+++ /dev/null
---------------------------------------------------------------------------------
- FILE ASSIGNMENT
---------------------------------------------------------------------------------
- Input file : 1L2Y_micro.inp
- Output file : 1L2Y_micro.out_GB000
-
- Sidechain potential file :
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file : /users/aks255/newUNRES/unres/PARAM/scp.parm
- Electrostatic potential file :
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
- Cumulant coefficient file :
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file :
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
- Double torsional parameter file :
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
- Bond & inertia constant file :
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
- Bending parameter file :
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
- Rotamer parameter file :
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
- Threading database :
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
---------------------------------------------------------------------------------
-********************************************************************************
-United-residue force field calculation - parallel job.
-********************************************************************************
- ### LAST MODIFIED 03/28/12 23:29 by czarek
- ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul 5 05:49:13 2012
- compiled by jal47@matrix.chem.cornell.edu
- OS name: Linux
- OS release: 2.6.34.9-69.fc13.x86_64
- OS version: #1 SMP Tue May 3 09:23:03 UTC 2011
- flags:
- INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
- FC= ifort
- OPT = -g -ip -w -CB
- FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
- FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
- FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
- FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ...
- LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
- ARCH = LINUX
- PP = /lib/cpp -P
- object = unres.o arcos.o cartprint.o chainbuild...
- GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
- GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
- E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
- E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
- ++++ End of compile info ++++
- Start reading THETA_PDB
- End reading THETA_PDB
-
-Potential is GB , exponents are 6 12
-
-Disulfide bridge parameters:
-S-S bridge energy: -5.50
-d0cm: 3.78 akcm: 15.10
-akth: 11.00 akct: 12.00
-v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
- MPI: node= 0 iseed(4)= 0 0 -46
- -45086
- ran_num 6.422640197456531E-013
-RMSDBC = 3.0
-RMSDBC1 = 0.5
-RMSDBC1MAX = 1.5
-DRMS = 0.1
-RMSDBCM = 3.0
-Time limit (min): 960.0
- RESCALE_MODE 2
-Library routine used to diagonalize matrices.
-
-=========================== Parameters of the MD run ===========================
-
-The units are:
-positions: angstrom, time: 48.9 fs
-velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
-energy: kcal/mol, temperature: K
-
- Number of time steps: 1000000
- Initial time step of numerical integration: 0.10000 natural units
- 4.89000 fs
-A-MTS algorithm used; initial time step for fast-varying short-range forces split into 1 steps.
-Short-range force cutoff 2.00 lambda 0.30
-Maximum acceleration threshold to reduce the time step/increase split number: 10.00000
-Maximum predicted energy drift to reduce the timestep/increase split number: 10.00000
- Maximum velocity threshold to reduce velocities: 20.00000
- Frequency of property output: 10000
- Frequency of coordinate output: 10000
-Berendsen bath calculation
- Temperature: 300.00000
- Coupling constant (tau): 1.00000
-Momenta will be reset at zero every 1000 steps
-Velocities will be reset at random every 10000 steps
-
-============================== End of MD run setup =============================
-
-
-Energy-term weights (unscaled):
-
-WSCC= 1.000000 (SC-SC)
-WSCP= 1.233150 (SC-p)
-WELEC= 0.844760 (p-p electr)
-WVDWPP= 0.231730 (p-p VDW)
-WBOND= 1.000000 (stretching)
-WANG= 0.629540 (bending)
-WSCLOC= 0.105540 (SC local)
-WTOR= 1.843160 (torsional)
-WTORD= 1.265710 (double torsional)
-WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
-WEL_LOC= 0.373570 (multi-body 3-rd order)
-WCORR4= 0.192120 (multi-body 4th order)
-WCORR5= 0.000000 (multi-body 5th order)
-WCORR6= 0.000000 (multi-body 6th order)
-WSCCOR= 0.000000 (back-scloc correlation)
-WTURN3= 1.403230 (turns, 3rd order)
-WTURN4= 0.646730 (turns, 4th order)
-WTURN6= 0.000000 (turns, 6th order)
-
-Hydrogen-bonding correlation between contact pairs of peptide groups
-
-Scaling factor of 1,4 SC-p interactions: 0.400
-General scaling factor of SC-p interactions: 1.000
-
-Energy-term weights (scaled):
-
-WSCC= 1.000000 (SC-SC)
-WSCP= 1.233150 (SC-p)
-WELEC= 0.844760 (p-p electr)
-WVDWPP= 0.231730 (p-p VDW)
-WBOND= 1.000000 (stretching)
-WANG= 0.629540 (bending)
-WSCLOC= 0.105540 (SC local)
-WTOR= 1.843160 (torsional)
-WTORD= 1.265710 (double torsional)
-WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
-WEL_LOC= 0.373570 (multi-body 3-rd order)
-WCORR4= 0.192120 (multi-body 4th order)
-WCORR5= 0.000000 (multi-body 5th order)
-WCORR6= 0.000000 (multi-body 6th order)
-WSCCOR= 0.000000 (back-scloc correlatkion)
-WTURN3= 1.403230 (turns, 3rd order)
-WTURN4= 0.646730 (turns, 4th order)
-WTURN6= 0.000000 (turns, 6th order)
- Reference temperature for weights calculation: 300.000000000000
- Parameters of the SS-bond potential:
- D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
- 11.0000000000000 AKCT 12.0000000000000
- V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
- 13.7000000000000
- EBR -5.50000000000000
-PDB data will be read from file ../../../1L2Y.pdb
- Nres: 21
-Backbone and SC coordinates as read from the PDB
- 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
- 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437
- 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850
- 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
- 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074
- 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853
- 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
- 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799
- 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
- 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
- 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
- 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
- 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
- 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
- 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
- 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
- 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
- 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
- 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
- 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
- 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
- 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
-nsup= 20 nstart_sup= 2
- ITEL
- 1 21 0
- 2 14 1
- 3 5 1
- 4 8 1
- 5 4 1
- 6 13 1
- 7 7 1
- 8 5 1
- 9 19 1
- 10 16 1
- 11 10 1
- 12 10 2
- 13 20 1
- 14 12 1
- 15 12 1
- 16 10 1
- 17 18 2
- 18 20 2
- 19 20 2
- 20 20 1
- 21 12 0
- ns= 0 iss:
-Boundaries in phi angle sampling:
-D 1 -180.0 180.0
-ASN 2 -180.0 180.0
-LEU 3 -180.0 180.0
-TYR 4 -180.0 180.0
-ILE 5 -180.0 180.0
-GLN 6 -180.0 180.0
-TRP 7 -180.0 180.0
-LEU 8 -180.0 180.0
-LYS 9 -180.0 180.0
-ASP 10 -180.0 180.0
-GLY 11 -180.0 180.0
-GLY 12 -180.0 180.0
-PRO 13 -180.0 180.0
-SER 14 -180.0 180.0
-SER 15 -180.0 180.0
-GLY 16 -180.0 180.0
-ARG 17 -180.0 180.0
-PRO 18 -180.0 180.0
-PRO 19 -180.0 180.0
-PRO 20 -180.0 180.0
-SER 21 -180.0 180.0
-D 22 -180.0 180.0
-nsup= 20
- nsup= 20 nstart_sup= 2 nstart_seq= 2
- NZ_START= 2 NZ_END= 21
- IZ_SC= 0
- Contact order: 0.308441558441558
- Shifting contacts: 2 2
- 1 ILE 5 ASN 2
- 2 TRP 7 TYR 4
- 3 LEU 8 TYR 4
- 4 LEU 8 ILE 5
- 5 LYS 9 GLN 6
- 6 GLY 12 TRP 7
- 7 GLY 12 LEU 8
- 8 SER 14 GLY 11
- 9 SER 15 ASP 10
- 10 SER 15 GLY 11
- 11 PRO 19 TRP 7
- 12 PRO 20 LEU 3
- 13 PRO 20 TYR 4
- 14 PRO 20 TRP 7
-Extended chain initial geometry.
-
-Geometry of the virtual chain.
- Res d Theta Gamma Dsc Alpha Beta
-D 1 0.000 0.000 0.000 0.000 0.000 0.000
-ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
-LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
-TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
-ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
-GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
-TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
-LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
-LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
-ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
-GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000
-GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000
-PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
-SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
-SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
-GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000
-ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
-PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
-PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
-PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
-SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
-D 22 3.800 90.000 180.000 0.000 0.000 0.000
-
-
-********************************************************************************
- Processor 0: end reading molecular data.
-********************************************************************************
-
-
-Mesoscopic molecular dynamics (MD) calculation.
-
-********************************************************************************
-
- Calling chainbuild
-====================MD calculation start====================
- Initial velocities randomly generated
- Initial velocities
- 0 0.02267 0.06282 -0.18129 0.00000 0.00000 0.00000
- 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
- 2 -0.36014 -0.22705 -0.00171 -0.06904 -0.02446 0.24778
- 3 0.27655 0.20645 0.14150 0.26200 0.15105 0.09342
- 4 0.10834 -0.11941 0.14712 0.10330 -0.09595 0.03277
- 5 0.05798 -0.08974 0.08325 0.03879 0.02648 -0.14707
- 6 0.01211 0.16444 -0.14711 -0.01628 0.11599 -0.16511
- 7 -0.01010 -0.05513 0.03662 -0.18958 0.06429 0.04531
- 8 -0.01799 0.13439 -0.04510 0.02318 0.10657 0.03722
- 9 -0.26458 -0.01929 0.09531 -0.22533 -0.17075 -0.04594
- 10 0.14062 -0.06051 -0.18363 0.20415 -0.15549 -0.17329
- 11 -0.14145 0.13159 -0.00733 0.00000 0.00000 0.00000
- 12 0.19745 -0.24261 0.01759 0.00000 0.00000 0.00000
- 13 -0.15305 0.28008 0.07251 0.06558 0.14824 0.10057
- 14 0.11104 -0.31941 0.15684 -0.02949 -0.09688 0.05398
- 15 0.14534 0.10342 -0.23754 -0.13923 0.07952 0.07655
- 16 -0.11969 0.14757 0.15002 0.00000 0.00000 0.00000
- 17 -0.09007 -0.15856 -0.20234 -0.07955 -0.08516 -0.10245
- 18 0.24139 0.09063 0.14043 -0.02074 0.10220 0.04907
- 19 -0.14354 -0.07226 -0.29143 -0.12408 -0.06855 -0.02978
- 20 0.28536 0.09023 0.56577 0.02348 0.16297 0.19270
- 21 0.00000 0.00000 0.00000 -0.13725 -0.06434 -0.21957
- 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
- Calling the zero-angular momentum subroutine
- vcm right after adjustment:
- 1.837610523517500E-017 -2.960594732333751E-018 9.596410511702503E-018
-
-
- alpha-carbon coordinates centroid coordinates
- X Y Z X Y Z
-D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044
-LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795
-TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147
-ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530
-GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291
-TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994
-LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795
-LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786
-ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078
-GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000
-GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000
-PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456
-SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587
-SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587
-GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000
-ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767
-PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456
-PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456
-PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456
-SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587
-D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000
-
-Geometry of the virtual chain.
- Res d Theta Gamma Dsc Alpha Beta
-D 1 0.000 0.000 0.000 0.000 0.000 0.000
-ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
-LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
-TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
-ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
-GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
-TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
-LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
-LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
-ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
-GLY 11 3.800 90.000 180.000 0.000 180.000 180.000
-GLY 12 3.800 90.000 180.000 0.000 180.000 180.000
-PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
-SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
-SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
-GLY 16 3.800 90.000 180.000 0.000 180.000 180.000
-ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
-PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
-PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
-PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
-SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
-D 22 3.800 90.000 180.000 0.000 180.000 180.000
- Potential energy and its components
-
-Virtual-chain energies:
-
-EVDW= -1.947821E+01 WEIGHT= 1.000000D+00 (SC-SC)
-EVDW2= 2.387106E+01 WEIGHT= 1.233150D+00 (SC-p)
-EES= -7.520330E+00 WEIGHT= 8.447600D-01 (p-p)
-EVDWPP= -2.624923E+01 WEIGHT= 2.317300D-01 (p-p VDW)
-ESTR= 1.118676E+02 WEIGHT= 1.000000D+00 (stretching)
-EBE= -1.933948E+01 WEIGHT= 6.295400D-01 (bending)
-ESC= 8.868295E+01 WEIGHT= 1.055400D-01 (SC local)
-ETORS= 2.664535E-15 WEIGHT= 1.843160D+00 (torsional)
-ETORSD= -2.547586E+00 WEIGHT= 1.265710D+00 (double torsional)
-EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.501075E+00 WEIGHT= 1.921200D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.197932E+01 WEIGHT= 3.735700D-01 (electrostatic-local)
-ETURN3= -1.258124E+00 WEIGHT= 1.403230D+00 (turns, 3rd order)
-ETURN4= 9.498513E+00 WEIGHT= 6.467300D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-ETOT= 1.150741E+02 (total)
-
-Initial:
- Kinetic energy 3.16218E+01
- potential energy 1.15074E+02
- total energy 1.46696E+02
-
- maximum acceleration 4.85027E+00
-
-Momenta zeroed out, time 99.90
-Momenta zeroed out, time 199.90
-Momenta zeroed out, time 299.90
-Momenta zeroed out, time 399.90
-Momenta zeroed out, time 499.90
-Momenta zeroed out, time 599.90
-Momenta zeroed out, time 699.90
-Momenta zeroed out, time 799.90
-Momenta zeroed out, time 899.90
-Velocities reset to random values, time 999.90
-Momenta zeroed out, time 999.90
-Momenta zeroed out, time 1099.90
-Momenta zeroed out, time 1199.90
-Momenta zeroed out, time 1299.90
-Momenta zeroed out, time 1399.90
-Momenta zeroed out, time 1499.90
-Momenta zeroed out, time 1599.90
-Momenta zeroed out, time 1699.90
-Momenta zeroed out, time 1799.90
-Momenta zeroed out, time 1899.90
-Velocities reset to random values, time 1999.90
-Momenta zeroed out, time 1999.90
-Momenta zeroed out, time 2099.90
-Momenta zeroed out, time 2199.90
-Momenta zeroed out, time 2299.90
-Momenta zeroed out, time 2399.90
-Momenta zeroed out, time 2499.90
-Momenta zeroed out, time 2599.90
-Momenta zeroed out, time 2699.90
-Momenta zeroed out, time 2799.90
-Momenta zeroed out, time 2899.90
-Velocities reset to random values, time 2999.90
-Momenta zeroed out, time 2999.90
-Momenta zeroed out, time 3099.90
-Momenta zeroed out, time 3199.90
-Momenta zeroed out, time 3299.90
-Momenta zeroed out, time 3399.90
-Momenta zeroed out, time 3499.90
-Momenta zeroed out, time 3599.90
-Momenta zeroed out, time 3699.90
-Momenta zeroed out, time 3799.90
-Momenta zeroed out, time 3899.90
-Velocities reset to random values, time 3999.90
-Momenta zeroed out, time 3999.90
-Momenta zeroed out, time 4099.90
-Momenta zeroed out, time 4199.90
-Momenta zeroed out, time 4299.90
-Momenta zeroed out, time 4399.90
-Momenta zeroed out, time 4499.90
-Momenta zeroed out, time 4599.90
-Momenta zeroed out, time 4699.90
-Momenta zeroed out, time 4799.90
-Momenta zeroed out, time 4899.90
-Velocities reset to random values, time 4999.90
-Momenta zeroed out, time 4999.90
-Momenta zeroed out, time 5099.90
-Momenta zeroed out, time 5199.90
-Momenta zeroed out, time 5299.90
-Momenta zeroed out, time 5399.90
-Momenta zeroed out, time 5499.90
-Momenta zeroed out, time 5599.90
-Momenta zeroed out, time 5699.90
-Momenta zeroed out, time 5799.90
-Momenta zeroed out, time 5899.90
-Velocities reset to random values, time 5999.90
-Momenta zeroed out, time 5999.90
-Momenta zeroed out, time 6099.90
-Momenta zeroed out, time 6199.90
-Momenta zeroed out, time 6299.90
-Momenta zeroed out, time 6399.90
-Momenta zeroed out, time 6499.90
-Momenta zeroed out, time 6599.90
-Momenta zeroed out, time 6699.90
-Momenta zeroed out, time 6799.90
-Momenta zeroed out, time 6899.90
-Velocities reset to random values, time 6999.90
-Momenta zeroed out, time 6999.90
-Momenta zeroed out, time 7099.90
-Momenta zeroed out, time 7199.90
-Momenta zeroed out, time 7299.90
-Momenta zeroed out, time 7399.90
-Momenta zeroed out, time 7499.90
-Momenta zeroed out, time 7599.90
-Momenta zeroed out, time 7699.90
-Momenta zeroed out, time 7799.90
-Momenta zeroed out, time 7899.90
-Velocities reset to random values, time 7999.90
-Momenta zeroed out, time 7999.90
-Momenta zeroed out, time 8099.90
-Momenta zeroed out, time 8199.90
-Momenta zeroed out, time 8299.90
-Momenta zeroed out, time 8399.90
-Momenta zeroed out, time 8499.90
-Momenta zeroed out, time 8599.90
-Momenta zeroed out, time 8699.90
-Momenta zeroed out, time 8799.90
-Momenta zeroed out, time 8899.90
-Velocities reset to random values, time 8999.90
-Momenta zeroed out, time 8999.90
-Momenta zeroed out, time 9099.90
-Momenta zeroed out, time 9199.90
-Momenta zeroed out, time 9299.90
-Momenta zeroed out, time 9399.90
-Momenta zeroed out, time 9499.90
-Momenta zeroed out, time 9599.90
-Momenta zeroed out, time 9699.90
-Momenta zeroed out, time 9799.90
-Momenta zeroed out, time 9899.90
-Velocities reset to random values, time 9999.90
-Momenta zeroed out, time 9999.90
-Momenta zeroed out, time 10099.90
-Momenta zeroed out, time 10199.90
-Momenta zeroed out, time 10299.90
-Momenta zeroed out, time 10399.90
-Momenta zeroed out, time 10499.90
-Momenta zeroed out, time 10599.90
-Momenta zeroed out, time 10699.90
-Momenta zeroed out, time 10799.90
-Momenta zeroed out, time 10899.90
-Velocities reset to random values, time 10999.90
-Momenta zeroed out, time 10999.90
-Momenta zeroed out, time 11099.90
-Momenta zeroed out, time 11199.90
-Momenta zeroed out, time 11299.90
-Momenta zeroed out, time 11399.90
-Momenta zeroed out, time 11499.90
-Momenta zeroed out, time 11599.90
-Momenta zeroed out, time 11699.90
-Momenta zeroed out, time 11799.90
-Momenta zeroed out, time 11899.90
-Velocities reset to random values, time 11999.90
-Momenta zeroed out, time 11999.90
-Momenta zeroed out, time 12099.90
-Momenta zeroed out, time 12199.90
-Momenta zeroed out, time 12299.90
-Momenta zeroed out, time 12399.90
-Momenta zeroed out, time 12499.90
-Momenta zeroed out, time 12599.90
-Momenta zeroed out, time 12699.90
-Momenta zeroed out, time 12799.90
-Momenta zeroed out, time 12899.90
-Velocities reset to random values, time 12999.90
-Momenta zeroed out, time 12999.90
-Momenta zeroed out, time 13099.90
-Momenta zeroed out, time 13199.90
-Momenta zeroed out, time 13299.90
-Momenta zeroed out, time 13399.90
-Momenta zeroed out, time 13499.90
-Momenta zeroed out, time 13599.90
-Momenta zeroed out, time 13699.90
-Momenta zeroed out, time 13799.90
-Momenta zeroed out, time 13899.90
-Velocities reset to random values, time 13999.90
-Momenta zeroed out, time 13999.90
-Momenta zeroed out, time 14099.90
-Momenta zeroed out, time 14199.90
-Momenta zeroed out, time 14299.90
-Momenta zeroed out, time 14399.90
-Momenta zeroed out, time 14499.90
-Momenta zeroed out, time 14599.90
-Momenta zeroed out, time 14699.90
-Momenta zeroed out, time 14799.90
-Momenta zeroed out, time 14899.90
-Velocities reset to random values, time 14999.90
-Momenta zeroed out, time 14999.90
-Momenta zeroed out, time 15099.90
-Momenta zeroed out, time 15199.90
-Momenta zeroed out, time 15299.90
-Momenta zeroed out, time 15399.90
-Momenta zeroed out, time 15499.90
-Momenta zeroed out, time 15599.90
-Momenta zeroed out, time 15699.90
-Momenta zeroed out, time 15799.90
-Momenta zeroed out, time 15899.90
-Velocities reset to random values, time 15999.90
-Momenta zeroed out, time 15999.90
-Momenta zeroed out, time 16099.90
-Momenta zeroed out, time 16199.90
-Momenta zeroed out, time 16299.90
-Momenta zeroed out, time 16399.90
-Momenta zeroed out, time 16499.90
-Momenta zeroed out, time 16599.90
-Momenta zeroed out, time 16699.90
-Momenta zeroed out, time 16799.90
-Momenta zeroed out, time 16899.90
-Velocities reset to random values, time 16999.90
-Momenta zeroed out, time 16999.90
-Momenta zeroed out, time 17099.90
-Momenta zeroed out, time 17199.90
-Momenta zeroed out, time 17299.90
-Momenta zeroed out, time 17399.90
-Momenta zeroed out, time 17499.90
-Momenta zeroed out, time 17599.90
-Momenta zeroed out, time 17699.90
-Momenta zeroed out, time 17799.90
-Momenta zeroed out, time 17899.90
-Velocities reset to random values, time 17999.90
-Momenta zeroed out, time 17999.90
-Momenta zeroed out, time 18099.90
-Momenta zeroed out, time 18199.90
-Momenta zeroed out, time 18299.90
-Momenta zeroed out, time 18399.90
-Momenta zeroed out, time 18499.90
-Momenta zeroed out, time 18599.90
-Momenta zeroed out, time 18699.90
-Momenta zeroed out, time 18799.90
-Momenta zeroed out, time 18899.90
-Velocities reset to random values, time 18999.90
-Momenta zeroed out, time 18999.90
-Momenta zeroed out, time 19099.90
-Momenta zeroed out, time 19199.90
-Momenta zeroed out, time 19299.90
-Momenta zeroed out, time 19399.90
-Momenta zeroed out, time 19499.90
-Momenta zeroed out, time 19599.90
-Momenta zeroed out, time 19699.90
-Momenta zeroed out, time 19799.90
-Momenta zeroed out, time 19899.90
-Velocities reset to random values, time 19999.90
-Momenta zeroed out, time 19999.90
-Momenta zeroed out, time 20099.90
-Momenta zeroed out, time 20199.90
-Momenta zeroed out, time 20299.90
-Momenta zeroed out, time 20399.90
-Momenta zeroed out, time 20499.90
-Momenta zeroed out, time 20599.90
-Momenta zeroed out, time 20699.90
-Momenta zeroed out, time 20799.90
-Momenta zeroed out, time 20899.90
-Velocities reset to random values, time 20999.90
-Momenta zeroed out, time 20999.90
-Momenta zeroed out, time 21099.90
-Momenta zeroed out, time 21199.90
-Momenta zeroed out, time 21299.90
-Momenta zeroed out, time 21399.90
-Momenta zeroed out, time 21499.90
-Momenta zeroed out, time 21599.90
-Momenta zeroed out, time 21699.90
-Momenta zeroed out, time 21799.90
-Momenta zeroed out, time 21899.90
-Velocities reset to random values, time 21999.90
-Momenta zeroed out, time 21999.90
-Momenta zeroed out, time 22099.90
-Momenta zeroed out, time 22199.90
-Momenta zeroed out, time 22299.90
-Momenta zeroed out, time 22399.90
-Momenta zeroed out, time 22499.90
-Momenta zeroed out, time 22599.90
-Momenta zeroed out, time 22699.90
-Momenta zeroed out, time 22799.90
-Momenta zeroed out, time 22899.90
-Velocities reset to random values, time 22999.90
-Momenta zeroed out, time 22999.90
-Momenta zeroed out, time 23099.90
-Momenta zeroed out, time 23199.90
-Momenta zeroed out, time 23299.90
-Momenta zeroed out, time 23399.90
-Momenta zeroed out, time 23499.90
-Momenta zeroed out, time 23599.90
-Momenta zeroed out, time 23699.90
-Momenta zeroed out, time 23799.90
-Momenta zeroed out, time 23899.90
-Velocities reset to random values, time 23999.90
-Momenta zeroed out, time 23999.90
-Momenta zeroed out, time 24099.90
-Momenta zeroed out, time 24199.90
-Momenta zeroed out, time 24299.90
-Momenta zeroed out, time 24399.90
-Momenta zeroed out, time 24499.90
-Momenta zeroed out, time 24599.90
-Momenta zeroed out, time 24699.90
-Momenta zeroed out, time 24799.90
-Momenta zeroed out, time 24899.90
-Velocities reset to random values, time 24999.90
-Momenta zeroed out, time 24999.90
-Momenta zeroed out, time 25099.90
-Momenta zeroed out, time 25199.90
-Momenta zeroed out, time 25299.90
-Momenta zeroed out, time 25399.90
-Momenta zeroed out, time 25499.90
-Momenta zeroed out, time 25599.90
-Momenta zeroed out, time 25699.90
-Momenta zeroed out, time 25799.90
-Momenta zeroed out, time 25899.90
-Velocities reset to random values, time 25999.90
-Momenta zeroed out, time 25999.90
-Momenta zeroed out, time 26099.90
-Momenta zeroed out, time 26199.90
-Momenta zeroed out, time 26299.90
-Momenta zeroed out, time 26399.90
-Momenta zeroed out, time 26499.90
-Momenta zeroed out, time 26599.90
-Momenta zeroed out, time 26699.90
-Momenta zeroed out, time 26799.90
-Momenta zeroed out, time 26899.90
-Velocities reset to random values, time 26999.90
-Momenta zeroed out, time 26999.90
-Momenta zeroed out, time 27099.90
-Momenta zeroed out, time 27199.90
-Momenta zeroed out, time 27299.90
-Momenta zeroed out, time 27399.90
-Momenta zeroed out, time 27499.90
-Momenta zeroed out, time 27599.90
-Momenta zeroed out, time 27699.90
-Momenta zeroed out, time 27799.90
-Momenta zeroed out, time 27899.90
-Velocities reset to random values, time 27999.90
-Momenta zeroed out, time 27999.90
-Momenta zeroed out, time 28099.90
-Momenta zeroed out, time 28199.90
-Momenta zeroed out, time 28299.90
-Momenta zeroed out, time 28399.90
-Momenta zeroed out, time 28499.90
-Momenta zeroed out, time 28599.90
-Momenta zeroed out, time 28699.90
-Momenta zeroed out, time 28799.90
-Momenta zeroed out, time 28899.90
-Velocities reset to random values, time 28999.90
-Momenta zeroed out, time 28999.90
-Momenta zeroed out, time 29099.90
-Momenta zeroed out, time 29199.90
-Momenta zeroed out, time 29299.90
-Momenta zeroed out, time 29399.90
-Momenta zeroed out, time 29499.90
-Momenta zeroed out, time 29599.90
-Momenta zeroed out, time 29699.90
-Momenta zeroed out, time 29799.90
-Momenta zeroed out, time 29899.90
-Velocities reset to random values, time 29999.90
-Momenta zeroed out, time 29999.90
-Momenta zeroed out, time 30099.90
-Momenta zeroed out, time 30199.90
-Momenta zeroed out, time 30299.90
-Momenta zeroed out, time 30399.90
-Momenta zeroed out, time 30499.90
-Momenta zeroed out, time 30599.90
-Momenta zeroed out, time 30699.90
-Momenta zeroed out, time 30799.90
-Momenta zeroed out, time 30899.90
-Velocities reset to random values, time 30999.90
-Momenta zeroed out, time 30999.90
-Momenta zeroed out, time 31099.90
-Momenta zeroed out, time 31199.90
-Momenta zeroed out, time 31299.90
-Momenta zeroed out, time 31399.90
-Momenta zeroed out, time 31499.90
-Momenta zeroed out, time 31599.90
-Momenta zeroed out, time 31699.90
-Momenta zeroed out, time 31799.90
-Momenta zeroed out, time 31899.90
-Velocities reset to random values, time 31999.90
-Momenta zeroed out, time 31999.90
-Momenta zeroed out, time 32099.90
-Momenta zeroed out, time 32199.90
-Momenta zeroed out, time 32299.90
-Momenta zeroed out, time 32399.90
-Momenta zeroed out, time 32499.90
-Momenta zeroed out, time 32599.90
-Momenta zeroed out, time 32699.90
-Momenta zeroed out, time 32799.90
-Momenta zeroed out, time 32899.90
-Velocities reset to random values, time 32999.90
-Momenta zeroed out, time 32999.90
-Momenta zeroed out, time 33099.90
-Momenta zeroed out, time 33199.90
-Momenta zeroed out, time 33299.90
-Momenta zeroed out, time 33399.90
-Momenta zeroed out, time 33499.90
-Momenta zeroed out, time 33599.90
-Momenta zeroed out, time 33699.90
-Momenta zeroed out, time 33799.90
-Momenta zeroed out, time 33899.90
-Velocities reset to random values, time 33999.90
-Momenta zeroed out, time 33999.90
-Momenta zeroed out, time 34099.90
-Momenta zeroed out, time 34199.90
-Momenta zeroed out, time 34299.90
-Momenta zeroed out, time 34399.90
-Momenta zeroed out, time 34499.90
-Momenta zeroed out, time 34599.90
-Momenta zeroed out, time 34699.90
-Momenta zeroed out, time 34799.90
-Momenta zeroed out, time 34899.90
-Velocities reset to random values, time 34999.90
-Momenta zeroed out, time 34999.90
-Momenta zeroed out, time 35099.90
-Momenta zeroed out, time 35199.90
-Momenta zeroed out, time 35299.90
-Momenta zeroed out, time 35399.90
-Momenta zeroed out, time 35499.90
-Momenta zeroed out, time 35599.90
-Momenta zeroed out, time 35699.90
-Momenta zeroed out, time 35799.90
-Momenta zeroed out, time 35899.90
-Velocities reset to random values, time 35999.90
-Momenta zeroed out, time 35999.90
-Momenta zeroed out, time 36099.90
-Momenta zeroed out, time 36199.90
-Momenta zeroed out, time 36299.90
-Momenta zeroed out, time 36399.90
-Momenta zeroed out, time 36499.90
-Momenta zeroed out, time 36599.90
-Momenta zeroed out, time 36699.90
-Momenta zeroed out, time 36799.90
-Momenta zeroed out, time 36899.90
-Velocities reset to random values, time 36999.90
-Momenta zeroed out, time 36999.90
-Momenta zeroed out, time 37099.90
-Momenta zeroed out, time 37199.90
-Momenta zeroed out, time 37299.90
-Momenta zeroed out, time 37399.90
-Momenta zeroed out, time 37499.90
-Momenta zeroed out, time 37599.90
-Momenta zeroed out, time 37699.90
-Momenta zeroed out, time 37799.90
-Momenta zeroed out, time 37899.90
-Velocities reset to random values, time 37999.90
-Momenta zeroed out, time 37999.90
-Momenta zeroed out, time 38099.90
-Momenta zeroed out, time 38199.90
-Momenta zeroed out, time 38299.90
-Momenta zeroed out, time 38399.90
-Momenta zeroed out, time 38499.90
-Momenta zeroed out, time 38599.90
-Momenta zeroed out, time 38699.90
-Momenta zeroed out, time 38799.90
-Momenta zeroed out, time 38899.90
-Velocities reset to random values, time 38999.90
-Momenta zeroed out, time 38999.90
-Momenta zeroed out, time 39099.90
-Momenta zeroed out, time 39199.90
-Momenta zeroed out, time 39299.90
-Momenta zeroed out, time 39399.90
-Momenta zeroed out, time 39499.90
-Momenta zeroed out, time 39599.90
-Momenta zeroed out, time 39699.90
-Momenta zeroed out, time 39799.90
-Momenta zeroed out, time 39899.90
-Velocities reset to random values, time 39999.90
-Momenta zeroed out, time 39999.90
-Momenta zeroed out, time 40099.90
-Momenta zeroed out, time 40199.90
-Momenta zeroed out, time 40299.90
-Momenta zeroed out, time 40399.90
-Momenta zeroed out, time 40499.90
-Momenta zeroed out, time 40599.90
-Momenta zeroed out, time 40699.90
-Momenta zeroed out, time 40799.90
-Momenta zeroed out, time 40899.90
-Velocities reset to random values, time 40999.90
-Momenta zeroed out, time 40999.90
-Momenta zeroed out, time 41099.90
-Momenta zeroed out, time 41199.90
-Momenta zeroed out, time 41299.90
-Momenta zeroed out, time 41399.90
-Momenta zeroed out, time 41499.90
-Momenta zeroed out, time 41599.90
-Momenta zeroed out, time 41699.90
-Momenta zeroed out, time 41799.90
-Momenta zeroed out, time 41899.90
-Velocities reset to random values, time 41999.90
-Momenta zeroed out, time 41999.90
-Momenta zeroed out, time 42099.90
-Momenta zeroed out, time 42199.90
-Momenta zeroed out, time 42299.90
-Momenta zeroed out, time 42399.90
-Momenta zeroed out, time 42499.90
-Momenta zeroed out, time 42599.90
-Momenta zeroed out, time 42699.90
-Momenta zeroed out, time 42799.90
-Momenta zeroed out, time 42899.90
-Velocities reset to random values, time 42999.90
-Momenta zeroed out, time 42999.90
-Momenta zeroed out, time 43099.90
-Momenta zeroed out, time 43199.90
-Momenta zeroed out, time 43299.90
-Momenta zeroed out, time 43399.90
-Momenta zeroed out, time 43499.90
-Momenta zeroed out, time 43599.90
-Momenta zeroed out, time 43699.90
-Momenta zeroed out, time 43799.90
-Momenta zeroed out, time 43899.90
-Velocities reset to random values, time 43999.90
-Momenta zeroed out, time 43999.90
-Momenta zeroed out, time 44099.90
-Momenta zeroed out, time 44199.90
-Momenta zeroed out, time 44299.90
-Momenta zeroed out, time 44399.90
-Momenta zeroed out, time 44499.90
-Momenta zeroed out, time 44599.90
-Momenta zeroed out, time 44699.90
-Momenta zeroed out, time 44799.90
-Momenta zeroed out, time 44899.90
-Velocities reset to random values, time 44999.90
-Momenta zeroed out, time 44999.90
-Momenta zeroed out, time 45099.90
-Momenta zeroed out, time 45199.90
-Momenta zeroed out, time 45299.90
-Momenta zeroed out, time 45399.90
-Momenta zeroed out, time 45499.90
-Momenta zeroed out, time 45599.90
-Momenta zeroed out, time 45699.90
-Momenta zeroed out, time 45799.90
-Momenta zeroed out, time 45899.90
-Velocities reset to random values, time 45999.90
-Momenta zeroed out, time 45999.90
-Momenta zeroed out, time 46099.90
-Momenta zeroed out, time 46199.90
-Momenta zeroed out, time 46299.90
-Momenta zeroed out, time 46399.90
-Momenta zeroed out, time 46499.90
-Momenta zeroed out, time 46599.90
-Momenta zeroed out, time 46699.90
-Momenta zeroed out, time 46799.90
-Momenta zeroed out, time 46899.90
-Velocities reset to random values, time 46999.90
-Momenta zeroed out, time 46999.90
-Momenta zeroed out, time 47099.90
-Momenta zeroed out, time 47199.90
-Momenta zeroed out, time 47299.90
-Momenta zeroed out, time 47399.90
-Momenta zeroed out, time 47499.90
-Momenta zeroed out, time 47599.90
-Momenta zeroed out, time 47699.90
-Momenta zeroed out, time 47799.90
-Momenta zeroed out, time 47899.90
-Velocities reset to random values, time 47999.90
-Momenta zeroed out, time 47999.90
-Momenta zeroed out, time 48099.90
-Momenta zeroed out, time 48199.90
-Momenta zeroed out, time 48299.90
-Momenta zeroed out, time 48399.90
-Momenta zeroed out, time 48499.90
-Momenta zeroed out, time 48599.90
-Momenta zeroed out, time 48699.90
-Momenta zeroed out, time 48799.90
-Momenta zeroed out, time 48899.90
-Velocities reset to random values, time 48999.90
-Momenta zeroed out, time 48999.90
-Momenta zeroed out, time 49099.90
-Momenta zeroed out, time 49199.90
-Momenta zeroed out, time 49299.90
-Momenta zeroed out, time 49399.90
-Momenta zeroed out, time 49499.90
-Momenta zeroed out, time 49599.90
-Momenta zeroed out, time 49699.90
-Momenta zeroed out, time 49799.90
-Momenta zeroed out, time 49899.90
-Velocities reset to random values, time 49999.90
-Momenta zeroed out, time 49999.90
-Momenta zeroed out, time 50099.90
-Momenta zeroed out, time 50199.90
-Momenta zeroed out, time 50299.90
-Momenta zeroed out, time 50399.90
-Momenta zeroed out, time 50499.90
-Momenta zeroed out, time 50599.90
-Momenta zeroed out, time 50699.90
-Momenta zeroed out, time 50799.90
-Momenta zeroed out, time 50899.90
-Velocities reset to random values, time 50999.90
-Momenta zeroed out, time 50999.90
-Momenta zeroed out, time 51099.90
-Momenta zeroed out, time 51199.90
-Momenta zeroed out, time 51299.90
-Momenta zeroed out, time 51399.90
-Momenta zeroed out, time 51499.90
-Momenta zeroed out, time 51599.90
-Momenta zeroed out, time 51699.90
-Momenta zeroed out, time 51799.90
-Momenta zeroed out, time 51899.90
-Velocities reset to random values, time 51999.90
-Momenta zeroed out, time 51999.90
-Momenta zeroed out, time 52099.90
-Momenta zeroed out, time 52199.90
-Momenta zeroed out, time 52299.90
-Momenta zeroed out, time 52399.90
-Momenta zeroed out, time 52499.90
-Momenta zeroed out, time 52599.90
-Momenta zeroed out, time 52699.90
-Momenta zeroed out, time 52799.90
-Momenta zeroed out, time 52899.90
-Velocities reset to random values, time 52999.90
-Momenta zeroed out, time 52999.90
-Momenta zeroed out, time 53099.90
-Momenta zeroed out, time 53199.90
-Momenta zeroed out, time 53299.90
-Momenta zeroed out, time 53399.90
-Momenta zeroed out, time 53499.90
-Momenta zeroed out, time 53599.90
-Momenta zeroed out, time 53699.90
-Momenta zeroed out, time 53799.90
-Momenta zeroed out, time 53899.90
-Velocities reset to random values, time 53999.90
-Momenta zeroed out, time 53999.90
-Momenta zeroed out, time 54099.90
-Momenta zeroed out, time 54199.90
-Momenta zeroed out, time 54299.90
-Momenta zeroed out, time 54399.90
-Momenta zeroed out, time 54499.90
-Momenta zeroed out, time 54599.90
-Momenta zeroed out, time 54699.90
-Momenta zeroed out, time 54799.90
-Momenta zeroed out, time 54899.90
-Velocities reset to random values, time 54999.90
-Momenta zeroed out, time 54999.90
-Momenta zeroed out, time 55099.90
-Momenta zeroed out, time 55199.90
-Momenta zeroed out, time 55299.90
-Momenta zeroed out, time 55399.90
-Momenta zeroed out, time 55499.90
-Momenta zeroed out, time 55599.90
-Momenta zeroed out, time 55699.90
-Momenta zeroed out, time 55799.90
-Momenta zeroed out, time 55899.90
-Velocities reset to random values, time 55999.90
-Momenta zeroed out, time 55999.90
-Momenta zeroed out, time 56099.90
-Momenta zeroed out, time 56199.90
-Momenta zeroed out, time 56299.90
-Momenta zeroed out, time 56399.90
-Momenta zeroed out, time 56499.90
-Momenta zeroed out, time 56599.90
-Momenta zeroed out, time 56699.90
-Momenta zeroed out, time 56799.90
-Momenta zeroed out, time 56899.90
-Velocities reset to random values, time 56999.90
-Momenta zeroed out, time 56999.90
-Momenta zeroed out, time 57099.90
-Momenta zeroed out, time 57199.90
-Momenta zeroed out, time 57299.90
-Momenta zeroed out, time 57399.90
-Momenta zeroed out, time 57499.90
-Momenta zeroed out, time 57599.90
-Momenta zeroed out, time 57699.90
-Momenta zeroed out, time 57799.90
-Momenta zeroed out, time 57899.90
-Velocities reset to random values, time 57999.90
-Momenta zeroed out, time 57999.90
-Momenta zeroed out, time 58099.90
-Momenta zeroed out, time 58199.90
-Momenta zeroed out, time 58299.90
-Momenta zeroed out, time 58399.90
-Momenta zeroed out, time 58499.90
-Momenta zeroed out, time 58599.90
-Momenta zeroed out, time 58699.90
-Momenta zeroed out, time 58799.90
-Momenta zeroed out, time 58899.90
-Velocities reset to random values, time 58999.90
-Momenta zeroed out, time 58999.90
-Momenta zeroed out, time 59099.90
-Momenta zeroed out, time 59199.90
-Momenta zeroed out, time 59299.90
-Momenta zeroed out, time 59399.90
-Momenta zeroed out, time 59499.90
-Momenta zeroed out, time 59599.90
-Momenta zeroed out, time 59699.90
-Momenta zeroed out, time 59799.90
-Momenta zeroed out, time 59899.90
-Velocities reset to random values, time 59999.90
-Momenta zeroed out, time 59999.90
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-Momenta zeroed out, time 60799.90
-Momenta zeroed out, time 60899.90
-Velocities reset to random values, time 60999.90
-Momenta zeroed out, time 60999.90
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-Velocities reset to random values, time 61999.90
-Momenta zeroed out, time 61999.90
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-Velocities reset to random values, time 62999.90
-Momenta zeroed out, time 62999.90
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-Momenta zeroed out, time 63199.90
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-Momenta zeroed out, time 63799.90
-Momenta zeroed out, time 63899.90
-Velocities reset to random values, time 63999.90
-Momenta zeroed out, time 63999.90
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-Momenta zeroed out, time 64199.90
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-Momenta zeroed out, time 64899.90
-Velocities reset to random values, time 64999.90
-Momenta zeroed out, time 64999.90
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-Momenta zeroed out, time 65199.90
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-Momenta zeroed out, time 65799.90
-Momenta zeroed out, time 65899.90
-Velocities reset to random values, time 65999.90
-Momenta zeroed out, time 65999.90
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-Momenta zeroed out, time 66199.90
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-Momenta zeroed out, time 66799.90
-Momenta zeroed out, time 66899.90
-Velocities reset to random values, time 66999.90
-Momenta zeroed out, time 66999.90
-Momenta zeroed out, time 67099.90
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-Velocities reset to random values, time 67999.90
-Momenta zeroed out, time 67999.90
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-Momenta zeroed out, time 68199.90
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-Momenta zeroed out, time 68799.90
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-Velocities reset to random values, time 68999.90
-Momenta zeroed out, time 68999.90
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-Velocities reset to random values, time 69999.90
-Momenta zeroed out, time 69999.90
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-Velocities reset to random values, time 70999.90
-Momenta zeroed out, time 70999.90
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-Velocities reset to random values, time 71999.90
-Momenta zeroed out, time 71999.90
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-Velocities reset to random values, time 72999.90
-Momenta zeroed out, time 72999.90
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-Velocities reset to random values, time 73999.90
-Momenta zeroed out, time 73999.90
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-Velocities reset to random values, time 74999.90
-Momenta zeroed out, time 74999.90
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-Velocities reset to random values, time 75999.90
-Momenta zeroed out, time 75999.90
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-Velocities reset to random values, time 76999.90
-Momenta zeroed out, time 76999.90
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-Velocities reset to random values, time 77999.90
-Momenta zeroed out, time 77999.90
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-Velocities reset to random values, time 78999.90
-Momenta zeroed out, time 78999.90
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-Velocities reset to random values, time 79999.90
-Momenta zeroed out, time 79999.90
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-Velocities reset to random values, time 80999.90
-Momenta zeroed out, time 80999.90
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-Velocities reset to random values, time 81999.90
-Momenta zeroed out, time 81999.90
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-Velocities reset to random values, time 82999.90
-Momenta zeroed out, time 82999.90
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-Velocities reset to random values, time 83999.90
-Momenta zeroed out, time 83999.90
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-Velocities reset to random values, time 84999.90
-Momenta zeroed out, time 84999.90
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-Velocities reset to random values, time 85999.90
-Momenta zeroed out, time 85999.90
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-Velocities reset to random values, time 86999.90
-Momenta zeroed out, time 86999.90
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-Momenta zeroed out, time 87899.90
-Velocities reset to random values, time 87999.90
-Momenta zeroed out, time 87999.90
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-Momenta zeroed out, time 88799.90
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-Velocities reset to random values, time 88999.90
-Momenta zeroed out, time 88999.90
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-Momenta zeroed out, time 89799.90
-Momenta zeroed out, time 89899.90
-Velocities reset to random values, time 89999.90
-Momenta zeroed out, time 89999.90
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-Velocities reset to random values, time 90999.90
-Momenta zeroed out, time 90999.90
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-Velocities reset to random values, time 91999.90
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-Velocities reset to random values, time 92999.90
-Momenta zeroed out, time 92999.90
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-Velocities reset to random values, time 93999.90
-Momenta zeroed out, time 93999.90
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-Velocities reset to random values, time 94999.90
-Momenta zeroed out, time 94999.90
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-Momenta zeroed out, time 95199.90
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-Velocities reset to random values, time 95999.90
-Momenta zeroed out, time 95999.90
-Momenta zeroed out, time 96099.90
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-Velocities reset to random values, time 96999.90
-Momenta zeroed out, time 96999.90
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-Velocities reset to random values, time 97999.90
-Momenta zeroed out, time 97999.90
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-Momenta zeroed out, time 98799.90
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-Velocities reset to random values, time 98999.90
-Momenta zeroed out, time 98999.90
-Momenta zeroed out, time 99099.90
-Momenta zeroed out, time 99199.90
-Momenta zeroed out, time 99299.90
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-Momenta zeroed out, time 99599.90
-Momenta zeroed out, time 99699.90
-Momenta zeroed out, time 99799.90
-Momenta zeroed out, time 99899.90
-Velocities reset to random values, time 99999.90
-Momenta zeroed out, time 99999.90
-
-
-=================================== Timing ===================================
-
- MD calculations setup: 3.90625E-03
- Energy & gradient evaluation: 3.76203E+02
- Stochastic MD setup: 0.00000E+00
- Stochastic MD step setup: 0.00000E+00
- MD steps: 4.09539E+02
-
-
-============================ End of MD calculation ===========================
-CG processor 0 is finishing work.
- Total wall clock time 412.992187500000 sec
projects / unres.git / blobdiff