X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro.out_GB000;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro.out_GB000;h=d1c2aeb28bf4f92b96f07fd8a2310f368bcab585;hb=c2f78e399d8319a61116e8cb9833cfc6fca9aeb3;hp=01b86181f09aeb995b61a414248b519a6eb89bd7;hpb=3fc7e5eaa3b384501e4864c64ade3c92121fa283;p=unres.git diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000 b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000 index 01b8618..d1c2aeb 100644 --- a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000 +++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000 @@ -30,8 +30,8 @@ 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 + 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 @@ -83,18 +83,14 @@ 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 -Maximum acceleration threshold to reduce the time step/increase split number: 10.00000 + Initial time step of numerical integration: 0.01000 natural units + 0.48900 fs +Maximum acceleration threshold to reduce the time step/increase split number: 20.00000 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 +Microcanonical mode calculation ============================== End of MD run setup ============================= @@ -244,32 +240,31 @@ nsup= 20 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 +ASN 2 3.861 0.000 0.000 1.977 94.624 -178.093 +LEU 3 3.876 92.239 0.000 2.195 102.878 -79.236 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 1.692 144.011 -104.516 +GLN 6 3.846 89.090 55.194 2.338 170.986 -139.318 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.105 151.723 -105.899 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 0.000 0.000 0.000 ******************************************************************************** @@ -310,1203 +305,103 @@ Mesoscopic molecular dynamics (MD) calculation. 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 + 4.226504204090251E-017 -1.020894735287500E-018 -4.083578941150001E-019 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 +ASN( 2) 3.86050 0.00000 0.00000 2.55159 1.47985 0.06557 +LEU( 3) 4.01193 -3.87344 0.00000 3.96088 -4.50305 -2.10206 +TYR( 4) 7.87243 -3.87344 0.00000 10.79652 -4.89021 -1.22632 +ILE( 5) 7.89655 -1.17680 2.77774 7.76075 0.44675 2.31935 +GLN( 6) 5.70141 -3.47509 4.94285 3.60888 -3.02771 5.88565 +TRP( 7) 8.16996 -6.36206 4.22016 10.77228 -8.29798 2.61912 +LEU( 8) 11.25658 -4.20989 5.07405 12.42370 -3.38205 3.52958 +LYS( 9) 9.76612 -2.79308 8.36640 6.86736 -2.82804 9.12493 +ASP( 10) 9.49962 -6.42561 9.64741 7.69328 -7.25489 9.53489 +GLY( 11) 13.31647 -6.90493 9.06335 13.31647 -6.90493 9.06335 +GLY( 12) 13.30671 -8.01769 5.36352 13.30671 -8.01769 5.36352 +PRO( 13) 15.31165 -11.32992 5.02827 16.17763 -10.48298 4.32295 +SER( 14) 15.75414 -11.41497 8.87760 16.77305 -10.71800 9.16233 +SER( 15) 11.95328 -11.92981 9.42670 11.12717 -10.97987 9.51528 +GLY( 16) 11.45094 -15.53878 8.13618 11.45094 -15.53878 8.13618 +ARG( 17) 9.54906 -14.31220 5.00147 7.79760 -12.40573 7.22288 +PRO( 18) 10.53690 -13.94710 1.26956 9.62009 -14.99504 1.15440 +PRO( 19) 10.30439 -10.55356 -0.55592 11.52337 -10.99526 -1.06954 +PRO( 20) 6.99735 -9.68439 -2.34313 7.03150 -8.66136 -1.39345 +SER( 21) 7.20688 -9.78655 -6.20031 7.28380 -10.16020 -6.79638 +D ( 22) 3.89984 -8.91739 -7.98752 3.89984 -8.91739 -7.98752 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 +ASN 2 3.861 0.000 0.000 1.977 94.624 -178.093 +LEU 3 3.876 92.239 0.000 2.195 102.878 -79.236 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 1.692 144.011 -104.516 +GLN 6 3.846 89.090 55.194 2.338 170.986 -139.318 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.105 151.723 -105.899 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 180.000 180.000 +GLY 12 3.864 100.181 -87.304 0.000 180.000 180.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 180.000 180.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 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) +EVDW= -1.798849E+01 WEIGHT= 1.000000D+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.233150D+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 8.447600D-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 2.317300D-01 (p-p VDW) +ESTR= 5.659036E+01 WEIGHT= 1.000000D+00 (stretching) +EBE= -5.669935E+00 WEIGHT= 6.295400D-01 (bending) +ESC= 1.734458E+02 WEIGHT= 1.055400D-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.843160D+00 (torsional) +ETORSD= 1.006444E+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) +ECORR4= -6.528803E+01 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) +EELLO= -4.012900E+00 WEIGHT= 3.735700D-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.403230D+00 (turns, 3rd order) +ETURN4= 6.580750E-01 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) +ETOT= 6.386200E+01 (total) Initial: - Kinetic energy 3.16218E+01 - potential energy 1.15074E+02 - total energy 1.46696E+02 + Kinetic energy 3.07644E+01 + potential energy 6.38620E+01 + total energy 9.46264E+01 - maximum acceleration 4.85027E+00 + maximum acceleration 1.97191E+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 -Momenta zeroed out, time 60099.90 -Momenta zeroed out, time 60199.90 -Momenta zeroed out, time 60299.90 -Momenta zeroed out, time 60399.90 -Momenta zeroed out, time 60499.90 -Momenta zeroed out, time 60599.90 -Momenta zeroed out, time 60699.90 -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 -Momenta zeroed out, time 61099.90 -Momenta zeroed out, time 61199.90 -Momenta zeroed out, time 61299.90 -Momenta zeroed out, time 61399.90 -Momenta zeroed out, time 61499.90 -Momenta zeroed out, time 61599.90 -Momenta zeroed out, time 61699.90 -Momenta zeroed out, time 61799.90 -Momenta zeroed out, time 61899.90 -Velocities reset to random values, time 61999.90 -Momenta zeroed out, time 61999.90 -Momenta zeroed out, time 62099.90 -Momenta zeroed out, time 62199.90 -Momenta zeroed out, time 62299.90 -Momenta zeroed out, time 62399.90 -Momenta zeroed out, time 62499.90 -Momenta zeroed out, time 62599.90 -Momenta zeroed out, time 62699.90 -Momenta zeroed out, time 62799.90 -Momenta zeroed out, time 62899.90 -Velocities reset to random values, time 62999.90 -Momenta zeroed out, time 62999.90 -Momenta zeroed out, time 63099.90 -Momenta zeroed out, time 63199.90 -Momenta zeroed out, time 63299.90 -Momenta zeroed out, time 63399.90 -Momenta zeroed out, time 63499.90 -Momenta zeroed out, time 63599.90 -Momenta zeroed out, time 63699.90 -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 -Momenta zeroed out, time 64099.90 -Momenta zeroed out, time 64199.90 -Momenta zeroed out, time 64299.90 -Momenta zeroed out, time 64399.90 -Momenta zeroed out, time 64499.90 -Momenta zeroed out, time 64599.90 -Momenta zeroed out, time 64699.90 -Momenta zeroed out, time 64799.90 -Momenta zeroed out, time 64899.90 -Velocities reset to random values, time 64999.90 -Momenta zeroed out, time 64999.90 -Momenta zeroed out, time 65099.90 -Momenta zeroed out, time 65199.90 -Momenta zeroed out, time 65299.90 -Momenta zeroed out, time 65399.90 -Momenta zeroed out, time 65499.90 -Momenta zeroed out, time 65599.90 -Momenta zeroed out, time 65699.90 -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 -Momenta zeroed out, time 66099.90 -Momenta zeroed out, time 66199.90 -Momenta zeroed out, time 66299.90 -Momenta zeroed out, time 66399.90 -Momenta zeroed out, time 66499.90 -Momenta zeroed out, time 66599.90 -Momenta zeroed out, time 66699.90 -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 -Momenta zeroed out, time 67199.90 -Momenta zeroed out, time 67299.90 -Momenta zeroed out, time 67399.90 -Momenta zeroed out, time 67499.90 -Momenta zeroed out, time 67599.90 -Momenta zeroed out, time 67699.90 -Momenta zeroed out, time 67799.90 -Momenta zeroed out, time 67899.90 -Velocities reset to random values, time 67999.90 -Momenta zeroed out, time 67999.90 -Momenta zeroed out, time 68099.90 -Momenta zeroed out, time 68199.90 -Momenta zeroed out, time 68299.90 -Momenta zeroed out, time 68399.90 -Momenta zeroed out, time 68499.90 -Momenta zeroed out, time 68599.90 -Momenta zeroed out, time 68699.90 -Momenta zeroed out, time 68799.90 -Momenta zeroed out, time 68899.90 -Velocities reset to random values, time 68999.90 -Momenta zeroed out, time 68999.90 -Momenta zeroed out, time 69099.90 -Momenta zeroed out, time 69199.90 -Momenta zeroed out, time 69299.90 -Momenta zeroed out, time 69399.90 -Momenta zeroed out, time 69499.90 -Momenta zeroed out, time 69599.90 -Momenta zeroed out, time 69699.90 -Momenta zeroed out, time 69799.90 -Momenta zeroed out, time 69899.90 -Velocities reset to random values, time 69999.90 -Momenta zeroed out, time 69999.90 -Momenta zeroed out, time 70099.90 -Momenta zeroed out, time 70199.90 -Momenta zeroed out, time 70299.90 -Momenta zeroed out, time 70399.90 -Momenta zeroed out, time 70499.90 -Momenta zeroed out, time 70599.90 -Momenta zeroed out, time 70699.90 -Momenta zeroed out, time 70799.90 -Momenta zeroed out, time 70899.90 -Velocities reset to random values, time 70999.90 -Momenta zeroed out, time 70999.90 -Momenta zeroed out, time 71099.90 -Momenta zeroed out, time 71199.90 -Momenta zeroed out, time 71299.90 -Momenta zeroed out, time 71399.90 -Momenta zeroed out, time 71499.90 -Momenta zeroed out, time 71599.90 -Momenta zeroed out, time 71699.90 -Momenta zeroed out, time 71799.90 -Momenta zeroed out, time 71899.90 -Velocities reset to random values, time 71999.90 -Momenta zeroed out, time 71999.90 -Momenta zeroed out, time 72099.90 -Momenta zeroed out, time 72199.90 -Momenta zeroed out, time 72299.90 -Momenta zeroed out, time 72399.90 -Momenta zeroed out, time 72499.90 -Momenta zeroed out, time 72599.90 -Momenta zeroed out, time 72699.90 -Momenta zeroed out, time 72799.90 -Momenta zeroed out, time 72899.90 -Velocities reset to random values, time 72999.90 -Momenta zeroed out, time 72999.90 -Momenta zeroed out, time 73099.90 -Momenta zeroed out, time 73199.90 -Momenta zeroed out, time 73299.90 -Momenta zeroed out, time 73399.90 -Momenta zeroed out, time 73499.90 -Momenta zeroed out, time 73599.90 -Momenta zeroed out, time 73699.90 -Momenta zeroed out, time 73799.90 -Momenta zeroed out, time 73899.90 -Velocities reset to random values, time 73999.90 -Momenta zeroed out, time 73999.90 -Momenta zeroed out, time 74099.90 -Momenta zeroed out, time 74199.90 -Momenta zeroed out, time 74299.90 -Momenta zeroed out, time 74399.90 -Momenta zeroed out, time 74499.90 -Momenta zeroed out, time 74599.90 -Momenta zeroed out, time 74699.90 -Momenta zeroed out, time 74799.90 -Momenta zeroed out, time 74899.90 -Velocities reset to random values, time 74999.90 -Momenta zeroed out, time 74999.90 -Momenta zeroed out, time 75099.90 -Momenta zeroed out, time 75199.90 -Momenta zeroed out, time 75299.90 -Momenta zeroed out, time 75399.90 -Momenta zeroed out, time 75499.90 -Momenta zeroed out, time 75599.90 -Momenta zeroed out, time 75699.90 -Momenta zeroed out, time 75799.90 -Momenta zeroed out, time 75899.90 -Velocities reset to random values, time 75999.90 -Momenta zeroed out, time 75999.90 -Momenta zeroed out, time 76099.90 -Momenta zeroed out, time 76199.90 -Momenta zeroed out, time 76299.90 -Momenta zeroed out, time 76399.90 -Momenta zeroed out, time 76499.90 -Momenta zeroed out, time 76599.90 -Momenta zeroed out, time 76699.90 -Momenta zeroed out, time 76799.90 -Momenta zeroed out, time 76899.90 -Velocities reset to random values, time 76999.90 -Momenta zeroed out, time 76999.90 -Momenta zeroed out, time 77099.90 -Momenta zeroed out, time 77199.90 -Momenta zeroed out, time 77299.90 -Momenta zeroed out, time 77399.90 -Momenta zeroed out, time 77499.90 -Momenta zeroed out, time 77599.90 -Momenta zeroed out, time 77699.90 -Momenta zeroed out, time 77799.90 -Momenta zeroed out, time 77899.90 -Velocities reset to random values, time 77999.90 -Momenta zeroed out, time 77999.90 -Momenta zeroed out, time 78099.90 -Momenta zeroed out, time 78199.90 -Momenta zeroed out, time 78299.90 -Momenta zeroed out, time 78399.90 -Momenta zeroed out, time 78499.90 -Momenta zeroed out, time 78599.90 -Momenta zeroed out, time 78699.90 -Momenta zeroed out, time 78799.90 -Momenta zeroed out, time 78899.90 -Velocities reset to random values, time 78999.90 -Momenta zeroed out, time 78999.90 -Momenta zeroed out, time 79099.90 -Momenta zeroed out, time 79199.90 -Momenta zeroed out, time 79299.90 -Momenta zeroed out, time 79399.90 -Momenta zeroed out, time 79499.90 -Momenta zeroed out, time 79599.90 -Momenta zeroed out, time 79699.90 -Momenta zeroed out, time 79799.90 -Momenta zeroed out, time 79899.90 -Velocities reset to random values, time 79999.90 -Momenta zeroed out, time 79999.90 -Momenta zeroed out, time 80099.90 -Momenta zeroed out, time 80199.90 -Momenta zeroed out, time 80299.90 -Momenta zeroed out, time 80399.90 -Momenta zeroed out, time 80499.90 -Momenta zeroed out, time 80599.90 -Momenta zeroed out, time 80699.90 -Momenta zeroed out, time 80799.90 -Momenta zeroed out, time 80899.90 -Velocities reset to random values, time 80999.90 -Momenta zeroed out, time 80999.90 -Momenta zeroed out, time 81099.90 -Momenta zeroed out, time 81199.90 -Momenta zeroed out, time 81299.90 -Momenta zeroed out, time 81399.90 -Momenta zeroed out, time 81499.90 -Momenta zeroed out, time 81599.90 -Momenta zeroed out, time 81699.90 -Momenta zeroed out, time 81799.90 -Momenta zeroed out, time 81899.90 -Velocities reset to random values, time 81999.90 -Momenta zeroed out, time 81999.90 -Momenta zeroed out, time 82099.90 -Momenta zeroed out, time 82199.90 -Momenta zeroed out, time 82299.90 -Momenta zeroed out, time 82399.90 -Momenta zeroed out, time 82499.90 -Momenta zeroed out, time 82599.90 -Momenta zeroed out, time 82699.90 -Momenta zeroed out, time 82799.90 -Momenta zeroed out, time 82899.90 -Velocities reset to random values, time 82999.90 -Momenta zeroed out, time 82999.90 -Momenta zeroed out, time 83099.90 -Momenta zeroed out, time 83199.90 -Momenta zeroed out, time 83299.90 -Momenta zeroed out, time 83399.90 -Momenta zeroed out, time 83499.90 -Momenta zeroed out, time 83599.90 -Momenta zeroed out, time 83699.90 -Momenta zeroed out, time 83799.90 -Momenta zeroed out, time 83899.90 -Velocities reset to random values, time 83999.90 -Momenta zeroed out, time 83999.90 -Momenta zeroed out, time 84099.90 -Momenta zeroed out, time 84199.90 -Momenta zeroed out, time 84299.90 -Momenta zeroed out, time 84399.90 -Momenta zeroed out, time 84499.90 -Momenta zeroed out, time 84599.90 -Momenta zeroed out, time 84699.90 -Momenta zeroed out, time 84799.90 -Momenta zeroed out, time 84899.90 -Velocities reset to random values, time 84999.90 -Momenta zeroed out, time 84999.90 -Momenta zeroed out, time 85099.90 -Momenta zeroed out, time 85199.90 -Momenta zeroed out, time 85299.90 -Momenta zeroed out, time 85399.90 -Momenta zeroed out, time 85499.90 -Momenta zeroed out, time 85599.90 -Momenta zeroed out, time 85699.90 -Momenta zeroed out, time 85799.90 -Momenta zeroed out, time 85899.90 -Velocities reset to random values, time 85999.90 -Momenta zeroed out, time 85999.90 -Momenta zeroed out, time 86099.90 -Momenta zeroed out, time 86199.90 -Momenta zeroed out, time 86299.90 -Momenta zeroed out, time 86399.90 -Momenta zeroed out, time 86499.90 -Momenta zeroed out, time 86599.90 -Momenta zeroed out, time 86699.90 -Momenta zeroed out, time 86799.90 -Momenta zeroed out, time 86899.90 -Velocities reset to random values, time 86999.90 -Momenta zeroed out, time 86999.90 -Momenta zeroed out, time 87099.90 -Momenta zeroed out, time 87199.90 -Momenta zeroed out, time 87299.90 -Momenta zeroed out, time 87399.90 -Momenta zeroed out, time 87499.90 -Momenta zeroed out, time 87599.90 -Momenta zeroed out, time 87699.90 -Momenta zeroed out, time 87799.90 -Momenta zeroed out, time 87899.90 -Velocities reset to random values, time 87999.90 -Momenta zeroed out, time 87999.90 -Momenta zeroed out, time 88099.90 -Momenta zeroed out, time 88199.90 -Momenta zeroed out, time 88299.90 -Momenta zeroed out, time 88399.90 -Momenta zeroed out, time 88499.90 -Momenta zeroed out, time 88599.90 -Momenta zeroed out, time 88699.90 -Momenta zeroed out, time 88799.90 -Momenta zeroed out, time 88899.90 -Velocities reset to random values, time 88999.90 -Momenta zeroed out, time 88999.90 -Momenta zeroed out, time 89099.90 -Momenta zeroed out, time 89199.90 -Momenta zeroed out, time 89299.90 -Momenta zeroed out, time 89399.90 -Momenta zeroed out, time 89499.90 -Momenta zeroed out, time 89599.90 -Momenta zeroed out, time 89699.90 -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 -Momenta zeroed out, time 90099.90 -Momenta zeroed out, time 90199.90 -Momenta zeroed out, time 90299.90 -Momenta zeroed out, time 90399.90 -Momenta zeroed out, time 90499.90 -Momenta zeroed out, time 90599.90 -Momenta zeroed out, time 90699.90 -Momenta zeroed out, time 90799.90 -Momenta zeroed out, time 90899.90 -Velocities reset to random values, time 90999.90 -Momenta zeroed out, time 90999.90 -Momenta zeroed out, time 91099.90 -Momenta zeroed out, time 91199.90 -Momenta zeroed out, time 91299.90 -Momenta zeroed out, time 91399.90 -Momenta zeroed out, time 91499.90 -Momenta zeroed out, time 91599.90 -Momenta zeroed out, time 91699.90 -Momenta zeroed out, time 91799.90 -Momenta zeroed out, time 91899.90 -Velocities reset to random values, time 91999.90 -Momenta zeroed out, time 91999.90 -Momenta zeroed out, time 92099.90 -Momenta zeroed out, time 92199.90 -Momenta zeroed out, time 92299.90 -Momenta zeroed out, time 92399.90 -Momenta zeroed out, time 92499.90 -Momenta zeroed out, time 92599.90 -Momenta zeroed out, time 92699.90 -Momenta zeroed out, time 92799.90 -Momenta zeroed out, time 92899.90 -Velocities reset to random values, time 92999.90 -Momenta zeroed out, time 92999.90 -Momenta zeroed out, time 93099.90 -Momenta zeroed out, time 93199.90 -Momenta zeroed out, time 93299.90 -Momenta zeroed out, time 93399.90 -Momenta zeroed out, time 93499.90 -Momenta zeroed out, time 93599.90 -Momenta zeroed out, time 93699.90 -Momenta zeroed out, time 93799.90 -Momenta zeroed out, time 93899.90 -Velocities reset to random values, time 93999.90 -Momenta zeroed out, time 93999.90 -Momenta zeroed out, time 94099.90 -Momenta zeroed out, time 94199.90 -Momenta zeroed out, time 94299.90 -Momenta zeroed out, time 94399.90 -Momenta zeroed out, time 94499.90 -Momenta zeroed out, time 94599.90 -Momenta zeroed out, time 94699.90 -Momenta zeroed out, time 94799.90 -Momenta zeroed out, time 94899.90 -Velocities reset to random values, time 94999.90 -Momenta zeroed out, time 94999.90 -Momenta zeroed out, time 95099.90 -Momenta zeroed out, time 95199.90 -Momenta zeroed out, time 95299.90 -Momenta zeroed out, time 95399.90 -Momenta zeroed out, time 95499.90 -Momenta zeroed out, time 95599.90 -Momenta zeroed out, time 95699.90 -Momenta zeroed out, time 95799.90 -Momenta zeroed out, time 95899.90 -Velocities reset to random values, time 95999.90 -Momenta zeroed out, time 95999.90 -Momenta zeroed out, time 96099.90 -Momenta zeroed out, time 96199.90 -Momenta zeroed out, time 96299.90 -Momenta zeroed out, time 96399.90 -Momenta zeroed out, time 96499.90 -Momenta zeroed out, time 96599.90 -Momenta zeroed out, time 96699.90 -Momenta zeroed out, time 96799.90 -Momenta zeroed out, time 96899.90 -Velocities reset to random values, time 96999.90 -Momenta zeroed out, time 96999.90 -Momenta zeroed out, time 97099.90 -Momenta zeroed out, time 97199.90 -Momenta zeroed out, time 97299.90 -Momenta zeroed out, time 97399.90 -Momenta zeroed out, time 97499.90 -Momenta zeroed out, time 97599.90 -Momenta zeroed out, time 97699.90 -Momenta zeroed out, time 97799.90 -Momenta zeroed out, time 97899.90 -Velocities reset to random values, time 97999.90 -Momenta zeroed out, time 97999.90 -Momenta zeroed out, time 98099.90 -Momenta zeroed out, time 98199.90 -Momenta zeroed out, time 98299.90 -Momenta zeroed out, time 98399.90 -Momenta zeroed out, time 98499.90 -Momenta zeroed out, time 98599.90 -Momenta zeroed out, time 98699.90 -Momenta zeroed out, time 98799.90 -Momenta zeroed out, time 98899.90 -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 -Momenta zeroed out, time 99399.90 -Momenta zeroed out, time 99499.90 -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: 2.74480E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 2.61488E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.06910E+02 + MD steps: 2.89031E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 309.003906250000 sec + Total wall clock time 289.093750000000 sec