic energy is: 1.4965659619984901 should be: 1.5
fastest particles are (in kT): [6.71597571 7.12335599 7.42598415 7.45828411 8.28362591]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.197918107024336
bl=4500 pos[1]=[-21.0 -23.1 -12.1] dr=1.30 t=47000.0ps kin=1.48 pot=20.22 Rg=6.615 SPS=776
bl=4501 pos[1]=[-21.9 -21.1 -13.7] dr=1.37 t=47010.0ps kin=1.44 pot=20.23 Rg=6.579 SPS=983
bl=4502 pos[1]=[-20.4 -18.8 -15.1] dr=1.28 t=47020.0ps kin=1.53 pot=20.20 Rg=6.531 SPS=994
bl=4503 pos[1]=[-18.8 -20.2 -15.1] dr=1.35 t=47030.0ps kin=1.48 pot=20.20 Rg=6.559 SPS=897
bl=4504 pos[1]=[-19.0 -20.0 -14.5] dr=1.35 t=47040.0ps kin=1.49 pot=20.25 Rg=6.512 SPS=936
bl=4505 pos[1]=[-18.6 -19.2 -13.2] dr=1.29 t=47050.0ps kin=1.52 pot=20.25 Rg=6.576 SPS=787
bl=4506 pos[1]=[-19.1 -20.3 -14.5] dr=1.30 t=47060.0ps kin=1.50 pot=20.24 Rg=6.638 SPS=722
bl=4507 pos[1]=[-19.2 -19.2 -15.4] dr=1.39 t=47070.0ps kin=1.48 pot=20.17 Rg=6.511 SPS=743
bl=4508 pos[1]=[-19.7 -17.6 -16.9] dr=1.32 t=47080.0ps kin=1.46 pot=20.18 Rg=6.499 SPS=823
bl=4509 pos[1]=[-19.6 -17.2 -17.0] dr=1.31 t=47090.0ps kin=1.46 pot=20.20 Rg=6.523 SPS=740
bl=4510 pos[1]=[-20.6 -16.2 -17.9] dr=1.36 t=47100.0ps kin=1.54 pot=20.20 Rg=6.482 SPS=720
bl=4511 pos[1]=[-19.0 -16.3 -19.1] dr=1.33 t=47110.0ps kin=1.49 pot=20.26 Rg=6.549 SPS=1055
bl=4512 pos[1]=[-18.3 -16.0 -20.2] dr=1.32 t=47120.0ps kin=1.49 pot=20.15 Rg=6.501 SPS=900
bl=4513 pos[1]=[-16.9 -19.5 -19.4] dr=1.33 t=47130.0ps kin=1.45 pot=20.22 Rg=6.588 SPS=1160
bl=4514 pos[1]=[-19.7 -20.8 -20.4] dr=1.32 t=47140.0ps kin=1.49 pot=20.27 Rg=6.623 SPS=1325
bl=4515 pos[1]=[-16.8 -21.9 -19.2] dr=1.31 t=47150.0ps kin=1.53 pot=20.18 Rg=6.609 SPS=1327
bl=4516 pos[1]=[-19.7 -22.6 -18.8] dr=1.31 t=47160.0ps kin=1.49 pot=20.20 Rg=6.622 SPS=1332
bl=4517 pos[1]=[-19.1 -19.5 -18.7] dr=1.35 t=47170.0ps kin=1.53 pot=20.25 Rg=6.573 SPS=1326
bl=4518 pos[1]=[-21.2 -19.2 -19.4] dr=1.38 t=47180.0ps kin=1.53 pot=20.21 Rg=6.537 SPS=1303
bl=4519 pos[1]=[-22.9 -17.1 -16.4] dr=1.40 t=47190.0ps kin=1.49 pot=20.25 Rg=6.501 SPS=1142
bl=4520 pos[1]=[-22.4 -19.7 -14.3] dr=1.29 t=47200.0ps kin=1.50 pot=20.14 Rg=6.500 SPS=912
bl=4521 pos[1]=[-22.0 -18.4 -12.1] dr=1.29 t=47210.0ps kin=1.54 pot=20.15 Rg=6.473 SPS=927
bl=4522 pos[1]=[-21.2 -18.2 -12.5] dr=1.35 t=47220.0ps kin=1.54 pot=20.18 Rg=6.460 SPS=684
bl=4523 pos[1]=[-22.6 -17.8 -14.2] dr=1.38 t=47230.0ps kin=1.53 pot=20.24 Rg=6.495 SPS=1136
bl=4524 pos[1]=[-24.4 -18.8 -12.9] dr=1.36 t=47240.0ps kin=1.52 pot=20.25 Rg=6.437 SPS=972
bl=4525 pos[1]=[-22.9 -17.5 -10.3] dr=1.32 t=47250.0ps kin=1.50 pot=20.22 Rg=6.450 SPS=766
bl=4526 pos[1]=[-22.5 -18.8 -10.7] dr=1.33 t=47260.0ps kin=1.49 pot=20.23 Rg=6.457 SPS=1250
bl=4527 pos[1]=[-22.6 -17.4 -12.0] dr=1.36 t=47270.0ps kin=1.50 pot=20.24 Rg=6.453 SPS=767
bl=4528 pos[1]=[-23.9 -15.6 -12.6] dr=1.30 t=47280.0ps kin=1.44 pot=20.23 Rg=6.487 SPS=1036
bl=4529 pos[1]=[-27.1 -16.7 -14.0] dr=1.32 t=47290.0ps kin=1.53 pot=20.23 Rg=6.458 SPS=1227
bl=4530 pos[1]=[-23.3 -16.9 -11.9] dr=1.28 t=47300.0ps kin=1.49 pot=20.29 Rg=6.471 SPS=1146
bl=4531 pos[1]=[-25.6 -18.5 -13.0] dr=1.35 t=47310.0ps kin=1.49 pot=20.26 Rg=6.416 SPS=924
bl=4532 pos[1]=[-26.3 -19.3 -11.2] dr=1.29 t=47320.0ps kin=1.51 pot=20.27 Rg=6.444 SPS=803
bl=4533 pos[1]=[-25.1 -19.0 -10.0] dr=1.39 t=47330.0ps kin=1.55 pot=20.26 Rg=6.438 SPS=1219
bl=4534 pos[1]=[-23.3 -19.1 -11.2] dr=1.35 t=47340.0ps kin=1.50 pot=20.36 Rg=6.440 SPS=1186
bl=4535 pos[1]=[-21.6 -19.2 -11.6] dr=1.35 t=47350.0ps kin=1.52 pot=20.25 Rg=6.407 SPS=1290
bl=4536 pos[1]=[-21.4 -17.6 -11.4] dr=1.29 t=47360.0ps kin=1.51 pot=20.27 Rg=6.506 SPS=1183
bl=4537 pos[1]=[-22.9 -18.6 -12.5] dr=1.34 t=47370.0ps kin=1.46 pot=20.25 Rg=6.468 SPS=1221
bl=4538 pos[1]=[-21.3 -20.1 -10.8] dr=1.29 t=47380.0ps kin=1.54 pot=20.29 Rg=6.474 SPS=1187
bl=4539 pos[1]=[-23.2 -18.2 -10.0] dr=1.36 t=47390.0ps kin=1.46 pot=20.25 Rg=6.480 SPS=1341
bl=4540 pos[1]=[-21.3 -15.7 -9.4] dr=1.31 t=47400.0ps kin=1.47 pot=20.22 Rg=6.496 SPS=1063
bl=4541 pos[1]=[-22.3 -17.2 -11.0] dr=1.34 t=47410.0ps kin=1.49 pot=20.27 Rg=6.599 SPS=1227
bl=4542 pos[1]=[-22.8 -14.4 -12.9] dr=1.36 t=47420.0ps kin=1.50 pot=20.26 Rg=6.523 SPS=1381
bl=4543 pos[1]=[-23.4 -15.0 -13.9] dr=1.29 t=47430.0ps kin=1.47 pot=20.24 Rg=6.500 SPS=1324
bl=4544 pos[1]=[-26.5 -17.9 -13.0] dr=1.30 t=47440.0ps kin=1.51 pot=20.19 Rg=6.499 SPS=1040
bl=4545 pos[1]=[-27.5 -14.3 -11.8] dr=1.30 t=47450.0ps kin=1.52 pot=20.21 Rg=6.504 SPS=1250
bl=4546 pos[1]=[-25.0 -16.2 -10.6] dr=1.30 t=47460.0ps kin=1.55 pot=20.21 Rg=6.429 SPS=891
bl=4547 pos[1]=[-22.7 -16.0 -9.9] dr=1.31 t=47470.0ps kin=1.57 pot=20.17 Rg=6.413 SPS=858
bl=4548 pos[1]=[-21.9 -17.5 -10.3] dr=1.36 t=47480.0ps kin=1.48 pot=20.24 Rg=6.433 SPS=1084
bl=4549 pos[1]=[-21.8 -17.6 -11.9] dr=1.33 t=47490.0ps kin=1.53 pot=20.23 Rg=6.487 SPS=1333
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-13.94651396 -15.7443669 -12.89072389] Rg = 6.487333
median bond size is 0.9646235141723525
three shortest/longest (<10)/ bonds are [0.86887055 0.88339948 0.88412482] [1.08075836 1.10012086 1.1241515 ]
95 percentile of distance to center is: 9.111118103209513
density of closest 95% monomers is: 0.40661149943676567
density of the core monomers is: 0.7765471057554411
min/median/mean/max coordinates are:
x: -25.39, -13.56, -13.95, -5.17
y: -25.42, -15.59, -15.74, -6.79
z: -22.99, -12.85, -12.89, -4.30
Statistics for velocities:
mean kinetic energy is: 1.531853834868243 should be: 1.5
fastest particles are (in kT): [6.97734797 7.29454083 7.52550551 8.15748832 8.30881782]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.225776064712388
bl=4550 pos[1]=[-20.5 -16.8 -11.8] dr=1.36 t=47500.0ps kin=1.53 pot=20.21 Rg=6.503 SPS=1129
bl=4551 pos[1]=[-21.3 -17.5 -11.8] dr=1.35 t=47510.0ps kin=1.51 pot=20.28 Rg=6.548 SPS=789
bl=4552 pos[1]=[-20.9 -15.6 -11.2] dr=1.40 t=47520.0ps kin=1.54 pot=20.26 Rg=6.534 SPS=1181
bl=4553 pos[1]=[-20.9 -16.1 -11.7] dr=1.41 t=47530.0ps kin=1.50 pot=20.27 Rg=6.396 SPS=1308
bl=4554 pos[1]=[-22.2 -14.1 -9.9] dr=1.31 t=47540.0ps kin=1.52 pot=20.27 Rg=6.378 SPS=1115
bl=4555 pos[1]=[-22.8 -15.2 -10.7] dr=1.35 t=47550.0ps kin=1.51 pot=20.27 Rg=6.385 SPS=845
bl=4556 pos[1]=[-22.3 -17.6 -10.7] dr=1.34 t=47560.0ps kin=1.53 pot=20.28 Rg=6.426 SPS=934
bl=4557 pos[1]=[-21.3 -16.5 -10.4] dr=1.36 t=47570.0ps kin=1.47 pot=20.20 Rg=6.370 SPS=907
bl=4558 pos[1]=[-21.9 -16.5 -9.3] dr=1.38 t=47580.0ps kin=1.46 pot=20.23 Rg=6.330 SPS=1154
bl=4559 pos[1]=[-21.2 -15.8 -9.8] dr=1.40 t=47590.0ps kin=1.53 pot=20.21 Rg=6.404 SPS=931
bl=4560 pos[1]=[-21.5 -16.2 -9.4] dr=1.31 t=47600.0ps kin=1.52 pot=20.22 Rg=6.448 SPS=886
bl=4561 pos[1]=[-19.0 -13.9 -6.2] dr=1.41 t=47610.0ps kin=1.61 pot=20.25 Rg=6.324 SPS=828
bl=4562 pos[1]=[-19.2 -14.3 -8.5] dr=1.37 t=47620.0ps kin=1.52 pot=20.26 Rg=6.394 SPS=1033
bl=4563 pos[1]=[-20.3 -12.7 -8.5] dr=1.35 t=47630.0ps kin=1.51 pot=20.22 Rg=6.439 SPS=1000
bl=4564 pos[1]=[-22.1 -15.0 -9.6] dr=1.34 t=47640.0ps kin=1.51 pot=20.21 Rg=6.386 SPS=677
bl=4565 pos[1]=[-21.2 -15.9 -11.5] dr=1.29 t=47650.0ps kin=1.51 pot=20.21 Rg=6.313 SPS=752
bl=4566 pos[1]=[-20.4 -14.2 -11.3] dr=1.29 t=47660.0ps kin=1.47 pot=20.20 Rg=6.383 SPS=989
bl=4567 pos[1]=[-19.6 -12.5 -12.0] dr=1.33 t=47670.0ps kin=1.56 pot=20.23 Rg=6.379 SPS=914
bl=4568 pos[1]=[-19.7 -11.9 -11.6] dr=1.41 t=47680.0ps kin=1.54 pot=20.23 Rg=6.430 SPS=1011
bl=4569 pos[1]=[-18.9 -9.1 -14.1] dr=1.35 t=47690.0ps kin=1.49 pot=20.29 Rg=6.374 SPS=1190
bl=4570 pos[1]=[-18.7 -10.5 -16.5] dr=1.32 t=47700.0ps kin=1.48 pot=20.21 Rg=6.370 SPS=874
bl=4571 pos[1]=[-18.7 -12.0 -17.1] dr=1.30 t=47710.0ps kin=1.43 pot=20.26 Rg=6.418 SPS=1077
bl=4572 pos[1]=[-19.1 -13.4 -16.9] dr=1.32 t=47720.0ps kin=1.46 pot=20.28 Rg=6.405 SPS=839
bl=4573 pos[1]=[-18.6 -15.6 -14.8] dr=1.36 t=47730.0ps kin=1.49 pot=20.19 Rg=6.375 SPS=1222
bl=4574 pos[1]=[-19.5 -15.5 -13.3] dr=1.36 t=47740.0ps kin=1.48 pot=20.22 Rg=6.384 SPS=1070
bl=4575 pos[1]=[-19.7 -16.5 -12.9] dr=1.34 t=47750.0ps kin=1.48 pot=20.28 Rg=6.436 SPS=1389
bl=4576 pos[1]=[-21.2 -15.1 -15.1] dr=1.31 t=47760.0ps kin=1.49 pot=20.28 Rg=6.412 SPS=1379
bl=4577 pos[1]=[-20.0 -16.2 -13.4] dr=1.34 t=47770.0ps kin=1.49 pot=20.13 Rg=6.341 SPS=1317
bl=4578 pos[1]=[-22.7 -16.7 -11.8] dr=1.35 t=47780.0ps kin=1.49 pot=20.20 Rg=6.439 SPS=875
bl=4579 pos[1]=[-23.0 -16.7 -12.6] dr=1.35 t=47790.0ps kin=1.53 pot=20.21 Rg=6.424 SPS=746
bl=4580 pos[1]=[-20.2 -16.0 -14.1] dr=1.44 t=47800.0ps kin=1.56 pot=20.26 Rg=6.486 SPS=1045
bl=4581 pos[1]=[-20.0 -18.0 -16.0] dr=1.35 t=47810.0ps kin=1.52 pot=20.34 Rg=6.508 SPS=1228
bl=4582 pos[1]=[-19.8 -18.3 -16.2] dr=1.39 t=47820.0ps kin=1.51 pot=20.28 Rg=6.601 SPS=985
bl=4583 pos[1]=[-19.6 -17.5 -17.1] dr=1.37 t=47830.0ps kin=1.47 pot=20.28 Rg=6.574 SPS=1240
bl=4584 pos[1]=[-22.4 -16.3 -12.5] dr=1.38 t=47840.0ps kin=1.50 pot=20.23 Rg=6.582 SPS=1295
bl=4585 pos[1]=[-20.1 -15.4 -8.6] dr=1.39 t=47850.0ps kin=1.49 pot=20.22 Rg=6.532 SPS=978
bl=4586 pos[1]=[-19.1 -15.3 -10.4] dr=1.35 t=47860.0ps kin=1.49 pot=20.21 Rg=6.517 SPS=731
bl=4587 pos[1]=[-19.0 -16.0 -7.5] dr=1.34 t=47870.0ps kin=1.48 pot=20.23 Rg=6.530 SPS=1023
bl=4588 pos[1]=[-20.3 -16.3 -9.7] dr=1.37 t=47880.0ps kin=1.51 pot=20.23 Rg=6.449 SPS=1011
bl=4589 pos[1]=[-20.9 -16.2 -8.7] dr=1.39 t=47890.0ps kin=1.55 pot=20.23 Rg=6.519 SPS=1174
bl=4590 pos[1]=[-21.3 -16.3 -9.8] dr=1.41 t=47900.0ps kin=1.48 pot=20.22 Rg=6.554 SPS=1385
bl=4591 pos[1]=[-20.0 -14.2 -8.1] dr=1.32 t=47910.0ps kin=1.51 pot=20.25 Rg=6.510 SPS=746
bl=4592 pos[1]=[-21.1 -17.4 -9.5] dr=1.36 t=47920.0ps kin=1.46 pot=20.22 Rg=6.432 SPS=734
bl=4593 pos[1]=[-21.7 -15.8 -12.5] dr=1.31 t=47930.0ps kin=1.47 pot=20.31 Rg=6.431 SPS=745
bl=4594 pos[1]=[-20.8 -12.4 -10.9] dr=1.37 t=47940.0ps kin=1.55 pot=20.28 Rg=6.423 SPS=741
bl=4595 pos[1]=[-21.2 -13.4 -12.5] dr=1.36 t=47950.0ps kin=1.51 pot=20.23 Rg=6.457 SPS=1132
bl=4596 pos[1]=[-21.0 -16.5 -10.8] dr=1.36 t=47960.0ps kin=1.54 pot=20.24 Rg=6.435 SPS=862
bl=4597 pos[1]=[-22.9 -16.2 -10.2] dr=1.34 t=47970.0ps kin=1.48 pot=20.27 Rg=6.454 SPS=891
bl=4598 pos[1]=[-24.4 -15.2 -11.1] dr=1.37 t=47980.0ps kin=1.51 pot=20.28 Rg=6.424 SPS=1131
bl=4599 pos[1]=[-21.1 -16.4 -11.1] dr=1.35 t=47990.0ps kin=1.53 pot=20.26 Rg=6.438 SPS=1308
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.36103576 -16.00824646 -12.92888687] Rg = 6.438127
median bond size is 0.9655148766958542
three shortest/longest (<10)/ bonds are [0.87557378 0.87947954 0.88943386] [1.09937898 1.09951153 1.10167021]
95 percentile of distance to center is: 8.948108063603536
density of closest 95% monomers is: 0.42924082866441404
density of the core monomers is: 0.7827574484770626
min/median/mean/max coordinates are:
x: -22.11, -12.44, -12.36, -3.50
y: -26.50, -15.87, -16.01, -6.88
z: -23.28, -12.87, -12.93, -4.81
Statistics for velocities:
mean kinetic energy is: 1.5365856592259501 should be: 1.5
fastest particles are (in kT): [7.36082766 7.38384861 7.57745853 7.97746771 8.31284401]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.26295457688053
bl=4600 pos[1]=[-21.8 -16.7 -12.3] dr=1.33 t=48000.0ps kin=1.55 pot=20.29 Rg=6.437 SPS=1365
bl=4601 pos[1]=[-21.6 -16.6 -12.1] dr=1.33 t=48010.0ps kin=1.45 pot=20.25 Rg=6.463 SPS=1362
bl=4602 pos[1]=[-20.5 -14.9 -10.0] dr=1.32 t=48020.0ps kin=1.47 pot=20.23 Rg=6.386 SPS=1304
bl=4603 pos[1]=[-22.1 -14.9 -11.1] dr=1.35 t=48030.0ps kin=1.45 pot=20.24 Rg=6.505 SPS=1349
bl=4604 pos[1]=[-22.5 -14.7 -10.7] dr=1.35 t=48040.0ps kin=1.55 pot=20.24 Rg=6.432 SPS=1327
bl=4605 pos[1]=[-22.1 -14.4 -9.0] dr=1.36 t=48050.0ps kin=1.50 pot=20.24 Rg=6.465 SPS=1329
bl=4606 pos[1]=[-22.1 -11.9 -7.6] dr=1.35 t=48060.0ps kin=1.51 pot=20.24 Rg=6.427 SPS=1126
bl=4607 pos[1]=[-23.7 -10.5 -5.8] dr=1.29 t=48070.0ps kin=1.46 pot=20.27 Rg=6.483 SPS=715
bl=4608 pos[1]=[-25.4 -13.8 -6.4] dr=1.34 t=48080.0ps kin=1.59 pot=20.23 Rg=6.451 SPS=1293
bl=4609 pos[1]=[-26.7 -13.5 -8.9] dr=1.40 t=48090.0ps kin=1.55 pot=20.23 Rg=6.478 SPS=1322
bl=4610 pos[1]=[-23.8 -16.3 -10.6] dr=1.35 t=48100.0ps kin=1.51 pot=20.26 Rg=6.496 SPS=1272
bl=4611 pos[1]=[-20.1 -16.9 -10.9] dr=1.37 t=48110.0ps kin=1.47 pot=20.26 Rg=6.445 SPS=1333
bl=4612 pos[1]=[-20.8 -16.3 -9.4] dr=1.33 t=48120.0ps kin=1.48 pot=20.23 Rg=6.469 SPS=1332
bl=4613 pos[1]=[-20.5 -15.7 -8.5] dr=1.32 t=48130.0ps kin=1.47 pot=20.23 Rg=6.475 SPS=1327
bl=4614 pos[1]=[-20.4 -16.2 -8.1] dr=1.30 t=48140.0ps kin=1.50 pot=20.23 Rg=6.410 SPS=955
bl=4615 pos[1]=[-20.5 -15.3 -8.1] dr=1.32 t=48150.0ps kin=1.47 pot=20.24 Rg=6.368 SPS=1173
bl=4616 pos[1]=[-20.0 -16.2 -7.0] dr=1.35 t=48160.0ps kin=1.47 pot=20.22 Rg=6.449 SPS=859
bl=4617 pos[1]=[-19.9 -14.4 -7.8] dr=1.35 t=48170.0ps kin=1.51 pot=20.32 Rg=6.459 SPS=956
bl=4618 pos[1]=[-21.1 -14.6 -8.2] dr=1.37 t=48180.0ps kin=1.48 pot=20.29 Rg=6.470 SPS=1077
bl=4619 pos[1]=[-20.9 -15.1 -8.8] dr=1.35 t=48190.0ps kin=1.50 pot=20.24 Rg=6.447 SPS=1337
bl=4620 pos[1]=[-24.0 -15.8 -10.8] dr=1.34 t=48200.0ps kin=1.47 pot=20.25 Rg=6.426 SPS=1337
bl=4621 pos[1]=[-22.1 -16.6 -11.9] dr=1.33 t=48210.0ps kin=1.50 pot=20.15 Rg=6.448 SPS=1099
bl=4622 pos[1]=[-21.5 -15.2 -10.9] dr=1.31 t=48220.0ps kin=1.51 pot=20.15 Rg=6.456 SPS=1294
bl=4623 pos[1]=[-22.3 -15.8 -10.6] dr=1.29 t=48230.0ps kin=1.50 pot=20.21 Rg=6.423 SPS=1323
bl=4624 pos[1]=[-21.0 -17.5 -12.4] dr=1.34 t=48240.0ps kin=1.51 pot=20.20 Rg=6.509 SPS=1317
bl=4625 pos[1]=[-23.0 -19.5 -9.3] dr=1.36 t=48250.0ps kin=1.47 pot=20.20 Rg=6.503 SPS=1327
bl=4626 pos[1]=[-18.9 -20.0 -7.9] dr=1.28 t=48260.0ps kin=1.51 pot=20.21 Rg=6.459 SPS=1328
bl=4627 pos[1]=[-17.6 -20.3 -9.3] dr=1.31 t=48270.0ps kin=1.51 pot=20.25 Rg=6.449 SPS=1306
bl=4628 pos[1]=[-16.6 -21.3 -8.5] dr=1.39 t=48280.0ps kin=1.53 pot=20.27 Rg=6.484 SPS=1306
bl=4629 pos[1]=[-19.6 -19.5 -7.8] dr=1.39 t=48290.0ps kin=1.50 pot=20.29 Rg=6.493 SPS=1317
bl=4630 pos[1]=[-20.4 -18.7 -9.5] dr=1.40 t=48300.0ps kin=1.53 pot=20.27 Rg=6.407 SPS=1313
bl=4631 pos[1]=[-20.3 -19.7 -9.0] dr=1.37 t=48310.0ps kin=1.51 pot=20.24 Rg=6.381 SPS=743
bl=4632 pos[1]=[-18.7 -19.0 -10.8] dr=1.37 t=48320.0ps kin=1.54 pot=20.21 Rg=6.446 SPS=1313
bl=4633 pos[1]=[-17.5 -18.9 -9.3] dr=1.39 t=48330.0ps kin=1.47 pot=20.19 Rg=6.360 SPS=860
bl=4634 pos[1]=[-16.4 -19.2 -8.4] dr=1.37 t=48340.0ps kin=1.49 pot=20.21 Rg=6.429 SPS=754
bl=4635 pos[1]=[-15.6 -20.2 -9.3] dr=1.36 t=48350.0ps kin=1.53 pot=20.28 Rg=6.375 SPS=753
bl=4636 pos[1]=[-15.1 -19.6 -7.4] dr=1.33 t=48360.0ps kin=1.49 pot=20.21 Rg=6.468 SPS=1038
bl=4637 pos[1]=[-15.7 -17.9 -7.0] dr=1.37 t=48370.0ps kin=1.55 pot=20.23 Rg=6.443 SPS=684
bl=4638 pos[1]=[-15.3 -17.5 -5.7] dr=1.33 t=48380.0ps kin=1.54 pot=20.27 Rg=6.445 SPS=1162
bl=4639 pos[1]=[-17.3 -20.0 -7.8] dr=1.37 t=48390.0ps kin=1.56 pot=20.22 Rg=6.391 SPS=1025
bl=4640 pos[1]=[-14.4 -20.2 -9.6] dr=1.34 t=48400.0ps kin=1.47 pot=20.22 Rg=6.400 SPS=762
bl=4641 pos[1]=[-15.9 -20.6 -8.2] dr=1.31 t=48410.0ps kin=1.48 pot=20.25 Rg=6.449 SPS=1038
bl=4642 pos[1]=[-15.5 -21.0 -9.1] dr=1.34 t=48420.0ps kin=1.53 pot=20.18 Rg=6.404 SPS=1108
bl=4643 pos[1]=[-18.0 -21.5 -10.0] dr=1.37 t=48430.0ps kin=1.49 pot=20.21 Rg=6.425 SPS=780
bl=4644 pos[1]=[-18.9 -19.6 -9.8] dr=1.33 t=48440.0ps kin=1.53 pot=20.18 Rg=6.385 SPS=682
bl=4645 pos[1]=[-18.3 -18.9 -11.5] dr=1.32 t=48450.0ps kin=1.47 pot=20.22 Rg=6.415 SPS=697
bl=4646 pos[1]=[-17.9 -18.2 -10.3] dr=1.30 t=48460.0ps kin=1.53 pot=20.16 Rg=6.387 SPS=1223
bl=4647 pos[1]=[-17.2 -18.5 -10.5] dr=1.31 t=48470.0ps kin=1.44 pot=20.14 Rg=6.394 SPS=737
bl=4648 pos[1]=[-17.4 -20.3 -9.9] dr=1.30 t=48480.0ps kin=1.47 pot=20.16 Rg=6.353 SPS=1074
bl=4649 pos[1]=[-16.0 -21.9 -9.1] dr=1.34 t=48490.0ps kin=1.49 pot=20.23 Rg=6.463 SPS=677
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.85113443 -14.47798042 -13.31658782] Rg = 6.4627323
median bond size is 0.9661572267142126
three shortest/longest (<10)/ bonds are [0.87987167 0.88157622 0.88188012] [1.0776473 1.08408991 1.0847999 ]
95 percentile of distance to center is: 8.99142831487394
density of closest 95% monomers is: 0.4230664896597177
density of the core monomers is: 0.7447789693501268
min/median/mean/max coordinates are:
x: -21.29, -11.87, -11.85, -3.79
y: -23.17, -14.72, -14.48, -4.80
z: -22.48, -13.45, -13.32, -3.43
Statistics for velocities:
mean kinetic energy is: 1.490916393454974 should be: 1.5
fastest particles are (in kT): [6.52529102 7.32026511 7.34126242 7.37061029 7.94461132]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.228118086283185
bl=4650 pos[1]=[-14.2 -21.4 -8.6] dr=1.34 t=48500.0ps kin=1.49 pot=20.25 Rg=6.410 SPS=1113
bl=4651 pos[1]=[-15.6 -21.7 -10.1] dr=1.31 t=48510.0ps kin=1.53 pot=20.25 Rg=6.370 SPS=690
bl=4652 pos[1]=[-16.8 -22.0 -10.0] dr=1.36 t=48520.0ps kin=1.53 pot=20.24 Rg=6.369 SPS=731
bl=4653 pos[1]=[-18.6 -20.8 -11.9] dr=1.35 t=48530.0ps kin=1.51 pot=20.23 Rg=6.387 SPS=717
bl=4654 pos[1]=[-19.8 -17.8 -12.5] dr=1.31 t=48540.0ps kin=1.51 pot=20.25 Rg=6.399 SPS=1343
bl=4655 pos[1]=[-21.0 -17.1 -11.3] dr=1.33 t=48550.0ps kin=1.50 pot=20.24 Rg=6.470 SPS=1308
bl=4656 pos[1]=[-21.7 -17.8 -12.2] dr=1.31 t=48560.0ps kin=1.54 pot=20.16 Rg=6.429 SPS=1306
bl=4657 pos[1]=[-21.8 -19.0 -10.8] dr=1.34 t=48570.0ps kin=1.50 pot=20.15 Rg=6.387 SPS=1332
bl=4658 pos[1]=[-20.4 -18.2 -9.8] dr=1.36 t=48580.0ps kin=1.50 pot=20.24 Rg=6.483 SPS=1320
bl=4659 pos[1]=[-18.7 -19.9 -7.3] dr=1.34 t=48590.0ps kin=1.50 pot=20.21 Rg=6.462 SPS=1344
bl=4660 pos[1]=[-16.8 -20.9 -7.0] dr=1.31 t=48600.0ps kin=1.49 pot=20.18 Rg=6.473 SPS=1319
bl=4661 pos[1]=[-15.1 -20.9 -7.9] dr=1.34 t=48610.0ps kin=1.46 pot=20.18 Rg=6.488 SPS=1342
bl=4662 pos[1]=[-17.8 -19.0 -6.9] dr=1.33 t=48620.0ps kin=1.49 pot=20.20 Rg=6.475 SPS=1324
bl=4663 pos[1]=[-18.8 -19.2 -10.2] dr=1.37 t=48630.0ps kin=1.51 pot=20.24 Rg=6.466 SPS=1135
bl=4664 pos[1]=[-20.3 -17.9 -10.2] dr=1.29 t=48640.0ps kin=1.52 pot=20.17 Rg=6.442 SPS=1323
bl=4665 pos[1]=[-17.9 -20.1 -9.1] dr=1.28 t=48650.0ps kin=1.48 pot=20.21 Rg=6.471 SPS=1333
bl=4666 pos[1]=[-16.8 -19.5 -8.5] dr=1.30 t=48660.0ps kin=1.46 pot=20.17 Rg=6.423 SPS=1251
bl=4667 pos[1]=[-17.7 -17.9 -7.2] dr=1.35 t=48670.0ps kin=1.49 pot=20.15 Rg=6.407 SPS=1307
bl=4668 pos[1]=[-18.0 -17.3 -7.4] dr=1.34 t=48680.0ps kin=1.51 pot=20.15 Rg=6.456 SPS=893
bl=4669 pos[1]=[-16.4 -16.8 -7.7] dr=1.33 t=48690.0ps kin=1.49 pot=20.18 Rg=6.419 SPS=696
bl=4670 pos[1]=[-18.0 -17.1 -7.2] dr=1.30 t=48700.0ps kin=1.45 pot=20.21 Rg=6.429 SPS=1211
bl=4671 pos[1]=[-17.9 -19.1 -7.9] dr=1.29 t=48710.0ps kin=1.45 pot=20.19 Rg=6.397 SPS=1300
bl=4672 pos[1]=[-18.0 -18.9 -9.0] dr=1.31 t=48720.0ps kin=1.50 pot=20.17 Rg=6.344 SPS=1321
bl=4673 pos[1]=[-18.0 -18.2 -8.7] dr=1.29 t=48730.0ps kin=1.50 pot=20.16 Rg=6.410 SPS=1350
bl=4674 pos[1]=[-15.2 -18.1 -8.4] dr=1.33 t=48740.0ps kin=1.48 pot=20.24 Rg=6.441 SPS=1314
bl=4675 pos[1]=[-17.1 -17.9 -8.7] dr=1.24 t=48750.0ps kin=1.48 pot=20.19 Rg=6.440 SPS=1325
bl=4676 pos[1]=[-17.8 -18.1 -9.2] dr=1.37 t=48760.0ps kin=1.45 pot=20.22 Rg=6.462 SPS=1306
bl=4677 pos[1]=[-16.0 -18.3 -7.2] dr=1.34 t=48770.0ps kin=1.48 pot=20.26 Rg=6.600 SPS=1306
bl=4678 pos[1]=[-15.5 -16.0 -8.3] dr=1.32 t=48780.0ps kin=1.55 pot=20.24 Rg=6.579 SPS=1390
bl=4679 pos[1]=[-15.6 -17.0 -7.3] dr=1.28 t=48790.0ps kin=1.57 pot=20.19 Rg=6.396 SPS=1338
bl=4680 pos[1]=[-16.1 -17.2 -7.7] dr=1.25 t=48800.0ps kin=1.46 pot=20.24 Rg=6.430 SPS=1298
bl=4681 pos[1]=[-17.4 -17.9 -7.7] dr=1.29 t=48810.0ps kin=1.52 pot=20.22 Rg=6.443 SPS=1333
bl=4682 pos[1]=[-17.9 -16.6 -7.1] dr=1.39 t=48820.0ps kin=1.54 pot=20.24 Rg=6.471 SPS=1279
bl=4683 pos[1]=[-17.9 -14.6 -7.2] dr=1.33 t=48830.0ps kin=1.52 pot=20.23 Rg=6.526 SPS=1378
bl=4684 pos[1]=[-16.8 -13.9 -8.9] dr=1.27 t=48840.0ps kin=1.52 pot=20.23 Rg=6.441 SPS=1321
bl=4685 pos[1]=[-16.2 -17.0 -6.2] dr=1.37 t=48850.0ps kin=1.50 pot=20.27 Rg=6.468 SPS=1113
bl=4686 pos[1]=[-16.9 -17.4 -8.8] dr=1.31 t=48860.0ps kin=1.46 pot=20.28 Rg=6.416 SPS=1327
bl=4687 pos[1]=[-16.9 -16.8 -9.8] dr=1.32 t=48870.0ps kin=1.50 pot=20.19 Rg=6.450 SPS=1314
bl=4688 pos[1]=[-18.0 -17.3 -8.8] dr=1.33 t=48880.0ps kin=1.49 pot=20.16 Rg=6.428 SPS=997
bl=4689 pos[1]=[-18.4 -15.9 -9.8] dr=1.30 t=48890.0ps kin=1.52 pot=20.18 Rg=6.420 SPS=967
bl=4690 pos[1]=[-19.4 -17.0 -9.4] dr=1.25 t=48900.0ps kin=1.48 pot=20.26 Rg=6.505 SPS=761
bl=4691 pos[1]=[-18.1 -16.5 -10.1] dr=1.34 t=48910.0ps kin=1.56 pot=20.22 Rg=6.400 SPS=1240
bl=4692 pos[1]=[-18.2 -17.2 -9.6] dr=1.33 t=48920.0ps kin=1.52 pot=20.18 Rg=6.424 SPS=1256
bl=4693 pos[1]=[-17.2 -18.4 -10.3] dr=1.28 t=48930.0ps kin=1.49 pot=20.22 Rg=6.476 SPS=1304
bl=4694 pos[1]=[-17.3 -18.2 -11.1] dr=1.36 t=48940.0ps kin=1.50 pot=20.26 Rg=6.480 SPS=1313
bl=4695 pos[1]=[-18.2 -18.4 -10.8] dr=1.37 t=48950.0ps kin=1.52 pot=20.25 Rg=6.520 SPS=1337
bl=4696 pos[1]=[-18.5 -18.7 -10.3] dr=1.31 t=48960.0ps kin=1.48 pot=20.19 Rg=6.459 SPS=701
bl=4697 pos[1]=[-18.5 -16.7 -10.8] dr=1.33 t=48970.0ps kin=1.42 pot=20.19 Rg=6.477 SPS=1107
bl=4698 pos[1]=[-18.0 -15.8 -11.5] dr=1.37 t=48980.0ps kin=1.43 pot=20.24 Rg=6.516 SPS=1166
bl=4699 pos[1]=[-17.9 -16.7 -12.7] dr=1.41 t=48990.0ps kin=1.54 pot=20.27 Rg=6.503 SPS=1058
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.70123572 -15.79753577 -13.8132676 ] Rg = 6.5033917
median bond size is 0.9656093619230729
three shortest/longest (<10)/ bonds are [0.88191593 0.88295388 0.88842344] [1.08021775 1.08180551 1.121114 ]
95 percentile of distance to center is: 9.251022675381654
density of closest 95% monomers is: 0.3884413449083124
density of the core monomers is: 0.7256209077958339
min/median/mean/max coordinates are:
x: -21.54, -11.60, -11.70, -1.77
y: -25.17, -15.66, -15.80, -7.40
z: -22.47, -13.67, -13.81, -4.58
Statistics for velocities:
mean kinetic energy is: 1.5434682415702816 should be: 1.5
fastest particles are (in kT): [7.17275396 7.2631165 7.76324696 8.18451733 8.25368636]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.27272020188053
bl=4700 pos[1]=[-17.7 -16.8 -13.2] dr=1.30 t=49000.0ps kin=1.50 pot=20.25 Rg=6.612 SPS=1291
bl=4701 pos[1]=[-17.5 -17.4 -13.0] dr=1.37 t=49010.0ps kin=1.52 pot=20.22 Rg=6.551 SPS=1341
bl=4702 pos[1]=[-18.3 -16.2 -11.8] dr=1.39 t=49020.0ps kin=1.48 pot=20.26 Rg=6.640 SPS=1295
bl=4703 pos[1]=[-17.6 -15.4 -11.1] dr=1.41 t=49030.0ps kin=1.52 pot=20.22 Rg=6.537 SPS=1287
bl=4704 pos[1]=[-18.9 -16.1 -11.6] dr=1.35 t=49040.0ps kin=1.48 pot=20.23 Rg=6.464 SPS=1298
bl=4705 pos[1]=[-19.1 -16.9 -12.1] dr=1.35 t=49050.0ps kin=1.46 pot=20.23 Rg=6.440 SPS=1342
bl=4706 pos[1]=[-18.0 -17.4 -10.7] dr=1.32 t=49060.0ps kin=1.50 pot=20.22 Rg=6.453 SPS=1300
bl=4707 pos[1]=[-18.2 -18.1 -11.7] dr=1.33 t=49070.0ps kin=1.51 pot=20.20 Rg=6.487 SPS=1391
bl=4708 pos[1]=[-18.3 -17.9 -11.9] dr=1.38 t=49080.0ps kin=1.52 pot=20.26 Rg=6.426 SPS=1344
bl=4709 pos[1]=[-17.8 -17.8 -11.1] dr=1.34 t=49090.0ps kin=1.54 pot=20.28 Rg=6.480 SPS=1258
bl=4710 pos[1]=[-17.8 -17.6 -11.5] dr=1.35 t=49100.0ps kin=1.51 pot=20.25 Rg=6.486 SPS=1314
bl=4711 pos[1]=[-17.1 -18.0 -10.9] dr=1.34 t=49110.0ps kin=1.54 pot=20.22 Rg=6.460 SPS=1293
bl=4712 pos[1]=[-16.9 -18.5 -10.6] dr=1.34 t=49120.0ps kin=1.51 pot=20.23 Rg=6.435 SPS=1325
bl=4713 pos[1]=[-17.2 -18.2 -11.4] dr=1.26 t=49130.0ps kin=1.48 pot=20.21 Rg=6.421 SPS=1287
bl=4714 pos[1]=[-17.5 -17.8 -12.6] dr=1.32 t=49140.0ps kin=1.47 pot=20.18 Rg=6.374 SPS=1296
bl=4715 pos[1]=[-17.8 -18.8 -12.5] dr=1.28 t=49150.0ps kin=1.51 pot=20.17 Rg=6.434 SPS=1054
bl=4716 pos[1]=[-17.4 -18.5 -13.1] dr=1.31 t=49160.0ps kin=1.49 pot=20.20 Rg=6.473 SPS=1324
bl=4717 pos[1]=[-17.2 -18.4 -11.9] dr=1.33 t=49170.0ps kin=1.48 pot=20.25 Rg=6.520 SPS=1365
bl=4718 pos[1]=[-19.0 -17.2 -13.0] dr=1.33 t=49180.0ps kin=1.45 pot=20.30 Rg=6.456 SPS=1322
bl=4719 pos[1]=[-17.5 -18.3 -14.4] dr=1.33 t=49190.0ps kin=1.52 pot=20.20 Rg=6.503 SPS=1326
bl=4720 pos[1]=[-17.0 -17.1 -14.0] dr=1.33 t=49200.0ps kin=1.45 pot=20.26 Rg=6.398 SPS=1338
bl=4721 pos[1]=[-17.1 -17.7 -14.5] dr=1.31 t=49210.0ps kin=1.48 pot=20.24 Rg=6.390 SPS=1267
bl=4722 pos[1]=[-16.9 -18.5 -14.4] dr=1.36 t=49220.0ps kin=1.54 pot=20.19 Rg=6.463 SPS=1271
bl=4723 pos[1]=[-17.6 -17.7 -15.0] dr=1.27 t=49230.0ps kin=1.46 pot=20.23 Rg=6.421 SPS=1251
bl=4724 pos[1]=[-17.7 -17.5 -15.1] dr=1.28 t=49240.0ps kin=1.52 pot=20.18 Rg=6.443 SPS=1262
bl=4725 pos[1]=[-19.3 -16.6 -14.0] dr=1.26 t=49250.0ps kin=1.44 pot=20.23 Rg=6.459 SPS=1264
bl=4726 pos[1]=[-18.6 -16.7 -13.1] dr=1.31 t=49260.0ps kin=1.48 pot=20.23 Rg=6.496 SPS=1301
bl=4727 pos[1]=[-18.6 -17.0 -13.8] dr=1.32 t=49270.0ps kin=1.55 pot=20.24 Rg=6.423 SPS=1258
bl=4728 pos[1]=[-18.6 -17.8 -14.2] dr=1.39 t=49280.0ps kin=1.53 pot=20.23 Rg=6.407 SPS=1247
bl=4729 pos[1]=[-18.7 -17.7 -14.3] dr=1.34 t=49290.0ps kin=1.53 pot=20.19 Rg=6.403 SPS=1254
bl=4730 pos[1]=[-19.1 -19.5 -14.0] dr=1.35 t=49300.0ps kin=1.50 pot=20.23 Rg=6.438 SPS=1273
bl=4731 pos[1]=[-18.7 -18.9 -13.2] dr=1.34 t=49310.0ps kin=1.50 pot=20.18 Rg=6.482 SPS=1227
bl=4732 pos[1]=[-19.8 -18.0 -12.7] dr=1.32 t=49320.0ps kin=1.49 pot=20.28 Rg=6.535 SPS=1280
bl=4733 pos[1]=[-21.2 -21.1 -12.7] dr=1.38 t=49330.0ps kin=1.53 pot=20.25 Rg=6.571 SPS=1271
bl=4734 pos[1]=[-21.1 -16.9 -11.6] dr=1.39 t=49340.0ps kin=1.48 pot=20.30 Rg=6.509 SPS=1223
bl=4735 pos[1]=[-21.7 -18.5 -9.9] dr=1.33 t=49350.0ps kin=1.55 pot=20.25 Rg=6.544 SPS=1257
bl=4736 pos[1]=[-20.5 -20.0 -8.8] dr=1.39 t=49360.0ps kin=1.58 pot=20.27 Rg=6.502 SPS=1258
bl=4737 pos[1]=[-20.2 -18.5 -9.1] dr=1.35 t=49370.0ps kin=1.54 pot=20.28 Rg=6.473 SPS=1280
bl=4738 pos[1]=[-19.0 -18.1 -10.3] dr=1.41 t=49380.0ps kin=1.50 pot=20.29 Rg=6.623 SPS=1246
bl=4739 pos[1]=[-18.8 -19.7 -9.4] dr=1.36 t=49390.0ps kin=1.51 pot=20.29 Rg=6.506 SPS=1290
bl=4740 pos[1]=[-17.7 -18.2 -9.9] dr=1.36 t=49400.0ps kin=1.46 pot=20.30 Rg=6.419 SPS=1243
bl=4741 pos[1]=[-19.2 -18.2 -10.3] dr=1.33 t=49410.0ps kin=1.53 pot=20.21 Rg=6.416 SPS=699
bl=4742 pos[1]=[-19.8 -20.1 -11.0] dr=1.39 t=49420.0ps kin=1.48 pot=20.26 Rg=6.573 SPS=934
bl=4743 pos[1]=[-19.7 -22.5 -11.8] dr=1.36 t=49430.0ps kin=1.48 pot=20.23 Rg=6.462 SPS=732
bl=4744 pos[1]=[-19.2 -22.0 -11.5] dr=1.40 t=49440.0ps kin=1.50 pot=20.23 Rg=6.430 SPS=1090
bl=4745 pos[1]=[-16.0 -22.7 -10.2] dr=1.33 t=49450.0ps kin=1.49 pot=20.27 Rg=6.470 SPS=698
bl=4746 pos[1]=[-17.1 -23.4 -9.6] dr=1.36 t=49460.0ps kin=1.51 pot=20.25 Rg=6.511 SPS=867
bl=4747 pos[1]=[-17.4 -22.4 -7.8] dr=1.29 t=49470.0ps kin=1.49 pot=20.23 Rg=6.444 SPS=788
bl=4748 pos[1]=[-17.3 -21.6 -5.7] dr=1.40 t=49480.0ps kin=1.50 pot=20.28 Rg=6.504 SPS=1199
bl=4749 pos[1]=[-18.5 -21.5 -8.7] dr=1.33 t=49490.0ps kin=1.52 pot=20.19 Rg=6.392 SPS=1123
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-13.07456298 -15.93645701 -14.40706208] Rg = 6.3924966
median bond size is 0.963765409394056
three shortest/longest (<10)/ bonds are [0.86655386 0.88912403 0.89274451] [1.0762407 1.08041724 1.08389493]
95 percentile of distance to center is: 9.038630302814918
density of closest 95% monomers is: 0.41647296583715077
density of the core monomers is: 0.7803067477808036
min/median/mean/max coordinates are:
x: -21.38, -13.01, -13.07, -4.76
y: -25.45, -15.94, -15.94, -6.02
z: -22.52, -14.48, -14.41, -5.85
Statistics for velocities:
mean kinetic energy is: 1.5180333265801325 should be: 1.5
fastest particles are (in kT): [6.44438008 6.57477518 6.71863303 7.08030204 7.21304047]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.185140694137168
bl=4750 pos[1]=[-19.5 -21.6 -7.9] dr=1.36 t=49500.0ps kin=1.52 pot=20.23 Rg=6.485 SPS=835
bl=4751 pos[1]=[-17.8 -19.3 -8.8] dr=1.33 t=49510.0ps kin=1.49 pot=20.26 Rg=6.387 SPS=1087
bl=4752 pos[1]=[-18.8 -20.0 -11.4] dr=1.29 t=49520.0ps kin=1.49 pot=20.29 Rg=6.453 SPS=1362
bl=4753 pos[1]=[-19.3 -19.6 -10.2] dr=1.32 t=49530.0ps kin=1.55 pot=20.19 Rg=6.360 SPS=1358
bl=4754 pos[1]=[-18.5 -19.0 -8.9] dr=1.38 t=49540.0ps kin=1.48 pot=20.24 Rg=6.356 SPS=1295
bl=4755 pos[1]=[-19.0 -18.6 -7.3] dr=1.32 t=49550.0ps kin=1.54 pot=20.28 Rg=6.405 SPS=1304
bl=4756 pos[1]=[-18.8 -20.4 -6.4] dr=1.32 t=49560.0ps kin=1.46 pot=20.28 Rg=6.445 SPS=823
bl=4757 pos[1]=[-18.0 -19.4 -7.7] dr=1.31 t=49570.0ps kin=1.52 pot=20.27 Rg=6.377 SPS=1120
bl=4758 pos[1]=[-17.4 -18.3 -6.4] dr=1.35 t=49580.0ps kin=1.52 pot=20.21 Rg=6.412 SPS=1030
bl=4759 pos[1]=[-17.5 -16.9 -5.8] dr=1.32 t=49590.0ps kin=1.49 pot=20.23 Rg=6.458 SPS=731
bl=4760 pos[1]=[-16.2 -19.3 -5.9] dr=1.33 t=49600.0ps kin=1.47 pot=20.24 Rg=6.444 SPS=1222
bl=4761 pos[1]=[-19.3 -18.9 -7.7] dr=1.39 t=49610.0ps kin=1.46 pot=20.21 Rg=6.434 SPS=1155
bl=4762 pos[1]=[-20.0 -20.9 -6.3] dr=1.32 t=49620.0ps kin=1.52 pot=20.27 Rg=6.432 SPS=848
bl=4763 pos[1]=[-16.7 -20.7 -7.0] dr=1.33 t=49630.0ps kin=1.55 pot=20.29 Rg=6.448 SPS=769
bl=4764 pos[1]=[-16.2 -19.3 -5.6] dr=1.36 t=49640.0ps kin=1.55 pot=20.32 Rg=6.446 SPS=1046
bl=4765 pos[1]=[-15.6 -20.7 -8.3] dr=1.39 t=49650.0ps kin=1.49 pot=20.31 Rg=6.421 SPS=1204
bl=4766 pos[1]=[-18.0 -19.1 -8.7] dr=1.33 t=49660.0ps kin=1.50 pot=20.30 Rg=6.520 SPS=1066
bl=4767 pos[1]=[-19.3 -20.0 -9.0] dr=1.37 t=49670.0ps kin=1.51 pot=20.27 Rg=6.510 SPS=1413
bl=4768 pos[1]=[-16.7 -20.8 -8.2] dr=1.37 t=49680.0ps kin=1.50 pot=20.28 Rg=6.498 SPS=1190
bl=4769 pos[1]=[-17.2 -20.0 -8.0] dr=1.34 t=49690.0ps kin=1.51 pot=20.26 Rg=6.569 SPS=1401
bl=4770 pos[1]=[-17.2 -20.2 -10.2] dr=1.34 t=49700.0ps kin=1.47 pot=20.24 Rg=6.459 SPS=1196
bl=4771 pos[1]=[-16.4 -21.6 -11.1] dr=1.37 t=49710.0ps kin=1.50 pot=20.26 Rg=6.552 SPS=1386
bl=4772 pos[1]=[-15.5 -22.6 -10.8] dr=1.36 t=49720.0ps kin=1.50 pot=20.25 Rg=6.563 SPS=1369
bl=4773 pos[1]=[-15.6 -20.0 -8.6] dr=1.36 t=49730.0ps kin=1.55 pot=20.23 Rg=6.483 SPS=1400
bl=4774 pos[1]=[-15.9 -18.5 -6.5] dr=1.33 t=49740.0ps kin=1.53 pot=20.26 Rg=6.602 SPS=1419
bl=4775 pos[1]=[-18.0 -18.7 -7.4] dr=1.33 t=49750.0ps kin=1.53 pot=20.30 Rg=6.569 SPS=1344
bl=4776 pos[1]=[-16.3 -20.9 -9.5] dr=1.39 t=49760.0ps kin=1.51 pot=20.29 Rg=6.608 SPS=1396
bl=4777 pos[1]=[-15.7 -19.6 -11.0] dr=1.44 t=49770.0ps kin=1.50 pot=20.25 Rg=6.480 SPS=1373
bl=4778 pos[1]=[-13.6 -22.0 -9.6] dr=1.35 t=49780.0ps kin=1.52 pot=20.25 Rg=6.527 SPS=1393
bl=4779 pos[1]=[-15.1 -23.2 -10.2] dr=1.34 t=49790.0ps kin=1.48 pot=20.29 Rg=6.509 SPS=1364
bl=4780 pos[1]=[-15.9 -21.1 -11.3] dr=1.38 t=49800.0ps kin=1.51 pot=20.26 Rg=6.435 SPS=1391
bl=4781 pos[1]=[-15.6 -22.5 -10.6] dr=1.31 t=49810.0ps kin=1.50 pot=20.29 Rg=6.512 SPS=1387
bl=4782 pos[1]=[-17.1 -20.7 -10.8] dr=1.30 t=49820.0ps kin=1.51 pot=20.24 Rg=6.401 SPS=1221
bl=4783 pos[1]=[-20.5 -22.9 -12.9] dr=1.38 t=49830.0ps kin=1.56 pot=20.25 Rg=6.433 SPS=1123
bl=4784 pos[1]=[-18.9 -22.8 -14.3] dr=1.38 t=49840.0ps kin=1.50 pot=20.23 Rg=6.489 SPS=781
bl=4785 pos[1]=[-17.6 -22.8 -14.5] dr=1.32 t=49850.0ps kin=1.45 pot=20.25 Rg=6.469 SPS=1108
bl=4786 pos[1]=[-17.9 -21.4 -14.7] dr=1.33 t=49860.0ps kin=1.49 pot=20.23 Rg=6.495 SPS=775
bl=4787 pos[1]=[-16.9 -23.0 -13.2] dr=1.34 t=49870.0ps kin=1.44 pot=20.24 Rg=6.581 SPS=1235
bl=4788 pos[1]=[-16.5 -21.8 -10.8] dr=1.40 t=49880.0ps kin=1.50 pot=20.30 Rg=6.615 SPS=983
bl=4789 pos[1]=[-16.8 -21.4 -10.9] dr=1.44 t=49890.0ps kin=1.54 pot=20.33 Rg=6.508 SPS=1002
bl=4790 pos[1]=[-20.0 -22.3 -6.2] dr=1.37 t=49900.0ps kin=1.53 pot=20.33 Rg=6.508 SPS=1072
bl=4791 pos[1]=[-19.6 -18.2 -7.2] dr=1.37 t=49910.0ps kin=1.47 pot=20.28 Rg=6.489 SPS=1001
bl=4792 pos[1]=[-16.1 -18.6 -6.3] dr=1.36 t=49920.0ps kin=1.50 pot=20.24 Rg=6.449 SPS=1044
bl=4793 pos[1]=[-16.8 -20.5 -8.1] dr=1.32 t=49930.0ps kin=1.47 pot=20.28 Rg=6.456 SPS=925
bl=4794 pos[1]=[-16.4 -22.2 -8.2] dr=1.30 t=49940.0ps kin=1.49 pot=20.31 Rg=6.502 SPS=1008
bl=4795 pos[1]=[-16.0 -21.1 -8.8] dr=1.36 t=49950.0ps kin=1.48 pot=20.25 Rg=6.516 SPS=1071
bl=4796 pos[1]=[-19.6 -19.0 -8.4] dr=1.38 t=49960.0ps kin=1.51 pot=20.19 Rg=6.424 SPS=1010
bl=4797 pos[1]=[-18.4 -21.5 -8.7] dr=1.25 t=49970.0ps kin=1.43 pot=20.22 Rg=6.420 SPS=1075
bl=4798 pos[1]=[-18.6 -22.4 -8.1] dr=1.34 t=49980.0ps kin=1.47 pot=20.30 Rg=6.471 SPS=1070
bl=4799 pos[1]=[-18.0 -22.9 -11.7] dr=1.36 t=49990.0ps kin=1.46 pot=20.26 Rg=6.483 SPS=776
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.85444013 -17.29077888 -14.70174721] Rg = 6.483394
median bond size is 0.9651288678164122
three shortest/longest (<10)/ bonds are [0.88270323 0.8904519 0.89306141] [1.08591866 1.09050756 1.09687422]
95 percentile of distance to center is: 8.973142051268015
density of closest 95% monomers is: 0.425658251301168
density of the core monomers is: 0.6544101977268713
min/median/mean/max coordinates are:
x: -22.42, -11.75, -11.85, -2.41
y: -25.95, -17.39, -17.29, -7.48
z: -23.52, -14.95, -14.70, -3.97
Statistics for velocities:
mean kinetic energy is: 1.4661433059661964 should be: 1.5
fastest particles are (in kT): [6.93147411 6.9554015 7.10486235 7.70059636 8.67482365]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.25938248985988
bl=4800 pos[1]=[-19.4 -22.2 -10.9] dr=1.29 t=50000.0ps kin=1.54 pot=20.17 Rg=6.409 SPS=743
bl=4801 pos[1]=[-16.8 -22.1 -10.9] dr=1.36 t=50010.0ps kin=1.48 pot=20.24 Rg=6.456 SPS=1294
bl=4802 pos[1]=[-18.9 -23.5 -12.7] dr=1.32 t=50020.0ps kin=1.51 pot=20.31 Rg=6.545 SPS=1327
bl=4803 pos[1]=[-15.3 -23.2 -15.5] dr=1.33 t=50030.0ps kin=1.50 pot=20.31 Rg=6.532 SPS=1369
bl=4804 pos[1]=[-17.9 -22.1 -14.5] dr=1.40 t=50040.0ps kin=1.48 pot=20.25 Rg=6.443 SPS=1361
bl=4805 pos[1]=[-17.1 -21.3 -14.2] dr=1.34 t=50050.0ps kin=1.55 pot=20.24 Rg=6.385 SPS=1353
bl=4806 pos[1]=[-15.9 -23.4 -14.4] dr=1.40 t=50060.0ps kin=1.51 pot=20.24 Rg=6.431 SPS=1183
bl=4807 pos[1]=[-15.6 -23.4 -13.1] dr=1.29 t=50070.0ps kin=1.51 pot=20.17 Rg=6.466 SPS=1280
bl=4808 pos[1]=[-17.3 -24.6 -11.5] dr=1.30 t=50080.0ps kin=1.51 pot=20.22 Rg=6.456 SPS=1121
bl=4809 pos[1]=[-16.0 -24.3 -11.0] dr=1.27 t=50090.0ps kin=1.45 pot=20.25 Rg=6.460 SPS=814
bl=4810 pos[1]=[-16.4 -23.0 -10.9] dr=1.32 t=50100.0ps kin=1.53 pot=20.24 Rg=6.432 SPS=1226
bl=4811 pos[1]=[-13.6 -22.8 -11.1] dr=1.39 t=50110.0ps kin=1.54 pot=20.23 Rg=6.443 SPS=1283
bl=4812 pos[1]=[-12.0 -22.0 -12.2] dr=1.35 t=50120.0ps kin=1.49 pot=20.25 Rg=6.464 SPS=1083
bl=4813 pos[1]=[-13.1 -22.0 -12.7] dr=1.36 t=50130.0ps kin=1.53 pot=20.21 Rg=6.512 SPS=721
bl=4814 pos[1]=[-12.2 -21.5 -12.5] dr=1.34 t=50140.0ps kin=1.47 pot=20.20 Rg=6.437 SPS=1083
bl=4815 pos[1]=[-12.6 -24.7 -12.9] dr=1.33 t=50150.0ps kin=1.52 pot=20.22 Rg=6.490 SPS=1167
bl=4816 pos[1]=[-11.7 -25.6 -14.0] dr=1.36 t=50160.0ps kin=1.51 pot=20.21 Rg=6.480 SPS=1120
bl=4817 pos[1]=[-11.2 -26.6 -13.7] dr=1.32 t=50170.0ps kin=1.50 pot=20.22 Rg=6.565 SPS=956
bl=4818 pos[1]=[-11.9 -26.0 -10.2] dr=1.34 t=50180.0ps kin=1.55 pot=20.29 Rg=6.533 SPS=818
bl=4819 pos[1]=[-12.9 -26.8 -10.8] dr=1.32 t=50190.0ps kin=1.48 pot=20.24 Rg=6.530 SPS=951
bl=4820 pos[1]=[-12.6 -25.1 -11.3] dr=1.29 t=50200.0ps kin=1.49 pot=20.18 Rg=6.490 SPS=1104
bl=4821 pos[1]=[-11.5 -26.2 -11.9] dr=1.34 t=50210.0ps kin=1.47 pot=20.20 Rg=6.546 SPS=1339
bl=4822 pos[1]=[-12.0 -26.7 -10.5] dr=1.31 t=50220.0ps kin=1.53 pot=20.25 Rg=6.522 SPS=1310
bl=4823 pos[1]=[-12.8 -27.7 -9.5] dr=1.36 t=50230.0ps kin=1.48 pot=20.21 Rg=6.607 SPS=1107
bl=4824 pos[1]=[-13.1 -26.7 -9.8] dr=1.34 t=50240.0ps kin=1.48 pot=20.25 Rg=6.526 SPS=1057
bl=4825 pos[1]=[-13.3 -25.8 -10.0] dr=1.36 t=50250.0ps kin=1.50 pot=20.23 Rg=6.508 SPS=1188
bl=4826 pos[1]=[-14.1 -25.5 -9.3] dr=1.32 t=50260.0ps kin=1.46 pot=20.26 Rg=6.556 SPS=1037
bl=4827 pos[1]=[-13.6 -23.5 -7.8] dr=1.27 t=50270.0ps kin=1.53 pot=20.29 Rg=6.523 SPS=1341
bl=4828 pos[1]=[-11.8 -21.3 -6.5] dr=1.32 t=50280.0ps kin=1.51 pot=20.26 Rg=6.490 SPS=1331
bl=4829 pos[1]=[-12.8 -18.8 -6.0] dr=1.36 t=50290.0ps kin=1.51 pot=20.21 Rg=6.485 SPS=678
bl=4830 pos[1]=[-12.4 -21.5 -7.0] dr=1.37 t=50300.0ps kin=1.54 pot=20.27 Rg=6.461 SPS=1031
bl=4831 pos[1]=[-15.0 -22.0 -7.3] dr=1.38 t=50310.0ps kin=1.53 pot=20.24 Rg=6.476 SPS=1133
bl=4832 pos[1]=[-12.9 -22.3 -7.4] dr=1.30 t=50320.0ps kin=1.49 pot=20.26 Rg=6.462 SPS=998
bl=4833 pos[1]=[-12.6 -23.3 -7.1] dr=1.33 t=50330.0ps kin=1.45 pot=20.27 Rg=6.471 SPS=1146
bl=4834 pos[1]=[-12.4 -22.8 -7.5] dr=1.32 t=50340.0ps kin=1.52 pot=20.19 Rg=6.385 SPS=1327
bl=4835 pos[1]=[-12.7 -20.9 -6.3] dr=1.34 t=50350.0ps kin=1.52 pot=20.23 Rg=6.391 SPS=1309
bl=4836 pos[1]=[-12.1 -23.1 -6.2] dr=1.28 t=50360.0ps kin=1.49 pot=20.23 Rg=6.378 SPS=1320
bl=4837 pos[1]=[-11.6 -23.9 -8.5] dr=1.31 t=50370.0ps kin=1.53 pot=20.29 Rg=6.465 SPS=1312
bl=4838 pos[1]=[-11.7 -24.0 -9.0] dr=1.32 t=50380.0ps kin=1.51 pot=20.30 Rg=6.481 SPS=1349
bl=4839 pos[1]=[-13.2 -23.1 -9.5] dr=1.30 t=50390.0ps kin=1.53 pot=20.23 Rg=6.377 SPS=1325
bl=4840 pos[1]=[-12.5 -22.3 -9.6] dr=1.34 t=50400.0ps kin=1.48 pot=20.24 Rg=6.387 SPS=1300
bl=4841 pos[1]=[-13.5 -22.5 -7.2] dr=1.32 t=50410.0ps kin=1.48 pot=20.22 Rg=6.384 SPS=1316
bl=4842 pos[1]=[-14.0 -22.6 -5.3] dr=1.39 t=50420.0ps kin=1.46 pot=20.25 Rg=6.435 SPS=1307
bl=4843 pos[1]=[-12.7 -21.3 -5.6] dr=1.36 t=50430.0ps kin=1.51 pot=20.24 Rg=6.377 SPS=1306
bl=4844 pos[1]=[-12.4 -20.0 -5.0] dr=1.28 t=50440.0ps kin=1.51 pot=20.18 Rg=6.425 SPS=1337
bl=4845 pos[1]=[-9.9 -20.2 -4.4] dr=1.38 t=50450.0ps kin=1.48 pot=20.23 Rg=6.500 SPS=1293
bl=4846 pos[1]=[-10.8 -17.0 -4.8] dr=1.36 t=50460.0ps kin=1.48 pot=20.20 Rg=6.366 SPS=1316
bl=4847 pos[1]=[-8.8 -19.4 -5.5] dr=1.33 t=50470.0ps kin=1.49 pot=20.22 Rg=6.403 SPS=1304
bl=4848 pos[1]=[-8.8 -21.8 -5.3] dr=1.32 t=50480.0ps kin=1.49 pot=20.25 Rg=6.465 SPS=1330
bl=4849 pos[1]=[-8.5 -20.9 -5.4] dr=1.32 t=50490.0ps kin=1.57 pot=20.21 Rg=6.337 SPS=1316
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.79394495 -18.38830516 -13.55304682] Rg = 6.337124
median bond size is 0.9665665384525438
three shortest/longest (<10)/ bonds are [0.87632674 0.88450464 0.88636963] [1.07462806 1.0867713 1.09775857]
95 percentile of distance to center is: 8.847367943703917
density of closest 95% monomers is: 0.44407100592955046
density of the core monomers is: 0.7481740650872571
min/median/mean/max coordinates are:
x: -20.21, -11.77, -11.79, -3.75
y: -28.87, -18.32, -18.39, -9.32
z: -22.76, -13.58, -13.55, -5.18
Statistics for velocities:
mean kinetic energy is: 1.5744524912028843 should be: 1.5
fastest particles are (in kT): [6.78759926 6.87926592 7.22396284 7.34284781 7.53876204]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.20973192063053
bl=4850 pos[1]=[-10.8 -20.6 -4.3] dr=1.31 t=50500.0ps kin=1.48 pot=20.27 Rg=6.455 SPS=1288
bl=4851 pos[1]=[-10.3 -16.8 -4.6] dr=1.36 t=50510.0ps kin=1.52 pot=20.27 Rg=6.429 SPS=1336
bl=4852 pos[1]=[-11.0 -18.4 -4.7] dr=1.32 t=50520.0ps kin=1.52 pot=20.30 Rg=6.511 SPS=1332
bl=4853 pos[1]=[-11.1 -19.7 -6.5] dr=1.33 t=50530.0ps kin=1.57 pot=20.29 Rg=6.486 SPS=1311
bl=4854 pos[1]=[-12.9 -19.1 -7.1] dr=1.34 t=50540.0ps kin=1.57 pot=20.28 Rg=6.453 SPS=1327
bl=4855 pos[1]=[-13.6 -19.2 -8.3] dr=1.33 t=50550.0ps kin=1.55 pot=20.22 Rg=6.399 SPS=1299
bl=4856 pos[1]=[-14.4 -19.6 -6.4] dr=1.32 t=50560.0ps kin=1.51 pot=20.20 Rg=6.379 SPS=1307
bl=4857 pos[1]=[-16.1 -20.7 -7.2] dr=1.34 t=50570.0ps kin=1.49 pot=20.22 Rg=6.439 SPS=1237
bl=4858 pos[1]=[-17.1 -21.8 -6.7] dr=1.34 t=50580.0ps kin=1.47 pot=20.18 Rg=6.444 SPS=1319
bl=4859 pos[1]=[-18.3 -21.5 -6.7] dr=1.29 t=50590.0ps kin=1.49 pot=20.18 Rg=6.411 SPS=1322
bl=4860 pos[1]=[-17.5 -22.2 -7.6] dr=1.31 t=50600.0ps kin=1.50 pot=20.24 Rg=6.468 SPS=1303
bl=4861 pos[1]=[-15.6 -21.7 -9.6] dr=1.33 t=50610.0ps kin=1.50 pot=20.22 Rg=6.535 SPS=1338
bl=4862 pos[1]=[-14.7 -23.8 -9.4] dr=1.42 t=50620.0ps kin=1.51 pot=20.28 Rg=6.540 SPS=1308
bl=4863 pos[1]=[-15.0 -25.1 -8.6] dr=1.34 t=50630.0ps kin=1.51 pot=20.21 Rg=6.513 SPS=1354
bl=4864 pos[1]=[-15.7 -25.1 -8.9] dr=1.34 t=50640.0ps kin=1.51 pot=20.23 Rg=6.599 SPS=1324
bl=4865 pos[1]=[-17.9 -25.2 -9.6] dr=1.36 t=50650.0ps kin=1.45 pot=20.22 Rg=6.474 SPS=1066
bl=4866 pos[1]=[-16.7 -26.2 -10.4] dr=1.32 t=50660.0ps kin=1.47 pot=20.14 Rg=6.368 SPS=719
bl=4867 pos[1]=[-15.3 -24.0 -11.6] dr=1.33 t=50670.0ps kin=1.55 pot=20.21 Rg=6.424 SPS=984
bl=4868 pos[1]=[-14.0 -24.2 -9.9] dr=1.37 t=50680.0ps kin=1.53 pot=20.24 Rg=6.475 SPS=1277
bl=4869 pos[1]=[-12.3 -24.1 -8.8] dr=1.38 t=50690.0ps kin=1.52 pot=20.22 Rg=6.487 SPS=936
bl=4870 pos[1]=[-12.7 -22.4 -7.9] dr=1.40 t=50700.0ps kin=1.50 pot=20.26 Rg=6.497 SPS=702
bl=4871 pos[1]=[-11.8 -22.8 -7.7] dr=1.38 t=50710.0ps kin=1.52 pot=20.25 Rg=6.596 SPS=1094
bl=4872 pos[1]=[-13.2 -22.3 -6.6] dr=1.37 t=50720.0ps kin=1.52 pot=20.17 Rg=6.413 SPS=793
bl=4873 pos[1]=[-11.6 -22.6 -5.5] dr=1.33 t=50730.0ps kin=1.54 pot=20.20 Rg=6.461 SPS=1307
bl=4874 pos[1]=[-11.5 -25.4 -8.2] dr=1.32 t=50740.0ps kin=1.52 pot=20.24 Rg=6.537 SPS=1318
bl=4875 pos[1]=[-9.4 -26.0 -9.9] dr=1.39 t=50750.0ps kin=1.51 pot=20.26 Rg=6.547 SPS=1338
bl=4876 pos[1]=[-11.7 -25.9 -10.6] dr=1.40 t=50760.0ps kin=1.57 pot=20.27 Rg=6.533 SPS=1318
bl=4877 pos[1]=[-14.4 -25.0 -10.4] dr=1.31 t=50770.0ps kin=1.47 pot=20.23 Rg=6.536 SPS=1312
bl=4878 pos[1]=[-12.0 -25.3 -9.0] dr=1.30 t=50780.0ps kin=1.53 pot=20.29 Rg=6.517 SPS=1318
bl=4879 pos[1]=[-14.0 -24.6 -9.6] dr=1.31 t=50790.0ps kin=1.58 pot=20.24 Rg=6.503 SPS=1278
bl=4880 pos[1]=[-12.0 -22.2 -11.4] dr=1.39 t=50800.0ps kin=1.54 pot=20.25 Rg=6.416 SPS=1285
bl=4881 pos[1]=[-12.8 -23.5 -11.4] dr=1.34 t=50810.0ps kin=1.53 pot=20.21 Rg=6.442 SPS=1294
bl=4882 pos[1]=[-11.6 -24.4 -9.5] dr=1.30 t=50820.0ps kin=1.50 pot=20.21 Rg=6.551 SPS=1126
bl=4883 pos[1]=[-10.0 -23.9 -9.5] dr=1.33 t=50830.0ps kin=1.55 pot=20.28 Rg=6.605 SPS=1215
bl=4884 pos[1]=[-11.5 -24.4 -8.1] dr=1.30 t=50840.0ps kin=1.49 pot=20.25 Rg=6.624 SPS=1263
bl=4885 pos[1]=[-13.1 -25.2 -6.7] dr=1.32 t=50850.0ps kin=1.49 pot=20.26 Rg=6.494 SPS=947
bl=4886 pos[1]=[-12.5 -23.0 -5.9] dr=1.28 t=50860.0ps kin=1.49 pot=20.16 Rg=6.487 SPS=1144
bl=4887 pos[1]=[-13.0 -22.6 -6.0] dr=1.35 t=50870.0ps kin=1.51 pot=20.21 Rg=6.430 SPS=1007
bl=4888 pos[1]=[-13.5 -23.6 -8.1] dr=1.34 t=50880.0ps kin=1.52 pot=20.29 Rg=6.508 SPS=982
bl=4889 pos[1]=[-15.2 -23.9 -9.5] dr=1.36 t=50890.0ps kin=1.49 pot=20.25 Rg=6.496 SPS=894
bl=4890 pos[1]=[-13.2 -23.3 -7.9] dr=1.37 t=50900.0ps kin=1.52 pot=20.27 Rg=6.530 SPS=1161
bl=4891 pos[1]=[-11.7 -23.4 -10.4] dr=1.36 t=50910.0ps kin=1.48 pot=20.28 Rg=6.472 SPS=1293
bl=4892 pos[1]=[-10.7 -22.5 -9.5] dr=1.34 t=50920.0ps kin=1.53 pot=20.32 Rg=6.476 SPS=1056
bl=4893 pos[1]=[-9.5 -21.2 -8.9] dr=1.37 t=50930.0ps kin=1.57 pot=20.26 Rg=6.477 SPS=1226
bl=4894 pos[1]=[-9.9 -23.8 -9.2] dr=1.39 t=50940.0ps kin=1.56 pot=20.23 Rg=6.518 SPS=819
bl=4895 pos[1]=[-8.5 -24.3 -10.4] dr=1.33 t=50950.0ps kin=1.53 pot=20.22 Rg=6.561 SPS=1005
bl=4896 pos[1]=[-9.2 -22.9 -8.4] dr=1.32 t=50960.0ps kin=1.49 pot=20.27 Rg=6.548 SPS=751
bl=4897 pos[1]=[-9.2 -23.9 -10.0] dr=1.33 t=50970.0ps kin=1.54 pot=20.32 Rg=6.559 SPS=1324
bl=4898 pos[1]=[-12.1 -22.9 -7.6] dr=1.32 t=50980.0ps kin=1.54 pot=20.31 Rg=6.677 SPS=1005
bl=4899 pos[1]=[-12.9 -22.7 -8.9] dr=1.35 t=50990.0ps kin=1.51 pot=20.24 Rg=6.577 SPS=1168
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.52791198 -18.0914493 -13.37593994] Rg = 6.57706
median bond size is 0.965564290966211
three shortest/longest (<10)/ bonds are [0.88357476 0.88666377 0.88799761] [1.09378353 1.09848659 1.10418668]
95 percentile of distance to center is: 9.316550582081348
density of closest 95% monomers is: 0.3803025582658695
density of the core monomers is: 0.7766136876822666
min/median/mean/max coordinates are:
x: -21.73, -11.59, -11.53, -0.77
y: -28.87, -17.95, -18.09, -9.85
z: -21.79, -13.31, -13.38, -5.02
Statistics for velocities:
mean kinetic energy is: 1.508123640919425 should be: 1.5
fastest particles are (in kT): [6.82341493 7.14786896 7.22291386 7.23047795 7.96116031]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.242587919432154
bl=4900 pos[1]=[-11.7 -22.2 -9.6] dr=1.38 t=51000.0ps kin=1.53 pot=20.22 Rg=6.574 SPS=712
bl=4901 pos[1]=[-11.9 -22.7 -9.9] dr=1.32 t=51010.0ps kin=1.50 pot=20.27 Rg=6.600 SPS=784
bl=4902 pos[1]=[-11.3 -23.1 -11.0] dr=1.30 t=51020.0ps kin=1.50 pot=20.28 Rg=6.673 SPS=1056
bl=4903 pos[1]=[-11.3 -23.9 -12.6] dr=1.36 t=51030.0ps kin=1.52 pot=20.29 Rg=6.664 SPS=879
bl=4904 pos[1]=[-12.2 -24.5 -11.4] dr=1.39 t=51040.0ps kin=1.54 pot=20.22 Rg=6.585 SPS=1004
bl=4905 pos[1]=[-12.1 -23.0 -9.1] dr=1.40 t=51050.0ps kin=1.55 pot=20.31 Rg=6.667 SPS=909
bl=4906 pos[1]=[-12.5 -22.5 -8.9] dr=1.39 t=51060.0ps kin=1.47 pot=20.27 Rg=6.609 SPS=1178
bl=4907 pos[1]=[-12.2 -22.2 -7.6] dr=1.34 t=51070.0ps kin=1.50 pot=20.26 Rg=6.573 SPS=1197
bl=4908 pos[1]=[-13.9 -21.1 -6.2] dr=1.34 t=51080.0ps kin=1.55 pot=20.19 Rg=6.474 SPS=1119
bl=4909 pos[1]=[-15.3 -22.0 -7.5] dr=1.38 t=51090.0ps kin=1.48 pot=20.28 Rg=6.426 SPS=967
bl=4910 pos[1]=[-16.9 -22.3 -9.7] dr=1.35 t=51100.0ps kin=1.54 pot=20.28 Rg=6.510 SPS=1280
bl=4911 pos[1]=[-16.1 -22.1 -9.7] dr=1.37 t=51110.0ps kin=1.47 pot=20.26 Rg=6.463 SPS=1332
bl=4912 pos[1]=[-16.2 -21.9 -9.9] dr=1.39 t=51120.0ps kin=1.51 pot=20.30 Rg=6.458 SPS=1330
bl=4913 pos[1]=[-15.5 -20.9 -9.8] dr=1.37 t=51130.0ps kin=1.48 pot=20.28 Rg=6.416 SPS=1344
bl=4914 pos[1]=[-16.5 -22.0 -9.6] dr=1.29 t=51140.0ps kin=1.49 pot=20.23 Rg=6.447 SPS=1296
bl=4915 pos[1]=[-15.4 -22.9 -8.2] dr=1.38 t=51150.0ps kin=1.53 pot=20.22 Rg=6.480 SPS=1318
bl=4916 pos[1]=[-16.7 -23.6 -8.6] dr=1.38 t=51160.0ps kin=1.49 pot=20.27 Rg=6.480 SPS=1320
bl=4917 pos[1]=[-14.7 -24.4 -7.2] dr=1.41 t=51170.0ps kin=1.49 pot=20.26 Rg=6.522 SPS=1336
bl=4918 pos[1]=[-14.2 -23.6 -6.6] dr=1.36 t=51180.0ps kin=1.54 pot=20.33 Rg=6.577 SPS=1370
bl=4919 pos[1]=[-14.3 -24.1 -9.3] dr=1.45 t=51190.0ps kin=1.52 pot=20.30 Rg=6.574 SPS=1380
bl=4920 pos[1]=[-12.8 -27.4 -11.9] dr=1.35 t=51200.0ps kin=1.50 pot=20.30 Rg=6.596 SPS=1332
bl=4921 pos[1]=[-14.1 -24.9 -11.3] dr=1.35 t=51210.0ps kin=1.47 pot=20.29 Rg=6.575 SPS=1318
bl=4922 pos[1]=[-14.9 -25.2 -7.7] dr=1.33 t=51220.0ps kin=1.54 pot=20.24 Rg=6.517 SPS=1326
bl=4923 pos[1]=[-16.5 -24.7 -8.9] dr=1.38 t=51230.0ps kin=1.51 pot=20.19 Rg=6.455 SPS=1320
bl=4924 pos[1]=[-15.3 -22.4 -8.2] dr=1.34 t=51240.0ps kin=1.54 pot=20.18 Rg=6.369 SPS=991
bl=4925 pos[1]=[-14.5 -21.7 -9.9] dr=1.35 t=51250.0ps kin=1.50 pot=20.21 Rg=6.430 SPS=1013
bl=4926 pos[1]=[-14.7 -20.2 -10.2] dr=1.37 t=51260.0ps kin=1.46 pot=20.21 Rg=6.427 SPS=976
bl=4927 pos[1]=[-14.9 -19.9 -11.5] dr=1.31 t=51270.0ps kin=1.45 pot=20.21 Rg=6.435 SPS=786
bl=4928 pos[1]=[-15.7 -19.0 -11.9] dr=1.33 t=51280.0ps kin=1.48 pot=20.17 Rg=6.386 SPS=1011
bl=4929 pos[1]=[-13.7 -20.1 -12.0] dr=1.32 t=51290.0ps kin=1.51 pot=20.25 Rg=6.426 SPS=1000
bl=4930 pos[1]=[-14.3 -20.0 -11.2] dr=1.36 t=51300.0ps kin=1.48 pot=20.23 Rg=6.406 SPS=797
bl=4931 pos[1]=[-13.6 -18.8 -10.1] dr=1.28 t=51310.0ps kin=1.51 pot=20.21 Rg=6.296 SPS=1329
bl=4932 pos[1]=[-13.6 -19.1 -9.5] dr=1.29 t=51320.0ps kin=1.51 pot=20.22 Rg=6.291 SPS=1298
bl=4933 pos[1]=[-15.0 -18.6 -8.9] dr=1.32 t=51330.0ps kin=1.54 pot=20.20 Rg=6.323 SPS=1313
bl=4934 pos[1]=[-15.9 -19.7 -8.8] dr=1.35 t=51340.0ps kin=1.45 pot=20.17 Rg=6.346 SPS=1129
bl=4935 pos[1]=[-14.8 -19.1 -8.4] dr=1.26 t=51350.0ps kin=1.45 pot=20.18 Rg=6.325 SPS=664
bl=4936 pos[1]=[-14.7 -21.2 -8.4] dr=1.32 t=51360.0ps kin=1.48 pot=20.21 Rg=6.336 SPS=1003
bl=4937 pos[1]=[-16.0 -19.7 -8.7] dr=1.30 t=51370.0ps kin=1.50 pot=20.19 Rg=6.349 SPS=1041
bl=4938 pos[1]=[-17.3 -21.2 -9.3] dr=1.27 t=51380.0ps kin=1.50 pot=20.24 Rg=6.393 SPS=680
bl=4939 pos[1]=[-16.5 -23.3 -9.0] dr=1.30 t=51390.0ps kin=1.50 pot=20.27 Rg=6.411 SPS=691
bl=4940 pos[1]=[-16.1 -22.8 -9.4] dr=1.33 t=51400.0ps kin=1.52 pot=20.25 Rg=6.443 SPS=705
bl=4941 pos[1]=[-15.9 -21.9 -9.5] dr=1.35 t=51410.0ps kin=1.52 pot=20.31 Rg=6.437 SPS=662
bl=4942 pos[1]=[-14.4 -21.2 -8.7] dr=1.31 t=51420.0ps kin=1.57 pot=20.25 Rg=6.403 SPS=1269
bl=4943 pos[1]=[-16.3 -20.5 -8.8] dr=1.37 t=51430.0ps kin=1.57 pot=20.29 Rg=6.444 SPS=1328
bl=4944 pos[1]=[-16.7 -18.5 -8.6] dr=1.32 t=51440.0ps kin=1.49 pot=20.28 Rg=6.426 SPS=1327
bl=4945 pos[1]=[-19.0 -20.5 -8.1] dr=1.31 t=51450.0ps kin=1.52 pot=20.26 Rg=6.449 SPS=1335
bl=4946 pos[1]=[-18.4 -19.7 -9.8] dr=1.34 t=51460.0ps kin=1.64 pot=20.22 Rg=6.392 SPS=1306
bl=4947 pos[1]=[-18.8 -20.5 -10.1] dr=1.34 t=51470.0ps kin=1.47 pot=20.25 Rg=6.480 SPS=1314
bl=4948 pos[1]=[-19.4 -21.8 -11.6] dr=1.31 t=51480.0ps kin=1.46 pot=20.18 Rg=6.430 SPS=1314
bl=4949 pos[1]=[-18.2 -22.9 -12.3] dr=1.31 t=51490.0ps kin=1.47 pot=20.21 Rg=6.427 SPS=1278
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-11.82652787 -18.66941803 -13.49245642] Rg = 6.427306
median bond size is 0.9669370680793862
three shortest/longest (<10)/ bonds are [0.88188626 0.88321295 0.88386436] [1.05696978 1.06064295 1.06541848]
95 percentile of distance to center is: 8.962497093618792
density of closest 95% monomers is: 0.42717674481250256
density of the core monomers is: 0.7076781084506968
min/median/mean/max coordinates are:
x: -21.80, -11.71, -11.83, -3.12
y: -27.74, -18.56, -18.67, -10.13
z: -22.04, -13.58, -13.49, -5.15
Statistics for velocities:
mean kinetic energy is: 1.4717429228716155 should be: 1.5
fastest particles are (in kT): [7.03011058 7.70893124 8.53873823 9.88002471 9.92791286]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.20548718657817
bl=4950 pos[1]=[-19.0 -23.8 -10.7] dr=1.36 t=51500.0ps kin=1.45 pot=20.18 Rg=6.376 SPS=1278
bl=4951 pos[1]=[-16.3 -20.2 -11.0] dr=1.29 t=51510.0ps kin=1.48 pot=20.19 Rg=6.349 SPS=1317
bl=4952 pos[1]=[-17.4 -19.8 -10.2] dr=1.36 t=51520.0ps kin=1.51 pot=20.22 Rg=6.457 SPS=1142
bl=4953 pos[1]=[-15.9 -21.9 -9.7] dr=1.33 t=51530.0ps kin=1.46 pot=20.21 Rg=6.472 SPS=1205
bl=4954 pos[1]=[-14.2 -22.6 -9.4] dr=1.33 t=51540.0ps kin=1.52 pot=20.20 Rg=6.456 SPS=847
bl=4955 pos[1]=[-14.6 -22.5 -7.6] dr=1.31 t=51550.0ps kin=1.52 pot=20.20 Rg=6.407 SPS=867
bl=4956 pos[1]=[-14.7 -21.8 -8.4] dr=1.29 t=51560.0ps kin=1.44 pot=20.26 Rg=6.439 SPS=890
bl=4957 pos[1]=[-13.8 -22.2 -8.2] dr=1.32 t=51570.0ps kin=1.52 pot=20.26 Rg=6.495 SPS=913
bl=4958 pos[1]=[-16.0 -21.2 -9.1] dr=1.36 t=51580.0ps kin=1.47 pot=20.29 Rg=6.496 SPS=1177
bl=4959 pos[1]=[-15.4 -19.3 -7.7] dr=1.36 t=51590.0ps kin=1.50 pot=20.21 Rg=6.403 SPS=1297
bl=4960 pos[1]=[-14.8 -18.8 -6.3] dr=1.36 t=51600.0ps kin=1.47 pot=20.21 Rg=6.397 SPS=1305
bl=4961 pos[1]=[-14.0 -15.3 -6.5] dr=1.30 t=51610.0ps kin=1.51 pot=20.17 Rg=6.330 SPS=660
bl=4962 pos[1]=[-15.8 -16.6 -6.7] dr=1.31 t=51620.0ps kin=1.55 pot=20.15 Rg=6.385 SPS=985
bl=4963 pos[1]=[-17.0 -17.7 -9.0] dr=1.31 t=51630.0ps kin=1.47 pot=20.19 Rg=6.438 SPS=1050
bl=4964 pos[1]=[-17.0 -19.7 -8.4] dr=1.33 t=51640.0ps kin=1.49 pot=20.21 Rg=6.483 SPS=982
bl=4965 pos[1]=[-15.3 -20.7 -7.4] dr=1.27 t=51650.0ps kin=1.52 pot=20.23 Rg=6.512 SPS=1183
bl=4966 pos[1]=[-16.8 -20.4 -8.1] dr=1.34 t=51660.0ps kin=1.50 pot=20.25 Rg=6.535 SPS=1084
bl=4967 pos[1]=[-18.4 -18.9 -10.6] dr=1.36 t=51670.0ps kin=1.52 pot=20.26 Rg=6.542 SPS=679
bl=4968 pos[1]=[-17.7 -18.4 -10.5] dr=1.40 t=51680.0ps kin=1.51 pot=20.29 Rg=6.544 SPS=1282
bl=4969 pos[1]=[-17.3 -19.8 -9.4] dr=1.37 t=51690.0ps kin=1.53 pot=20.31 Rg=6.549 SPS=1144
bl=4970 pos[1]=[-16.9 -19.5 -8.7] dr=1.30 t=51700.0ps kin=1.56 pot=20.32 Rg=6.576 SPS=1160
bl=4971 pos[1]=[-14.5 -22.7 -6.6] dr=1.42 t=51710.0ps kin=1.56 pot=20.31 Rg=6.574 SPS=1320
bl=4972 pos[1]=[-13.9 -23.0 -7.2] dr=1.37 t=51720.0ps kin=1.53 pot=20.25 Rg=6.529 SPS=1387
bl=4973 pos[1]=[-12.9 -22.0 -6.0] dr=1.33 t=51730.0ps kin=1.50 pot=20.26 Rg=6.432 SPS=1335
bl=4974 pos[1]=[-12.8 -20.1 -6.0] dr=1.30 t=51740.0ps kin=1.58 pot=20.21 Rg=6.369 SPS=1298
bl=4975 pos[1]=[-12.3 -19.9 -7.6] dr=1.35 t=51750.0ps kin=1.53 pot=20.18 Rg=6.413 SPS=1331
bl=4976 pos[1]=[-11.6 -19.0 -7.3] dr=1.33 t=51760.0ps kin=1.50 pot=20.21 Rg=6.401 SPS=1346
bl=4977 pos[1]=[-10.9 -17.6 -7.8] dr=1.25 t=51770.0ps kin=1.53 pot=20.24 Rg=6.438 SPS=1323
bl=4978 pos[1]=[-9.4 -19.2 -7.1] dr=1.35 t=51780.0ps kin=1.47 pot=20.19 Rg=6.495 SPS=1143
bl=4979 pos[1]=[-10.8 -18.1 -8.4] dr=1.26 t=51790.0ps kin=1.46 pot=20.29 Rg=6.496 SPS=1238
bl=4980 pos[1]=[-9.9 -17.8 -7.7] dr=1.32 t=51800.0ps kin=1.52 pot=20.26 Rg=6.420 SPS=1039
bl=4981 pos[1]=[-9.0 -19.0 -7.6] dr=1.30 t=51810.0ps kin=1.48 pot=20.22 Rg=6.441 SPS=804
bl=4982 pos[1]=[-9.9 -20.2 -9.0] dr=1.34 t=51820.0ps kin=1.48 pot=20.23 Rg=6.458 SPS=1167
bl=4983 pos[1]=[-9.8 -19.9 -7.7] dr=1.31 t=51830.0ps kin=1.46 pot=20.20 Rg=6.488 SPS=1326
bl=4984 pos[1]=[-9.7 -18.1 -9.0] dr=1.33 t=51840.0ps kin=1.53 pot=20.21 Rg=6.415 SPS=706
bl=4985 pos[1]=[-10.2 -19.5 -8.7] dr=1.32 t=51850.0ps kin=1.49 pot=20.34 Rg=6.441 SPS=981
bl=4986 pos[1]=[-9.8 -19.6 -7.7] dr=1.34 t=51860.0ps kin=1.50 pot=20.30 Rg=6.489 SPS=1148
bl=4987 pos[1]=[-9.8 -19.8 -8.1] dr=1.36 t=51870.0ps kin=1.57 pot=20.30 Rg=6.577 SPS=922
bl=4988 pos[1]=[-11.5 -18.8 -7.1] dr=1.33 t=51880.0ps kin=1.56 pot=20.24 Rg=6.490 SPS=827
bl=4989 pos[1]=[-11.4 -18.2 -6.1] dr=1.36 t=51890.0ps kin=1.50 pot=20.30 Rg=6.452 SPS=1160
bl=4990 pos[1]=[-10.8 -19.1 -5.2] dr=1.40 t=51900.0ps kin=1.53 pot=20.25 Rg=6.525 SPS=1261
bl=4991 pos[1]=[-11.9 -19.9 -5.0] dr=1.39 t=51910.0ps kin=1.45 pot=20.27 Rg=6.508 SPS=1368
bl=4992 pos[1]=[-13.7 -19.3 -4.4] dr=1.30 t=51920.0ps kin=1.50 pot=20.25 Rg=6.515 SPS=1366
bl=4993 pos[1]=[-12.4 -20.9 -6.4] dr=1.29 t=51930.0ps kin=1.45 pot=20.31 Rg=6.518 SPS=1322
bl=4994 pos[1]=[-12.3 -23.2 -7.1] dr=1.35 t=51940.0ps kin=1.51 pot=20.25 Rg=6.489 SPS=1354
bl=4995 pos[1]=[-12.7 -23.8 -7.1] dr=1.34 t=51950.0ps kin=1.48 pot=20.22 Rg=6.414 SPS=1294
bl=4996 pos[1]=[-13.9 -22.2 -7.8] dr=1.31 t=51960.0ps kin=1.49 pot=20.25 Rg=6.534 SPS=1335
bl=4997 pos[1]=[-15.6 -22.6 -11.0] dr=1.36 t=51970.0ps kin=1.47 pot=20.26 Rg=6.521 SPS=1410
bl=4998 pos[1]=[-16.3 -24.5 -11.1] dr=1.37 t=51980.0ps kin=1.53 pot=20.23 Rg=6.423 SPS=1323
bl=4999 pos[1]=[-15.3 -23.9 -9.2] dr=1.28 t=51990.0ps kin=1.49 pot=20.27 Rg=6.479 SPS=1333
Statistics for the simulation opt_ic_chr10_100K, number of particles: 1356, number of chains: 1
Statistics for particle position
mean position is: [-12.86735994 -17.51463507 -15.05793628] Rg = 6.478574
median bond size is 0.9627953680822334
three shortest/longest (<10)/ bonds are [0.87713622 0.88670464 0.88713687] [1.08103227 1.08270323 1.0882013 ]
95 percentile of distance to center is: 9.137446545071995
density of closest 95% monomers is: 0.4031068123168906
density of the core monomers is: 0.6537969544668432
min/median/mean/max coordinates are:
x: -21.91, -12.72, -12.87, -3.39
y: -25.86, -17.54, -17.51, -6.85
z: -23.32, -15.27, -15.06, -4.80
Statistics for velocities:
mean kinetic energy is: 1.487447064196272 should be: 1.5
fastest particles are (in kT): [7.36828553 8.01808521 8.24456009 8.39734527 8.41349807]
Statistics for the system:
Forces are: ['FENEBond', 'AngleForce', 'RepulsiveSoftCore', 'TypetoType', 'CustomIC', 'SphericalConfinementLJ']
Number of exceptions: 1355
Potential Energy Ep = 20.27497868270649
bl=5000 pos[1]=[-15.3 -22.5 -9.1] dr=1.30 t=52000.0ps kin=1.55 pot=20.29 Rg=6.444 SPS=1344
It is time to save the important files required for the inversion.
These files are prefered to be saved using the H5 compression.
Note: attention to this step. We have these 4 files for each replica for each iteration step. Be organized!
[36]:
replica="1"
with h5py.File(simulation_ic.folder + "/Nframes_" + replica + ".h5", 'w') as hf:
hf.create_dataset("Nframes", data=optimization_ic.Nframes)
with h5py.File(simulation_ic.folder + "/Pold_" + replica + ".h5", 'w') as hf:
hf.create_dataset("Pold", data=optimization_ic.Pold)
# Specific for IC minimization
with h5py.File(simulation_ic.folder + "/PiPj_IC_" + replica + ".h5", 'w') as hf:
hf.create_dataset("PiPj_IC", data=optimization_ic.PiPj_IC)
[37]:
%%bash
ls iteration_ic_0/*.h5
iteration_ic_0/Nframes_1.h5
iteration_ic_0/PiPj_IC_1.h5
iteration_ic_0/Pold_1.h5
The next part is the inversion. We need to feed the optmization object with all replicas and make the inversion to get the new lambda file.
[38]:
inversion_ic = CustomMiChroMTraining(ChromSeq="input/seq_chr10_100k.txt",
TypesTable='input/lambda_0',
IClist="input/lambda_IC_0",
dinit=3, dend=200)
[39]:
iterations = "iteration_ic_0"
replica = "1"
with h5py.File(iterations + "/Nframes_" + replica + ".h5", 'r') as hf:
inversion_ic.Nframes += hf['Nframes'][()]
with h5py.File(iterations + "/Pold_" + replica + ".h5", 'r') as hf:
inversion_ic.Pold += hf['Pold'][:]
# For IC
with h5py.File(iterations + "/PiPj_IC_" + replica + ".h5", 'r') as hf:
inversion_ic.PiPj_IC += hf['PiPj_IC'][:]
With the parameters of all replicas, we calculate the inversion and get the new lambdas. It is calculated by using the Newton Method:
\(\lambda_1 = \lambda_0 - \delta\times\lambda_{actual}\)
\(\delta\) is the learning rate or damp, it can be adjusted in order to get values between [-1:0]. The average value of MiChroM’s parameters for Human GM12878 is -0.3 when generating \(1\times10^5\) configurations among different replicas.
[40]:
lambdas_ic = inversion_ic.get_lambdas_IC(exp_map="input/chr10_100k.dense",
damp=5e-4)
lambdas_ic.size, lambdas_ic[:5]
[40]:
(197, array([-0.06625294, -1.63630439, 0.2064909 , 0.12058404, -0.03533482]))
Save the new lambda (lambda_1_ic) and other files to analyze the inversion.
[41]:
iteration = "0"
# Probabilities of As/Bs in the simulation and experiment
phi_sim = inversion_ic.calc_phi_sim_IC()
phi_exp = inversion_ic.calc_phi_exp_IC()
np.savetxt('iteration_ic_0/phi_sim_' + iteration, phi_sim)
np.savetxt('iteration_ic_0/phi_exp', phi_exp)
plt.plot(phi_sim, label="simulation")
plt.plot(phi_exp, label="experiment")
plt.ylabel(r'Contact probability, $\phi$')
plt.xlabel(r'Genomic distance, $d$')
plt.yscale('log')
plt.xscale('log')
plt.legend()
# Save and plot the simulated Hi-C
dense_sim = inversion_ic.get_HiC_sim()
np.savetxt('iteration_ic_0/hic_sim_' + iteration + '.dense', dense_sim)
dense_exp = np.loadtxt(filename)
dense_exp[np.isnan(dense_exp)] = 0.0
dense_exp = normalize(dense_exp, axis=1, norm='max')
r = np.zeros(dense_sim.size).reshape(dense_sim.shape)
r = np.triu(dense_exp, k=1) + np.tril(dense_sim, k=-1) + np.diag(np.ones(len(r)))
plt.matshow(r,
norm=mpl.colors.LogNorm(vmin=0.0001,
vmax=dense_sim.max()),
cmap="Reds")
# Save the new lambda file
np.savetxt("iteration_ic_0/lambda_1", lambdas_ic)
The simulated interaction terms (lambdas_1 data) can be used to fit a model in order to run production simulations with longer cutoffs in the IC energy term. The resulting model is used in the addCustomIC method of the OpenMiChroM class.
[43]:
def objective1(x, a, b, c):
return -a / np.log(x) - b / x**2 - c / x
y = lambdas_ic
x = np.arange(3, lambdas_ic.size + 3)
plt.scatter(x, y, label='simulation')
# curve fit
popt, pcov = curve_fit(objective1, x, y)
a, b, c = popt
standard_dev = np.sqrt(np.diag(pcov))
# IC generated model
print(popt, standard_dev)
# plot the fit
x_fit = x
y_fit = objective1(x_fit, a, b, c)
plt.plot(x_fit, y_fit, label='fitting',
color='#ff7f0e')
[-0.14260129 3.58641988 0.82703462] [0.15690074 5.51415182 1.68569841]
[43]:
[<matplotlib.lines.Line2D at 0x7faf889c9bb0>]
Nice job! You have completed the optimization tutorial of the MiChroM energy terms.