+++ /dev/null
---------------------------------------------------------------------------------
- FILE ASSIGNMENT
---------------------------------------------------------------------------------
- Input file : 1L2Y_MD.inp
- Output file : 1L2Y_MD.out_GB000
-
- Sidechain potential file :
- /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
- SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm
- Electrostatic potential file :
- /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
- Cumulant coefficient file :
- /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file :
- /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
- Double torsional parameter file :
- /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
- Bond & inertia constant file :
- /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
- Bending parameter file :
- /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
- Rotamer parameter file :
- /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
- Threading database :
- /users/pk376/unres-git/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 303
- compiled Mon Jul 23 17:44:56 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: 0.20000 natural units
- 9.78000 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 199.80
-Momenta zeroed out, time 399.80
-Momenta zeroed out, time 599.80
-Momenta zeroed out, time 799.80
-Momenta zeroed out, time 999.80
-Momenta zeroed out, time 1199.80
-Momenta zeroed out, time 1399.80
-Momenta zeroed out, time 1599.80
-Momenta zeroed out, time 1799.80
-Velocities reset to random values, time 1999.80
-Momenta zeroed out, time 1999.80
-Momenta zeroed out, time 2199.80
-Momenta zeroed out, time 2399.80
-Momenta zeroed out, time 2599.80
-Momenta zeroed out, time 2799.80
-Momenta zeroed out, time 2999.80
-Momenta zeroed out, time 3199.80
-Momenta zeroed out, time 3399.80
-Momenta zeroed out, time 3599.80
-Momenta zeroed out, time 3799.80
-Velocities reset to random values, time 3999.80
-Momenta zeroed out, time 3999.80
-Momenta zeroed out, time 4199.80
-Momenta zeroed out, time 4399.80
-Momenta zeroed out, time 4599.80
-Momenta zeroed out, time 4799.80
-Momenta zeroed out, time 4999.80
-Momenta zeroed out, time 5199.80
-Momenta zeroed out, time 5399.80
-Momenta zeroed out, time 5599.80
-Momenta zeroed out, time 5799.80
-Velocities reset to random values, time 5999.80
-Momenta zeroed out, time 5999.80
-Momenta zeroed out, time 6199.80
-Momenta zeroed out, time 6399.80
-Momenta zeroed out, time 6599.80
-Momenta zeroed out, time 6799.80
-Momenta zeroed out, time 6999.80
-Momenta zeroed out, time 7199.80
-Momenta zeroed out, time 7399.80
-Momenta zeroed out, time 7599.80
-Momenta zeroed out, time 7799.80
-Velocities reset to random values, time 7999.80
-Momenta zeroed out, time 7999.80
-Momenta zeroed out, time 8199.80
-Momenta zeroed out, time 8399.80
-Momenta zeroed out, time 8599.80
-Momenta zeroed out, time 8799.80
-Momenta zeroed out, time 8999.80
-Momenta zeroed out, time 9199.80
-Momenta zeroed out, time 9399.80
-Momenta zeroed out, time 9599.80
-Momenta zeroed out, time 9799.80
-Velocities reset to random values, time 9999.80
-Momenta zeroed out, time 9999.80
-Momenta zeroed out, time 10199.80
-Momenta zeroed out, time 10399.80
-Momenta zeroed out, time 10599.80
-Momenta zeroed out, time 10799.80
-Momenta zeroed out, time 10999.80
-Momenta zeroed out, time 11199.80
-Momenta zeroed out, time 11399.80
-Momenta zeroed out, time 11599.80
-Momenta zeroed out, time 11799.80
-Velocities reset to random values, time 11999.80
-Momenta zeroed out, time 11999.80
-Momenta zeroed out, time 12199.80
-Momenta zeroed out, time 12399.80
-Momenta zeroed out, time 12599.80
-Momenta zeroed out, time 12799.80
-Momenta zeroed out, time 12999.80
-Momenta zeroed out, time 13199.80
-Momenta zeroed out, time 13399.80
-Momenta zeroed out, time 13599.80
-Momenta zeroed out, time 13799.80
-Velocities reset to random values, time 13999.80
-Momenta zeroed out, time 13999.80
-Momenta zeroed out, time 14199.80
-Momenta zeroed out, time 14399.80
-Momenta zeroed out, time 14599.80
-Momenta zeroed out, time 14799.80
-Momenta zeroed out, time 14999.80
-Momenta zeroed out, time 15199.80
-Momenta zeroed out, time 15399.80
-Momenta zeroed out, time 15599.80
-Momenta zeroed out, time 15799.80
-Velocities reset to random values, time 15999.80
-Momenta zeroed out, time 15999.80
-Momenta zeroed out, time 16199.80
-Momenta zeroed out, time 16399.80
-Momenta zeroed out, time 16599.80
-Momenta zeroed out, time 16799.80
-Momenta zeroed out, time 16999.80
-Momenta zeroed out, time 17199.80
-Momenta zeroed out, time 17399.80
-Momenta zeroed out, time 17599.80
-Momenta zeroed out, time 17799.80
-Velocities reset to random values, time 17999.80
-Momenta zeroed out, time 17999.80
-Momenta zeroed out, time 18199.80
-Momenta zeroed out, time 18399.80
-Momenta zeroed out, time 18599.80
-Momenta zeroed out, time 18799.80
-Momenta zeroed out, time 18999.80
-Momenta zeroed out, time 19199.80
-Momenta zeroed out, time 19399.80
-Momenta zeroed out, time 19599.80
-Momenta zeroed out, time 19799.80
-Velocities reset to random values, time 19999.80
-Momenta zeroed out, time 19999.80
-Momenta zeroed out, time 20199.80
-Momenta zeroed out, time 20399.80
-Momenta zeroed out, time 20599.80
-Momenta zeroed out, time 20799.80
-Momenta zeroed out, time 20999.80
-Momenta zeroed out, time 21199.80
-Momenta zeroed out, time 21399.80
-Momenta zeroed out, time 21599.80
-Momenta zeroed out, time 21799.80
-Velocities reset to random values, time 21999.80
-Momenta zeroed out, time 21999.80
-Momenta zeroed out, time 22199.80
-Momenta zeroed out, time 22399.80
-Momenta zeroed out, time 22599.80
-Momenta zeroed out, time 22799.80
-Momenta zeroed out, time 22999.80
-Momenta zeroed out, time 23199.80
-Momenta zeroed out, time 23399.80
-Momenta zeroed out, time 23599.80
-Momenta zeroed out, time 23799.80
-Velocities reset to random values, time 23999.80
-Momenta zeroed out, time 23999.80
-Momenta zeroed out, time 24199.80
-Momenta zeroed out, time 24399.80
-Momenta zeroed out, time 24599.80
-Momenta zeroed out, time 24799.80
-Momenta zeroed out, time 24999.80
-Momenta zeroed out, time 25199.80
-Momenta zeroed out, time 25399.80
-Momenta zeroed out, time 25599.80
-Momenta zeroed out, time 25799.80
-Velocities reset to random values, time 25999.80
-Momenta zeroed out, time 25999.80
-Momenta zeroed out, time 26199.80
-Momenta zeroed out, time 26399.80
-Momenta zeroed out, time 26599.80
-Momenta zeroed out, time 26799.80
-Momenta zeroed out, time 26999.80
-Momenta zeroed out, time 27199.80
-Momenta zeroed out, time 27399.80
-Momenta zeroed out, time 27599.80
-Momenta zeroed out, time 27799.80
-Velocities reset to random values, time 27999.80
-Momenta zeroed out, time 27999.80
-Momenta zeroed out, time 28199.80
-Momenta zeroed out, time 28399.80
-Momenta zeroed out, time 28599.80
-Momenta zeroed out, time 28799.80
-Momenta zeroed out, time 28999.80
-Momenta zeroed out, time 29199.80
-Momenta zeroed out, time 29399.80
-Momenta zeroed out, time 29599.80
-Momenta zeroed out, time 29799.80
-Velocities reset to random values, time 29999.80
-Momenta zeroed out, time 29999.80
-Momenta zeroed out, time 30199.80
-Momenta zeroed out, time 30399.80
-Momenta zeroed out, time 30599.80
-Momenta zeroed out, time 30799.80
-Momenta zeroed out, time 30999.80
-Momenta zeroed out, time 31199.80
-Momenta zeroed out, time 31399.80
-Momenta zeroed out, time 31599.80
-Momenta zeroed out, time 31799.80
-Velocities reset to random values, time 31999.80
-Momenta zeroed out, time 31999.80
-Momenta zeroed out, time 32199.80
-Momenta zeroed out, time 32399.80
-Momenta zeroed out, time 32599.80
-Momenta zeroed out, time 32799.80
-Momenta zeroed out, time 32999.80
-Momenta zeroed out, time 33199.80
-Momenta zeroed out, time 33399.80
-Momenta zeroed out, time 33599.80
-Momenta zeroed out, time 33799.80
-Velocities reset to random values, time 33999.80
-Momenta zeroed out, time 33999.80
-Momenta zeroed out, time 34199.80
-Momenta zeroed out, time 34399.80
-Momenta zeroed out, time 34599.80
-Momenta zeroed out, time 34799.80
-Momenta zeroed out, time 34999.80
-Momenta zeroed out, time 35199.80
-Momenta zeroed out, time 35399.80
-Momenta zeroed out, time 35599.80
-Momenta zeroed out, time 35799.80
-Velocities reset to random values, time 35999.80
-Momenta zeroed out, time 35999.80
-Momenta zeroed out, time 36199.80
-Momenta zeroed out, time 36399.80
-Momenta zeroed out, time 36599.80
-Momenta zeroed out, time 36799.80
-Momenta zeroed out, time 36999.80
-Momenta zeroed out, time 37199.80
-Momenta zeroed out, time 37399.80
-Momenta zeroed out, time 37599.80
-Momenta zeroed out, time 37799.80
-Velocities reset to random values, time 37999.80
-Momenta zeroed out, time 37999.80
-Momenta zeroed out, time 38199.80
-Momenta zeroed out, time 38399.80
-Momenta zeroed out, time 38599.80
-Momenta zeroed out, time 38799.80
-Momenta zeroed out, time 38999.80
-Momenta zeroed out, time 39199.80
-Momenta zeroed out, time 39399.80
-Momenta zeroed out, time 39599.80
-Momenta zeroed out, time 39799.80
-Velocities reset to random values, time 39999.80
-Momenta zeroed out, time 39999.80
-Momenta zeroed out, time 40199.80
-Momenta zeroed out, time 40399.80
-Momenta zeroed out, time 40599.80
-Momenta zeroed out, time 40799.80
-Momenta zeroed out, time 40999.80
-Momenta zeroed out, time 41199.80
-Momenta zeroed out, time 41399.80
-Momenta zeroed out, time 41599.80
-Momenta zeroed out, time 41799.80
-Velocities reset to random values, time 41999.80
-Momenta zeroed out, time 41999.80
-Momenta zeroed out, time 42199.80
-Momenta zeroed out, time 42399.80
-Momenta zeroed out, time 42599.80
-Momenta zeroed out, time 42799.80
-Momenta zeroed out, time 42999.80
-Momenta zeroed out, time 43199.80
-Momenta zeroed out, time 43399.80
-Momenta zeroed out, time 43599.80
-Momenta zeroed out, time 43799.80
-Velocities reset to random values, time 43999.80
-Momenta zeroed out, time 43999.80
-Momenta zeroed out, time 44199.80
-Momenta zeroed out, time 44399.80
-Momenta zeroed out, time 44599.80
-Momenta zeroed out, time 44799.80
-Momenta zeroed out, time 44999.80
-Momenta zeroed out, time 45199.80
-Momenta zeroed out, time 45399.80
-Momenta zeroed out, time 45599.80
-Momenta zeroed out, time 45799.80
-Velocities reset to random values, time 45999.80
-Momenta zeroed out, time 45999.80
-Momenta zeroed out, time 46199.80
-Momenta zeroed out, time 46399.80
-Momenta zeroed out, time 46599.80
-Momenta zeroed out, time 46799.80
-Momenta zeroed out, time 46999.80
-Momenta zeroed out, time 47199.80
-Momenta zeroed out, time 47399.80
-Momenta zeroed out, time 47599.80
-Momenta zeroed out, time 47799.80
-Velocities reset to random values, time 47999.80
-Momenta zeroed out, time 47999.80
-Momenta zeroed out, time 48199.80
-Momenta zeroed out, time 48399.80
-Momenta zeroed out, time 48599.80
-Momenta zeroed out, time 48799.80
-Momenta zeroed out, time 48999.80
-Momenta zeroed out, time 49199.80
-Momenta zeroed out, time 49399.80
-Momenta zeroed out, time 49599.80
-Momenta zeroed out, time 49799.80
-Velocities reset to random values, time 49999.80
-Momenta zeroed out, time 49999.80
-Momenta zeroed out, time 50199.80
-Momenta zeroed out, time 50399.80
-Momenta zeroed out, time 50599.80
-Momenta zeroed out, time 50799.80
-Momenta zeroed out, time 50999.80
-Momenta zeroed out, time 51199.80
-Momenta zeroed out, time 51399.80
-Momenta zeroed out, time 51599.80
-Momenta zeroed out, time 51799.80
-Velocities reset to random values, time 51999.80
-Momenta zeroed out, time 51999.80
-Momenta zeroed out, time 52199.80
-Momenta zeroed out, time 52399.80
-Momenta zeroed out, time 52599.80
-Momenta zeroed out, time 52799.80
-Momenta zeroed out, time 52999.80
-Momenta zeroed out, time 53199.80
-Momenta zeroed out, time 53399.80
-Momenta zeroed out, time 53599.80
-Momenta zeroed out, time 53799.80
-Velocities reset to random values, time 53999.80
-Momenta zeroed out, time 53999.80
-Momenta zeroed out, time 54199.80
-Momenta zeroed out, time 54399.80
-Momenta zeroed out, time 54599.80
-Momenta zeroed out, time 54799.80
-Momenta zeroed out, time 54999.80
-Momenta zeroed out, time 55199.80
-Momenta zeroed out, time 55399.80
-Momenta zeroed out, time 55599.80
-Momenta zeroed out, time 55799.80
-Velocities reset to random values, time 55999.80
-Momenta zeroed out, time 55999.80
-Momenta zeroed out, time 56199.80
-Momenta zeroed out, time 56399.80
-Momenta zeroed out, time 56599.80
-Momenta zeroed out, time 56799.80
-Momenta zeroed out, time 56999.80
-Momenta zeroed out, time 57199.80
-Momenta zeroed out, time 57399.80
-Momenta zeroed out, time 57599.80
-Momenta zeroed out, time 57799.80
-Velocities reset to random values, time 57999.80
-Momenta zeroed out, time 57999.80
-Momenta zeroed out, time 58199.80
-Momenta zeroed out, time 58399.80
-Momenta zeroed out, time 58599.80
-Momenta zeroed out, time 58799.80
-Momenta zeroed out, time 58999.80
-Momenta zeroed out, time 59199.80
-Momenta zeroed out, time 59399.80
-Momenta zeroed out, time 59599.80
-Momenta zeroed out, time 59799.80
-Velocities reset to random values, time 59999.80
-Momenta zeroed out, time 59999.80
-Momenta zeroed out, time 60199.80
-Momenta zeroed out, time 60399.80
-Momenta zeroed out, time 60599.80
-Momenta zeroed out, time 60799.80
-Momenta zeroed out, time 60999.80
-Momenta zeroed out, time 61199.80
-Momenta zeroed out, time 61399.80
-Momenta zeroed out, time 61599.80
-Momenta zeroed out, time 61799.80
-Velocities reset to random values, time 61999.80
-Momenta zeroed out, time 61999.80
-Momenta zeroed out, time 62199.80
-Momenta zeroed out, time 62399.80
-Momenta zeroed out, time 62599.80
-Momenta zeroed out, time 62799.80
-Momenta zeroed out, time 62999.80
-Momenta zeroed out, time 63199.80
-Momenta zeroed out, time 63399.80
-Momenta zeroed out, time 63599.80
-Momenta zeroed out, time 63799.80
-Velocities reset to random values, time 63999.80
-Momenta zeroed out, time 63999.80
-Momenta zeroed out, time 64199.80
-Momenta zeroed out, time 64399.80
-Momenta zeroed out, time 64599.80
-Momenta zeroed out, time 64799.80
-Momenta zeroed out, time 64999.80
-Momenta zeroed out, time 65199.80
-Momenta zeroed out, time 65399.80
-Momenta zeroed out, time 65599.80
-Momenta zeroed out, time 65799.80
-Velocities reset to random values, time 65999.80
-Momenta zeroed out, time 65999.80
-Momenta zeroed out, time 66199.80
-Momenta zeroed out, time 66399.80
-Momenta zeroed out, time 66599.80
-Momenta zeroed out, time 66799.80
-Momenta zeroed out, time 66999.80
-Momenta zeroed out, time 67199.80
-Momenta zeroed out, time 67399.80
-Momenta zeroed out, time 67599.80
-Momenta zeroed out, time 67799.80
-Velocities reset to random values, time 67999.80
-Momenta zeroed out, time 67999.80
-Momenta zeroed out, time 68199.80
-Momenta zeroed out, time 68399.80
-Momenta zeroed out, time 68599.80
-Momenta zeroed out, time 68799.80
-Momenta zeroed out, time 68999.80
-Momenta zeroed out, time 69199.80
-Momenta zeroed out, time 69399.80
-Momenta zeroed out, time 69599.80
-Momenta zeroed out, time 69799.80
-Velocities reset to random values, time 69999.80
-Momenta zeroed out, time 69999.80
-Momenta zeroed out, time 70199.80
-Momenta zeroed out, time 70399.80
-Momenta zeroed out, time 70599.80
-Momenta zeroed out, time 70799.80
-Momenta zeroed out, time 70999.80
-Momenta zeroed out, time 71199.80
-Momenta zeroed out, time 71399.80
-Momenta zeroed out, time 71599.80
-Momenta zeroed out, time 71799.80
-Velocities reset to random values, time 71999.80
-Momenta zeroed out, time 71999.80
-Momenta zeroed out, time 72199.80
-Momenta zeroed out, time 72399.80
-Momenta zeroed out, time 72599.80
-Momenta zeroed out, time 72799.80
-Momenta zeroed out, time 72999.80
-Momenta zeroed out, time 73199.80
-Momenta zeroed out, time 73399.80
-Momenta zeroed out, time 73599.80
-Momenta zeroed out, time 73799.80
-Velocities reset to random values, time 73999.80
-Momenta zeroed out, time 73999.80
-Momenta zeroed out, time 74199.80
-Momenta zeroed out, time 74399.80
-Momenta zeroed out, time 74599.80
-Momenta zeroed out, time 74799.80
-Momenta zeroed out, time 74999.80
-Momenta zeroed out, time 75199.80
-Momenta zeroed out, time 75399.80
-Momenta zeroed out, time 75599.80
-Momenta zeroed out, time 75799.80
-Velocities reset to random values, time 75999.80
-Momenta zeroed out, time 75999.80
-Momenta zeroed out, time 76199.80
-Momenta zeroed out, time 76399.80
-Momenta zeroed out, time 76599.80
-Momenta zeroed out, time 76799.80
-Momenta zeroed out, time 76999.80
-Momenta zeroed out, time 77199.80
-Momenta zeroed out, time 77399.80
-Momenta zeroed out, time 77599.80
-Momenta zeroed out, time 77799.80
-Velocities reset to random values, time 77999.80
-Momenta zeroed out, time 77999.80
-Momenta zeroed out, time 78199.80
-Momenta zeroed out, time 78399.80
-Momenta zeroed out, time 78599.80
-Momenta zeroed out, time 78799.80
-Momenta zeroed out, time 78999.80
-Momenta zeroed out, time 79199.80
-Momenta zeroed out, time 79399.80
-Momenta zeroed out, time 79599.80
-Momenta zeroed out, time 79799.80
-Velocities reset to random values, time 79999.80
-Momenta zeroed out, time 79999.80
-Momenta zeroed out, time 80199.80
-Momenta zeroed out, time 80399.80
-Momenta zeroed out, time 80599.80
-Momenta zeroed out, time 80799.80
-Momenta zeroed out, time 80999.80
-Momenta zeroed out, time 81199.80
-Momenta zeroed out, time 81399.80
-Momenta zeroed out, time 81599.80
-Momenta zeroed out, time 81799.80
-Velocities reset to random values, time 81999.80
-Momenta zeroed out, time 81999.80
-Momenta zeroed out, time 82199.80
-Momenta zeroed out, time 82399.80
-Momenta zeroed out, time 82599.80
-Momenta zeroed out, time 82799.80
-Momenta zeroed out, time 82999.80
-Momenta zeroed out, time 83199.80
-Momenta zeroed out, time 83399.80
-Momenta zeroed out, time 83599.80
-Momenta zeroed out, time 83799.80
-Velocities reset to random values, time 83999.80
-Momenta zeroed out, time 83999.80
-Momenta zeroed out, time 84199.80
-Momenta zeroed out, time 84399.80
-Momenta zeroed out, time 84599.80
-Momenta zeroed out, time 84799.80
-Momenta zeroed out, time 84999.80
-Momenta zeroed out, time 85199.80
-Momenta zeroed out, time 85399.80
-Momenta zeroed out, time 85599.80
-Momenta zeroed out, time 85799.80
-Velocities reset to random values, time 85999.80
-Momenta zeroed out, time 85999.80
-Momenta zeroed out, time 86199.80
-Momenta zeroed out, time 86399.80
-Momenta zeroed out, time 86599.80
-Momenta zeroed out, time 86799.80
-Momenta zeroed out, time 86999.80
-Momenta zeroed out, time 87199.80
-Momenta zeroed out, time 87399.80
-Momenta zeroed out, time 87599.80
-Momenta zeroed out, time 87799.80
-Velocities reset to random values, time 87999.80
-Momenta zeroed out, time 87999.80
-Momenta zeroed out, time 88199.80
-Momenta zeroed out, time 88399.80
-Momenta zeroed out, time 88599.80
-Momenta zeroed out, time 88799.80
-Momenta zeroed out, time 88999.80
-Momenta zeroed out, time 89199.80
-Momenta zeroed out, time 89399.80
-Momenta zeroed out, time 89599.80
-Momenta zeroed out, time 89799.80
-Velocities reset to random values, time 89999.80
-Momenta zeroed out, time 89999.80
-Momenta zeroed out, time 90199.80
-Momenta zeroed out, time 90399.80
-Momenta zeroed out, time 90599.80
-Momenta zeroed out, time 90799.80
-Momenta zeroed out, time 90999.80
-Momenta zeroed out, time 91199.80
-Momenta zeroed out, time 91399.80
-Momenta zeroed out, time 91599.80
-Momenta zeroed out, time 91799.80
-Velocities reset to random values, time 91999.80
-Momenta zeroed out, time 91999.80
-Momenta zeroed out, time 92199.80
-Momenta zeroed out, time 92399.80
-Momenta zeroed out, time 92599.80
-Momenta zeroed out, time 92799.80
-Momenta zeroed out, time 92999.80
-Momenta zeroed out, time 93199.80
-Momenta zeroed out, time 93399.80
-Momenta zeroed out, time 93599.80
-Momenta zeroed out, time 93799.80
-Velocities reset to random values, time 93999.80
-Momenta zeroed out, time 93999.80
-Momenta zeroed out, time 94199.80
-Momenta zeroed out, time 94399.80
-Momenta zeroed out, time 94599.80
-Momenta zeroed out, time 94799.80
-Momenta zeroed out, time 94999.80
-Momenta zeroed out, time 95199.80
-Momenta zeroed out, time 95399.80
-Momenta zeroed out, time 95599.80
-Momenta zeroed out, time 95799.80
-Velocities reset to random values, time 95999.80
-Momenta zeroed out, time 95999.80
-Momenta zeroed out, time 96199.80
-Momenta zeroed out, time 96399.80
-Momenta zeroed out, time 96599.80
-Momenta zeroed out, time 96799.80
-Momenta zeroed out, time 96999.80
-Momenta zeroed out, time 97199.80
-Momenta zeroed out, time 97399.80
-Momenta zeroed out, time 97599.80
-Momenta zeroed out, time 97799.80
-Velocities reset to random values, time 97999.80
-Momenta zeroed out, time 97999.80
-Momenta zeroed out, time 98199.80
-Momenta zeroed out, time 98399.80
-Momenta zeroed out, time 98599.80
-Momenta zeroed out, time 98799.80
-Momenta zeroed out, time 98999.80
-Momenta zeroed out, time 99199.80
-Momenta zeroed out, time 99399.80
-Momenta zeroed out, time 99599.80
-Momenta zeroed out, time 99799.80
-Velocities reset to random values, time 99999.80
-Momenta zeroed out, time 99999.80
-Momenta zeroed out, time 100199.80
-Momenta zeroed out, time 100399.80
-Momenta zeroed out, time 100599.80
-Momenta zeroed out, time 100799.80
-Momenta zeroed out, time 100999.80
-Momenta zeroed out, time 101199.80
-Momenta zeroed out, time 101399.80
-Momenta zeroed out, time 101599.80
-Momenta zeroed out, time 101799.80
-Velocities reset to random values, time 101999.80
-Momenta zeroed out, time 101999.80
-Momenta zeroed out, time 102199.80
-Momenta zeroed out, time 102399.80
-Momenta zeroed out, time 102599.80
-Momenta zeroed out, time 102799.80
-Momenta zeroed out, time 102999.80
-Momenta zeroed out, time 103199.80
-Momenta zeroed out, time 103399.80
-Momenta zeroed out, time 103599.80
-Momenta zeroed out, time 103799.80
-Velocities reset to random values, time 103999.80
-Momenta zeroed out, time 103999.80
-Momenta zeroed out, time 104199.80
-Momenta zeroed out, time 104399.80
-Momenta zeroed out, time 104599.80
-Momenta zeroed out, time 104799.80
-Momenta zeroed out, time 104999.80
-Momenta zeroed out, time 105199.80
-Momenta zeroed out, time 105399.80
-Momenta zeroed out, time 105599.80
-Momenta zeroed out, time 105799.80
-Velocities reset to random values, time 105999.80
-Momenta zeroed out, time 105999.80
-Momenta zeroed out, time 106199.80
-Momenta zeroed out, time 106399.80
-Momenta zeroed out, time 106599.80
-Momenta zeroed out, time 106799.80
-Momenta zeroed out, time 106999.80
-Momenta zeroed out, time 107199.80
-Momenta zeroed out, time 107399.80
-Momenta zeroed out, time 107599.80
-Momenta zeroed out, time 107799.80
-Velocities reset to random values, time 107999.80
-Momenta zeroed out, time 107999.80
-Momenta zeroed out, time 108199.80
-Momenta zeroed out, time 108399.80
-Momenta zeroed out, time 108599.80
-Momenta zeroed out, time 108799.80
-Momenta zeroed out, time 108999.80
-Momenta zeroed out, time 109199.80
-Momenta zeroed out, time 109399.80
-Momenta zeroed out, time 109599.80
-Momenta zeroed out, time 109799.80
-Velocities reset to random values, time 109999.80
-Momenta zeroed out, time 109999.80
-Momenta zeroed out, time 110199.80
-Momenta zeroed out, time 110399.80
-Momenta zeroed out, time 110599.80
-Momenta zeroed out, time 110799.80
-Momenta zeroed out, time 110999.80
-Momenta zeroed out, time 111199.80
-Momenta zeroed out, time 111399.80
-Momenta zeroed out, time 111599.80
-Momenta zeroed out, time 111799.80
-Velocities reset to random values, time 111999.80
-Momenta zeroed out, time 111999.80
-Momenta zeroed out, time 112199.80
-Momenta zeroed out, time 112399.80
-Momenta zeroed out, time 112599.80
-Momenta zeroed out, time 112799.80
-Momenta zeroed out, time 112999.80
-Momenta zeroed out, time 113199.80
-Momenta zeroed out, time 113399.80
-Momenta zeroed out, time 113599.80
-Momenta zeroed out, time 113799.80
-Velocities reset to random values, time 113999.80
-Momenta zeroed out, time 113999.80
-Momenta zeroed out, time 114199.80
-Momenta zeroed out, time 114399.80
-Momenta zeroed out, time 114599.80
-Momenta zeroed out, time 114799.80
-Momenta zeroed out, time 114999.80
-Momenta zeroed out, time 115199.80
-Momenta zeroed out, time 115399.80
-Momenta zeroed out, time 115599.80
-Momenta zeroed out, time 115799.80
-Velocities reset to random values, time 115999.80
-Momenta zeroed out, time 115999.80
-Momenta zeroed out, time 116199.80
-Momenta zeroed out, time 116399.80
-Momenta zeroed out, time 116599.80
-Momenta zeroed out, time 116799.80
-Momenta zeroed out, time 116999.80
-Momenta zeroed out, time 117199.80
-Momenta zeroed out, time 117399.80
-Momenta zeroed out, time 117599.80
-Momenta zeroed out, time 117799.80
-Velocities reset to random values, time 117999.80
-Momenta zeroed out, time 117999.80
-Momenta zeroed out, time 118199.80
-Momenta zeroed out, time 118399.80
-Momenta zeroed out, time 118599.80
-Momenta zeroed out, time 118799.80
-Momenta zeroed out, time 118999.80
-Momenta zeroed out, time 119199.80
-Momenta zeroed out, time 119399.80
-Momenta zeroed out, time 119599.80
-Momenta zeroed out, time 119799.80
-Velocities reset to random values, time 119999.80
-Momenta zeroed out, time 119999.80
-Momenta zeroed out, time 120199.80
-Momenta zeroed out, time 120399.80
-Momenta zeroed out, time 120599.80
-Momenta zeroed out, time 120799.80
-Momenta zeroed out, time 120999.80
-Momenta zeroed out, time 121199.80
-Momenta zeroed out, time 121399.80
-Momenta zeroed out, time 121599.80
-Momenta zeroed out, time 121799.80
-Velocities reset to random values, time 121999.80
-Momenta zeroed out, time 121999.80
-Momenta zeroed out, time 122199.80
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-Momenta zeroed out, time 122599.80
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-Momenta zeroed out, time 122999.80
-Momenta zeroed out, time 123199.80
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-Velocities reset to random values, time 123999.80
-Momenta zeroed out, time 123999.80
-Momenta zeroed out, time 124199.80
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-Momenta zeroed out, time 124999.80
-Momenta zeroed out, time 125199.80
-Momenta zeroed out, time 125399.80
-Momenta zeroed out, time 125599.80
-Momenta zeroed out, time 125799.80
-Velocities reset to random values, time 125999.80
-Momenta zeroed out, time 125999.80
-Momenta zeroed out, time 126199.80
-Momenta zeroed out, time 126399.80
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-Momenta zeroed out, time 126999.80
-Momenta zeroed out, time 127199.80
-Momenta zeroed out, time 127399.80
-Momenta zeroed out, time 127599.80
-Momenta zeroed out, time 127799.80
-Velocities reset to random values, time 127999.80
-Momenta zeroed out, time 127999.80
-Momenta zeroed out, time 128199.80
-Momenta zeroed out, time 128399.80
-Momenta zeroed out, time 128599.80
-Momenta zeroed out, time 128799.80
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-Momenta zeroed out, time 129199.80
-Momenta zeroed out, time 129399.80
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-Momenta zeroed out, time 129799.80
-Velocities reset to random values, time 129999.80
-Momenta zeroed out, time 129999.80
-Momenta zeroed out, time 130199.80
-Momenta zeroed out, time 130399.80
-Momenta zeroed out, time 130599.80
-Momenta zeroed out, time 130799.80
-Momenta zeroed out, time 130999.80
-Momenta zeroed out, time 131199.80
-Momenta zeroed out, time 131399.80
-Momenta zeroed out, time 131599.80
-Momenta zeroed out, time 131799.80
-Velocities reset to random values, time 131999.80
-Momenta zeroed out, time 131999.80
-Momenta zeroed out, time 132199.80
-Momenta zeroed out, time 132399.80
-Momenta zeroed out, time 132599.80
-Momenta zeroed out, time 132799.80
-Momenta zeroed out, time 132999.80
-Momenta zeroed out, time 133199.80
-Momenta zeroed out, time 133399.80
-Momenta zeroed out, time 133599.80
-Momenta zeroed out, time 133799.80
-Velocities reset to random values, time 133999.80
-Momenta zeroed out, time 133999.80
-Momenta zeroed out, time 134199.80
-Momenta zeroed out, time 134399.80
-Momenta zeroed out, time 134599.80
-Momenta zeroed out, time 134799.80
-Momenta zeroed out, time 134999.80
-Momenta zeroed out, time 135199.80
-Momenta zeroed out, time 135399.80
-Momenta zeroed out, time 135599.80
-Momenta zeroed out, time 135799.80
-Velocities reset to random values, time 135999.80
-Momenta zeroed out, time 135999.80
-Momenta zeroed out, time 136199.80
-Momenta zeroed out, time 136399.80
-Momenta zeroed out, time 136599.80
-Momenta zeroed out, time 136799.80
-Momenta zeroed out, time 136999.80
-Momenta zeroed out, time 137199.80
-Momenta zeroed out, time 137399.80
-Momenta zeroed out, time 137599.80
-Momenta zeroed out, time 137799.80
-Velocities reset to random values, time 137999.80
-Momenta zeroed out, time 137999.80
-Momenta zeroed out, time 138199.80
-Momenta zeroed out, time 138399.80
-Momenta zeroed out, time 138599.80
-Momenta zeroed out, time 138799.80
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-Momenta zeroed out, time 139399.80
-Momenta zeroed out, time 139599.80
-Momenta zeroed out, time 139799.80
-Velocities reset to random values, time 139999.80
-Momenta zeroed out, time 139999.80
-Momenta zeroed out, time 140199.80
-Momenta zeroed out, time 140399.80
-Momenta zeroed out, time 140599.80
-Momenta zeroed out, time 140799.80
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-Momenta zeroed out, time 141199.80
-Momenta zeroed out, time 141399.80
-Momenta zeroed out, time 141599.80
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-Velocities reset to random values, time 141999.80
-Momenta zeroed out, time 141999.80
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-Velocities reset to random values, time 143999.80
-Momenta zeroed out, time 143999.80
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-Velocities reset to random values, time 145999.80
-Momenta zeroed out, time 145999.80
-Momenta zeroed out, time 146199.80
-Momenta zeroed out, time 146399.80
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-Momenta zeroed out, time 147799.80
-Velocities reset to random values, time 147999.80
-Momenta zeroed out, time 147999.80
-Momenta zeroed out, time 148199.80
-Momenta zeroed out, time 148399.80
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-Momenta zeroed out, time 149199.80
-Momenta zeroed out, time 149399.80
-Momenta zeroed out, time 149599.80
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-Velocities reset to random values, time 149999.80
-Momenta zeroed out, time 149999.80
-Momenta zeroed out, time 150199.80
-Momenta zeroed out, time 150399.80
-Momenta zeroed out, time 150599.80
-Momenta zeroed out, time 150799.80
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-Momenta zeroed out, time 151399.80
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-Momenta zeroed out, time 151799.80
-Velocities reset to random values, time 151999.80
-Momenta zeroed out, time 151999.80
-Momenta zeroed out, time 152199.80
-Momenta zeroed out, time 152399.80
-Momenta zeroed out, time 152599.80
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-Momenta zeroed out, time 153599.80
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-Velocities reset to random values, time 153999.80
-Momenta zeroed out, time 153999.80
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-Momenta zeroed out, time 154399.80
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-Momenta zeroed out, time 155399.80
-Momenta zeroed out, time 155599.80
-Momenta zeroed out, time 155799.80
-Velocities reset to random values, time 155999.80
-Momenta zeroed out, time 155999.80
-Momenta zeroed out, time 156199.80
-Momenta zeroed out, time 156399.80
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-Momenta zeroed out, time 157199.80
-Momenta zeroed out, time 157399.80
-Momenta zeroed out, time 157599.80
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-Velocities reset to random values, time 157999.80
-Momenta zeroed out, time 157999.80
-Momenta zeroed out, time 158199.80
-Momenta zeroed out, time 158399.80
-Momenta zeroed out, time 158599.80
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-Momenta zeroed out, time 159599.80
-Momenta zeroed out, time 159799.80
-Velocities reset to random values, time 159999.80
-Momenta zeroed out, time 159999.80
-Momenta zeroed out, time 160199.80
-Momenta zeroed out, time 160399.80
-Momenta zeroed out, time 160599.80
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-Momenta zeroed out, time 160999.80
-Momenta zeroed out, time 161199.80
-Momenta zeroed out, time 161399.80
-Momenta zeroed out, time 161599.80
-Momenta zeroed out, time 161799.80
-Velocities reset to random values, time 161999.80
-Momenta zeroed out, time 161999.80
-Momenta zeroed out, time 162199.80
-Momenta zeroed out, time 162399.80
-Momenta zeroed out, time 162599.80
-Momenta zeroed out, time 162799.80
-Momenta zeroed out, time 162999.80
-Momenta zeroed out, time 163199.80
-Momenta zeroed out, time 163399.80
-Momenta zeroed out, time 163599.80
-Momenta zeroed out, time 163799.80
-Velocities reset to random values, time 163999.80
-Momenta zeroed out, time 163999.80
-Momenta zeroed out, time 164199.80
-Momenta zeroed out, time 164399.80
-Momenta zeroed out, time 164599.80
-Momenta zeroed out, time 164799.80
-Momenta zeroed out, time 164999.80
- acceleration/energy drift too large 4.78866517478933
- 19.4195863520427 split increased to 2 itime 825272
- itsplit 1
-Momenta zeroed out, time 165199.80
-Momenta zeroed out, time 165399.80
-Momenta zeroed out, time 165599.80
-Momenta zeroed out, time 165799.80
-Velocities reset to random values, time 165999.80
-Momenta zeroed out, time 165999.80
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-Momenta zeroed out, time 166399.80
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-Momenta zeroed out, time 166999.80
-Momenta zeroed out, time 167199.80
-Momenta zeroed out, time 167399.80
-Momenta zeroed out, time 167599.80
-Momenta zeroed out, time 167799.80
-Velocities reset to random values, time 167999.80
-Momenta zeroed out, time 167999.80
-Momenta zeroed out, time 168199.80
-Momenta zeroed out, time 168399.80
-Momenta zeroed out, time 168599.80
-Momenta zeroed out, time 168799.80
-Momenta zeroed out, time 168999.80
-Momenta zeroed out, time 169199.80
-Momenta zeroed out, time 169399.80
-Momenta zeroed out, time 169599.80
-Momenta zeroed out, time 169799.80
-Velocities reset to random values, time 169999.80
-Momenta zeroed out, time 169999.80
-Momenta zeroed out, time 170199.80
-Momenta zeroed out, time 170399.80
-Momenta zeroed out, time 170599.80
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-Momenta zeroed out, time 171199.80
-Momenta zeroed out, time 171399.80
-Momenta zeroed out, time 171599.80
-Momenta zeroed out, time 171799.80
-Velocities reset to random values, time 171999.80
-Momenta zeroed out, time 171999.80
-Momenta zeroed out, time 172199.80
-Momenta zeroed out, time 172399.80
-Momenta zeroed out, time 172599.80
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-Momenta zeroed out, time 172999.80
-Momenta zeroed out, time 173199.80
-Momenta zeroed out, time 173399.80
-Momenta zeroed out, time 173599.80
-Momenta zeroed out, time 173799.80
-Velocities reset to random values, time 173999.80
-Momenta zeroed out, time 173999.80
-Momenta zeroed out, time 174199.80
-Momenta zeroed out, time 174399.80
-Momenta zeroed out, time 174599.80
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-Momenta zeroed out, time 174999.80
-Momenta zeroed out, time 175199.80
-Momenta zeroed out, time 175399.80
-Momenta zeroed out, time 175599.80
-Momenta zeroed out, time 175799.80
-Velocities reset to random values, time 175999.80
-Momenta zeroed out, time 175999.80
-Momenta zeroed out, time 176199.80
-Momenta zeroed out, time 176399.80
-Momenta zeroed out, time 176599.80
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-Momenta zeroed out, time 177199.80
-Momenta zeroed out, time 177399.80
-Momenta zeroed out, time 177599.80
-Momenta zeroed out, time 177799.80
-Velocities reset to random values, time 177999.80
-Momenta zeroed out, time 177999.80
-Momenta zeroed out, time 178199.80
-Momenta zeroed out, time 178399.80
-Momenta zeroed out, time 178599.80
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-Momenta zeroed out, time 179199.80
-Momenta zeroed out, time 179399.80
-Momenta zeroed out, time 179599.80
-Momenta zeroed out, time 179799.80
-Velocities reset to random values, time 179999.80
-Momenta zeroed out, time 179999.80
-Momenta zeroed out, time 180199.80
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-Momenta zeroed out, time 181399.80
-Momenta zeroed out, time 181599.80
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-Velocities reset to random values, time 181999.80
-Momenta zeroed out, time 181999.80
-Momenta zeroed out, time 182199.80
-Momenta zeroed out, time 182399.80
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-Velocities reset to random values, time 183999.80
-Momenta zeroed out, time 183999.80
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-Velocities reset to random values, time 185999.80
-Momenta zeroed out, time 185999.80
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-Velocities reset to random values, time 187999.80
-Momenta zeroed out, time 187999.80
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-Momenta zeroed out, time 188399.80
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-Velocities reset to random values, time 189999.80
-Momenta zeroed out, time 189999.80
-Momenta zeroed out, time 190199.80
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-Momenta zeroed out, time 191799.80
-Velocities reset to random values, time 191999.80
-Momenta zeroed out, time 191999.80
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-Velocities reset to random values, time 193999.80
-Momenta zeroed out, time 193999.80
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-Momenta zeroed out, time 195599.80
-Momenta zeroed out, time 195799.80
-Velocities reset to random values, time 195999.80
-Momenta zeroed out, time 195999.80
-Momenta zeroed out, time 196199.80
-Momenta zeroed out, time 196399.80
-Momenta zeroed out, time 196599.80
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-Momenta zeroed out, time 196999.80
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-Velocities reset to random values, time 197999.80
-Momenta zeroed out, time 197999.80
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-Momenta zeroed out, time 198399.80
-Momenta zeroed out, time 198599.80
-Momenta zeroed out, time 198799.80
-Momenta zeroed out, time 198999.80
-Momenta zeroed out, time 199199.80
-Momenta zeroed out, time 199399.80
-Momenta zeroed out, time 199599.80
-Momenta zeroed out, time 199799.80
-Velocities reset to random values, time 199999.80
-Momenta zeroed out, time 199999.80
-
-
-=================================== Timing ===================================
-
- MD calculations setup: 3.51562E-02
- Energy & gradient evaluation: 3.77250E+02
- Stochastic MD setup: 0.00000E+00
- Stochastic MD step setup: 0.00000E+00
- MD steps: 4.14176E+02
-
-
-============================ End of MD calculation ===========================
-CG processor 0 is finishing work.
- Total wall clock time 414.414062500000 sec
projects / unres.git / blobdiff