-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : ala10.inp Output file : ala10.out_GB Sidechain potential file : ../../PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k SCp potential file : ../../PARAM/scp.parm Electrostatic potential file : ../../PARAM/electr_631Gdp.parm Cumulant coefficient file : ../../PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : ../../PARAM/torsion_631Gdp.parm Double torsional parameter file : ../../PARAM/torsion_double_631Gdp.parm Bond & inertia constant file : Bending parameter file : ../../PARAM/thetaml.5parm Rotamer parameter file : ../../PARAM/scgauss.parm Threading database : ../../PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - serial job. ******************************************************************************** -------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : ala10.inp Output file : ala10.out_GB Sidechain potential file : ../../PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k SCp potential file : ../../PARAM/scp.parm Electrostatic potential file : ../../PARAM/electr_631Gdp.parm Cumulant coefficient file : ../../PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : ../../PARAM/torsion_631Gdp.parm Double torsional parameter file : ../../PARAM/torsion_double_631Gdp.parm Bond & inertia constant file : ../../PARAM/bond.parm Bending parameter file : ../../PARAM/thetaml.5parm Rotamer parameter file : ../../PARAM/scgauss.parm Threading database : ../../PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - serial job. ******************************************************************************** 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 Random seed: -1111333. -1111333 ran_num 0.383569105 RMSDBC = 3.0 RMSDBC1 = 0.5 RMSDBC1MAX = 1.5 DRMS = 0.1 RMSDBCM = 3.0 Time limit (min): 60.0 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: 500000 Initial time step of numerical integration: 0.10000 natural units 4.89000 fs Maximum acceleration threshold to scale down the time step: 1.00000 Maximum predicted energy drift to reduce the timestep: 10.00000 Maximum velocity threshold to reduce velocities: 20.00000 Frequency of property output: 100 Frequency of coordinate output: 1000 Berendsen bath calculation Temperature: 300.00000 Coupling constant (tau): 0.10000 Momenta will be reset at zero every 1000 steps Velocities will be reset at random every 1000 steps ============================== End of MD run setup ============================= Energy-term weights (unscaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (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= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Reference temperature for weights calculation: 300. Parameters of the SS-bond potential: D0CM 3.78 AKCM 15.1 AKTH 11. AKCT 12. V1SS -1.08 V2SS 7.61 V3SS 13.7 EBR -5.5 ITEL 1 21 0 2 9 1 3 9 1 4 9 1 5 9 1 6 9 1 7 9 1 8 9 1 9 9 1 10 9 1 11 9 0 ns= 0 iss: Boundaries in phi angle sampling: D 1 -180.0 180.0 ALA 2 -180.0 180.0 ALA 3 -180.0 180.0 ALA 4 -180.0 180.0 ALA 5 -180.0 180.0 ALA 6 -180.0 180.0 ALA 7 -180.0 180.0 ALA 8 -180.0 180.0 ALA 9 -180.0 180.0 ALA 10 -180.0 180.0 ALA 11 -180.0 180.0 D 12 -180.0 180.0 NZ_START= 2 NZ_END= 11 IZ_SC= 0 Initial geometry will be read in. Geometry of the virtual chain. Res d Theta Phi Dsc Alpha Omega D 1 0.000 0.000 0.000 0.000 0.000 0.000 ALA 2 3.800 0.000 0.000 0.743 110.000 -120.000 ALA 3 3.800 90.000 0.000 0.743 110.000 -120.000 ALA 4 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 5 3.800 90.000 180.000 0.743 100.000 -120.000 ALA 6 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 7 3.800 90.000 180.000 0.743 100.000 -120.000 ALA 8 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 9 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 10 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 11 3.800 90.000 180.000 0.743 110.000 -120.000 D 12 3.800 90.000 180.000 0.000 0.000 0.000 MD calculation. ******************************************************************************** MODECALC 12 Calling hpb_partition Calling chainbuild Calling MD ====================MD calculation start==================== Initial velocities randomly generated Initial backbone velocities 0.0985613045 0.182541246 -0.175012272 0.0102624552 -0.00832639177 -0.0338376351 -0.056966253 0.0105924889 0.0892183362 0.198814605 -0.206530296 -0.129893846 -0.211791315 0.00481756089 -0.0561117396 0.320740287 0.0271571246 -0.0168567367 -0.258631653 0.0452753705 0.0203327665 -0.104588634 0.0890304814 0.21719133 0.12571601 0.0388163758 -0.0858192955 Initial side-chain velocities 0.129045332 0.102991309 0.0692178513 0.206720741 -0.110641343 -0.257731189 -0.160163999 -0.173543508 0.0225891613 0.165090118 -0.215707777 0.214578372 -0.129264261 0.0218807005 0.0271886133 -0.0187644697 0.197948263 0.0893595715 -0.404397288 0.0318758556 0.316640216 0.0467818054 -0.256257134 0.242201964 0.120855148 -0.170471387 -0.0974419001 0.0520794364 -0.204123131 -0.0290270921 Calling the zero-angular momentum subroutine vcm right after adjustment: 1.32744057E-17 1.49805206E-17 2.001564E-17 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 ALA( 2) 3.80000 0.00000 0.00000 3.73284 0.42654 0.60465 ALA( 3) 3.80000 -3.80000 0.00000 3.37346 -3.73284 -0.60465 ALA( 4) 7.60000 -3.80000 0.00000 7.53284 -3.37346 0.60465 ALA( 5) 7.60000 -7.60000 0.00000 7.25007 -7.43253 -0.63368 ALA( 6) 11.40000 -7.60000 0.00000 11.33284 -7.17346 0.60465 ALA( 7) 11.40000 -11.40000 0.00000 11.05007 -11.23253 -0.63368 ALA( 8) 15.20000 -11.40000 0.00000 15.13284 -10.97346 0.60465 ALA( 9) 15.20000 -15.20000 0.00000 14.77346 -15.13284 -0.60465 ALA( 10) 19.00000 -15.20000 0.00000 18.93284 -14.77346 0.60465 ALA( 11) 19.00000 -19.00000 0.00000 18.57346 -18.93284 -0.60465 D ( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000 Geometry of the virtual chain. Res d Theta Phi Dsc Alpha Omega D 1 0.000 0.000 0.000 0.000 0.000 0.000 ALA 2 3.800 0.000 0.000 0.743 110.000 -120.000 ALA 3 3.800 90.000 0.000 0.743 110.000 -120.000 ALA 4 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 5 3.800 90.000 180.000 0.743 100.000 -120.000 ALA 6 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 7 3.800 90.000 180.000 0.743 100.000 -120.000 ALA 8 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 9 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 10 3.800 90.000 180.000 0.743 110.000 -120.000 ALA 11 3.800 90.000 180.000 0.743 110.000 -120.000 D 12 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components 7.47559461 -14.6654656 10.4550224 -3.73102752 -2.22563065 0. 0. 16.4479298 -1.4902445 6.10625584 0. -2.10603756 94.2477472 0. -0.9403905 0. -11.7126126 1.51917354E-27 0. 0. 0. 0. Initial: Kinetic energy 14.4315028 potential energy 7.47559461 total energy 21.9070974 maximum acceleration 0.12481625 Velocities reset to random values, time 91.01 Momenta zeroed out, time 91.01 Velocities reset to random values, time 172.07 Momenta zeroed out, time 172.07 Velocities reset to random values, time 268.81 Momenta zeroed out, time 268.81 Velocities reset to random values, time 356.32 Momenta zeroed out, time 356.32 Velocities reset to random values, time 436.97 Momenta zeroed out, time 436.97 Velocities reset to random values, time 527.77 Momenta zeroed out, time 527.77 Velocities reset to random values, time 621.44 Momenta zeroed out, time 621.44 Velocities reset to random values, time 719.74 Momenta zeroed out, time 719.74 Velocities reset to random values, time 818.16 Momenta zeroed out, time 818.16 Velocities reset to random values, time 906.41 Momenta zeroed out, time 906.41 Velocities reset to random values, time 1006.41 Momenta zeroed out, time 1006.41 Velocities reset to random values, time 1099.10 Momenta zeroed out, time 1099.10 Velocities reset to random values, time 1195.94 Momenta zeroed out, time 1195.94 Velocities reset to random values, time 1282.94 Momenta zeroed out, time 1282.94 Velocities reset to random values, time 1378.01 Momenta zeroed out, time 1378.01 Velocities reset to random values, time 1475.56 Momenta zeroed out, time 1475.56 Velocities reset to random values, time 1574.48 Momenta zeroed out, time 1574.48 Velocities reset to random values, time 1666.29 Momenta zeroed out, time 1666.29 Velocities reset to random values, time 1758.94 Momenta zeroed out, time 1758.94 Velocities reset to random values, time 1854.75 Momenta zeroed out, time 1854.75 Velocities reset to random values, time 1946.68 Momenta zeroed out, time 1946.68 Velocities reset to random values, time 2032.61 Momenta zeroed out, time 2032.61 Velocities reset to random values, time 2126.65 Momenta zeroed out, time 2126.65 Velocities reset to random values, time 2226.56 Momenta zeroed out, time 2226.56 Velocities reset to random values, time 2321.20 Momenta zeroed out, time 2321.20 Velocities reset to random values, time 2401.81 Momenta zeroed out, time 2401.81 Velocities reset to random values, time 2486.01 Momenta zeroed out, time 2486.01 Velocities reset to random values, time 2579.70 Momenta zeroed out, time 2579.70 Velocities reset to random values, time 2673.55 Momenta zeroed out, time 2673.55 Velocities reset to random values, time 2770.00 Momenta zeroed out, time 2770.00 Velocities reset to random values, time 2867.89 Momenta zeroed out, time 2867.89 Velocities reset to random values, time 2954.37 Momenta zeroed out, time 2954.37 Velocities reset to random values, time 3045.76 Momenta zeroed out, time 3045.76 Velocities reset to random values, time 3131.09 Momenta zeroed out, time 3131.09 Velocities reset to random values, time 3223.84 Momenta zeroed out, time 3223.84 Velocities reset to random values, time 3316.70 Momenta zeroed out, time 3316.70 Velocities reset to random values, time 3403.00 Momenta zeroed out, time 3403.00 Velocities reset to random values, time 3490.24 Momenta zeroed out, time 3490.24 Velocities reset to random values, time 3587.80 Momenta zeroed out, time 3587.80 Velocities reset to random values, time 3679.73 Momenta zeroed out, time 3679.73 Velocities reset to random values, time 3779.50 Momenta zeroed out, time 3779.50 Velocities reset to random values, time 3876.53 Momenta zeroed out, time 3876.53 Velocities reset to random values, time 3969.94 Momenta zeroed out, time 3969.94 Velocities reset to random values, time 4064.27 Momenta zeroed out, time 4064.27 Velocities reset to random values, time 4160.16 Momenta zeroed out, time 4160.16 Velocities reset to random values, time 4245.89 Momenta zeroed out, time 4245.89 Velocities reset to random values, time 4338.01 Momenta zeroed out, time 4338.01 Velocities reset to random values, time 4435.87 Momenta zeroed out, time 4435.87 Velocities reset to random values, time 4523.40 Momenta zeroed out, time 4523.40 Velocities reset to random values, time 4617.56 Momenta zeroed out, time 4617.56 Velocities reset to random values, time 4705.97 Momenta zeroed out, time 4705.97 Velocities reset to random values, time 4799.78 Momenta zeroed out, time 4799.78 Velocities reset to random values, time 4894.11 Momenta zeroed out, time 4894.11 Velocities reset to random values, time 4991.46 Momenta zeroed out, time 4991.46 Velocities reset to random values, time 5083.44 Momenta zeroed out, time 5083.44 Velocities reset to random values, time 5183.30 Momenta zeroed out, time 5183.30 Velocities reset to random values, time 5274.53 Momenta zeroed out, time 5274.53 Velocities reset to random values, time 5371.48 Momenta zeroed out, time 5371.48 Velocities reset to random values, time 5460.94 Momenta zeroed out, time 5460.94 Velocities reset to random values, time 5557.76 Momenta zeroed out, time 5557.76 Velocities reset to random values, time 5652.43 Momenta zeroed out, time 5652.43 Velocities reset to random values, time 5743.23 Momenta zeroed out, time 5743.23 Velocities reset to random values, time 5827.26 Momenta zeroed out, time 5827.26 Velocities reset to random values, time 5919.08 Momenta zeroed out, time 5919.08 Velocities reset to random values, time 6011.08 Momenta zeroed out, time 6011.08 Velocities reset to random values, time 6105.96 Momenta zeroed out, time 6105.96 Velocities reset to random values, time 6194.97 Momenta zeroed out, time 6194.97 Velocities reset to random values, time 6292.31 Momenta zeroed out, time 6292.31 Velocities reset to random values, time 6380.50 Momenta zeroed out, time 6380.50 Velocities reset to random values, time 6475.69 Momenta zeroed out, time 6475.69 Velocities reset to random values, time 6564.86 Momenta zeroed out, time 6564.86 Velocities reset to random values, time 6661.63 Momenta zeroed out, time 6661.63 Velocities reset to random values, time 6756.85 Momenta zeroed out, time 6756.85 Velocities reset to random values, time 6854.38 Momenta zeroed out, time 6854.38 Velocities reset to random values, time 6938.96 Momenta zeroed out, time 6938.96 Velocities reset to random values, time 7029.06 Momenta zeroed out, time 7029.06 Velocities reset to random values, time 7121.81 Momenta zeroed out, time 7121.81 Velocities reset to random values, time 7215.82 Momenta zeroed out, time 7215.82 Velocities reset to random values, time 7313.34 Momenta zeroed out, time 7313.34 Velocities reset to random values, time 7404.38 Momenta zeroed out, time 7404.38 Velocities reset to random values, time 7501.23 Momenta zeroed out, time 7501.23 Velocities reset to random values, time 7595.33 Momenta zeroed out, time 7595.33 Velocities reset to random values, time 7687.73 Momenta zeroed out, time 7687.73 Velocities reset to random values, time 7783.29 Momenta zeroed out, time 7783.29 Velocities reset to random values, time 7879.22 Momenta zeroed out, time 7879.22 Velocities reset to random values, time 7971.22 Momenta zeroed out, time 7971.22 Velocities reset to random values, time 8066.52 Momenta zeroed out, time 8066.52 Velocities reset to random values, time 8161.77 Momenta zeroed out, time 8161.77 Velocities reset to random values, time 8260.41 Momenta zeroed out, time 8260.41 Velocities reset to random values, time 8356.99 Momenta zeroed out, time 8356.99 Velocities reset to random values, time 8441.49 Momenta zeroed out, time 8441.49 Velocities reset to random values, time 8530.98 Momenta zeroed out, time 8530.98 Velocities reset to random values, time 8630.93 Momenta zeroed out, time 8630.93 Velocities reset to random values, time 8725.64 Momenta zeroed out, time 8725.64 Velocities reset to random values, time 8823.89 Momenta zeroed out, time 8823.89 Velocities reset to random values, time 8914.48 Momenta zeroed out, time 8914.48 Velocities reset to random values, time 9004.57 Momenta zeroed out, time 9004.57 Velocities reset to random values, time 9098.17 Momenta zeroed out, time 9098.17 Velocities reset to random values, time 9195.92 Momenta zeroed out, time 9195.92 Velocities reset to random values, time 9294.17 Momenta zeroed out, time 9294.17 Velocities reset to random values, time 9379.10 Momenta zeroed out, time 9379.10 Velocities reset to random values, time 9476.00 Momenta zeroed out, time 9476.00 Velocities reset to random values, time 9569.80 Momenta zeroed out, time 9569.80 Velocities reset to random values, time 9652.62 Momenta zeroed out, time 9652.62 Velocities reset to random values, time 9743.89 Momenta zeroed out, time 9743.89 Velocities reset to random values, time 9840.99 Momenta zeroed out, time 9840.99 Velocities reset to random values, time 9931.33 Momenta zeroed out, time 9931.33 Velocities reset to random values, time 10021.79 Momenta zeroed out, time 10021.79 Velocities reset to random values, time 10116.54 Momenta zeroed out, time 10116.54 Velocities reset to random values, time 10212.01 Momenta zeroed out, time 10212.01 Velocities reset to random values, time 10312.01 Momenta zeroed out, time 10312.01 Velocities reset to random values, time 10406.14 Momenta zeroed out, time 10406.14 Velocities reset to random values, time 10497.50 Momenta zeroed out, time 10497.50 Velocities reset to random values, time 10579.61 Momenta zeroed out, time 10579.61 Velocities reset to random values, time 10665.55 Momenta zeroed out, time 10665.55 Velocities reset to random values, time 10762.14 Momenta zeroed out, time 10762.14 Velocities reset to random values, time 10855.14 Momenta zeroed out, time 10855.14 Velocities reset to random values, time 10946.20 Momenta zeroed out, time 10946.20 Velocities reset to random values, time 11034.07 Momenta zeroed out, time 11034.07 Velocities reset to random values, time 11125.34 Momenta zeroed out, time 11125.34 Velocities reset to random values, time 11211.41 Momenta zeroed out, time 11211.41 Velocities reset to random values, time 11306.94 Momenta zeroed out, time 11306.94 Velocities reset to random values, time 11406.00 Momenta zeroed out, time 11406.00 Velocities reset to random values, time 11503.10 Momenta zeroed out, time 11503.10 Velocities reset to random values, time 11582.70 Momenta zeroed out, time 11582.70 Velocities reset to random values, time 11676.77 Momenta zeroed out, time 11676.77 Velocities reset to random values, time 11768.81 Momenta zeroed out, time 11768.81 Velocities reset to random values, time 11858.95 Momenta zeroed out, time 11858.95 Velocities reset to random values, time 11949.22 Momenta zeroed out, time 11949.22 Velocities reset to random values, time 12045.40 Momenta zeroed out, time 12045.40 Velocities reset to random values, time 12139.42 Momenta zeroed out, time 12139.42 Velocities reset to random values, time 12233.91 Momenta zeroed out, time 12233.91 Velocities reset to random values, time 12324.02 Momenta zeroed out, time 12324.02 Velocities reset to random values, time 12413.54 Momenta zeroed out, time 12413.54 Velocities reset to random values, time 12506.35 Momenta zeroed out, time 12506.35 Velocities reset to random values, time 12597.83 Momenta zeroed out, time 12597.83 Velocities reset to random values, time 12684.69 Momenta zeroed out, time 12684.69 Velocities reset to random values, time 12774.06 Momenta zeroed out, time 12774.06 Velocities reset to random values, time 12869.41 Momenta zeroed out, time 12869.41 Velocities reset to random values, time 12956.72 Momenta zeroed out, time 12956.72 Velocities reset to random values, time 13048.83 Momenta zeroed out, time 13048.83 Velocities reset to random values, time 13143.52 Momenta zeroed out, time 13143.52 Velocities reset to random values, time 13238.00 Momenta zeroed out, time 13238.00 Velocities reset to random values, time 13330.75 Momenta zeroed out, time 13330.75 Velocities reset to random values, time 13423.67 Momenta zeroed out, time 13423.67 Velocities reset to random values, time 13509.21 Momenta zeroed out, time 13509.21 Velocities reset to random values, time 13598.90 Momenta zeroed out, time 13598.90 Velocities reset to random values, time 13682.21 Momenta zeroed out, time 13682.21 Velocities reset to random values, time 13776.92 Momenta zeroed out, time 13776.92 Velocities reset to random values, time 13871.61 Momenta zeroed out, time 13871.61 Velocities reset to random values, time 13967.09 Momenta zeroed out, time 13967.09 Velocities reset to random values, time 14060.64 Momenta zeroed out, time 14060.64 Velocities reset to random values, time 14155.76 Momenta zeroed out, time 14155.76 Velocities reset to random values, time 14247.49 Momenta zeroed out, time 14247.49 Velocities reset to random values, time 14330.92 Momenta zeroed out, time 14330.92 Velocities reset to random values, time 14425.32 Momenta zeroed out, time 14425.32 Velocities reset to random values, time 14516.90 Momenta zeroed out, time 14516.90 Velocities reset to random values, time 14605.65 Momenta zeroed out, time 14605.65 Velocities reset to random values, time 14700.24 Momenta zeroed out, time 14700.24 Velocities reset to random values, time 14783.16 Momenta zeroed out, time 14783.16 Velocities reset to random values, time 14881.87 Momenta zeroed out, time 14881.87 Velocities reset to random values, time 14973.82 Momenta zeroed out, time 14973.82 Velocities reset to random values, time 15063.44 Momenta zeroed out, time 15063.44 Velocities reset to random values, time 15152.53 Momenta zeroed out, time 15152.53 Velocities reset to random values, time 15237.68 Momenta zeroed out, time 15237.68 Velocities reset to random values, time 15329.22 Momenta zeroed out, time 15329.22 Velocities reset to random values, time 15416.70 Momenta zeroed out, time 15416.70 Velocities reset to random values, time 15506.72 Momenta zeroed out, time 15506.72 Velocities reset to random values, time 15588.73 Momenta zeroed out, time 15588.73 Velocities reset to random values, time 15673.40 Momenta zeroed out, time 15673.40 Velocities reset to random values, time 15769.43 Momenta zeroed out, time 15769.43 Velocities reset to random values, time 15867.59 Momenta zeroed out, time 15867.59 Velocities reset to random values, time 15956.80 Momenta zeroed out, time 15956.80 Velocities reset to random values, time 16048.96 Momenta zeroed out, time 16048.96 Velocities reset to random values, time 16143.04 Momenta zeroed out, time 16143.04 Velocities reset to random values, time 16232.29 Momenta zeroed out, time 16232.29 Velocities reset to random values, time 16320.51 Momenta zeroed out, time 16320.51 Velocities reset to random values, time 16419.36 Momenta zeroed out, time 16419.36 Velocities reset to random values, time 16508.73 Momenta zeroed out, time 16508.73 Velocities reset to random values, time 16607.69 Momenta zeroed out, time 16607.69 Velocities reset to random values, time 16700.37 Momenta zeroed out, time 16700.37 Velocities reset to random values, time 16792.38 Momenta zeroed out, time 16792.38 Velocities reset to random values, time 16880.18 Momenta zeroed out, time 16880.18 Velocities reset to random values, time 16969.46 Momenta zeroed out, time 16969.46 Velocities reset to random values, time 17061.43 Momenta zeroed out, time 17061.43 Velocities reset to random values, time 17148.22 Momenta zeroed out, time 17148.22 Velocities reset to random values, time 17245.56 Momenta zeroed out, time 17245.56 Velocities reset to random values, time 17344.41 Momenta zeroed out, time 17344.41 Velocities reset to random values, time 17438.10 Momenta zeroed out, time 17438.10 Velocities reset to random values, time 17533.10 Momenta zeroed out, time 17533.10 Velocities reset to random values, time 17618.81 Momenta zeroed out, time 17618.81 Velocities reset to random values, time 17707.02 Momenta zeroed out, time 17707.02 Velocities reset to random values, time 17795.43 Momenta zeroed out, time 17795.43 Velocities reset to random values, time 17884.79 Momenta zeroed out, time 17884.79 Velocities reset to random values, time 17966.92 Momenta zeroed out, time 17966.92 Velocities reset to random values, time 18050.23 Momenta zeroed out, time 18050.23 Velocities reset to random values, time 18145.59 Momenta zeroed out, time 18145.59 Velocities reset to random values, time 18228.56 Momenta zeroed out, time 18228.56 Velocities reset to random values, time 18318.94 Momenta zeroed out, time 18318.94 Velocities reset to random values, time 18405.21 Momenta zeroed out, time 18405.21 Velocities reset to random values, time 18498.46 Momenta zeroed out, time 18498.46 Velocities reset to random values, time 18589.24 Momenta zeroed out, time 18589.24 Velocities reset to random values, time 18676.04 Momenta zeroed out, time 18676.04 Velocities reset to random values, time 18770.45 Momenta zeroed out, time 18770.45 Velocities reset to random values, time 18860.44 Momenta zeroed out, time 18860.44 Velocities reset to random values, time 18951.64 Momenta zeroed out, time 18951.64 Velocities reset to random values, time 19044.76 Momenta zeroed out, time 19044.76 Velocities reset to random values, time 19132.50 Momenta zeroed out, time 19132.50 Velocities reset to random values, time 19229.83 Momenta zeroed out, time 19229.83 Velocities reset to random values, time 19316.52 Momenta zeroed out, time 19316.52 Velocities reset to random values, time 19406.92 Momenta zeroed out, time 19406.92 Velocities reset to random values, time 19502.47 Momenta zeroed out, time 19502.47 Velocities reset to random values, time 19597.68 Momenta zeroed out, time 19597.68 Velocities reset to random values, time 19676.51 Momenta zeroed out, time 19676.51 Velocities reset to random values, time 19764.38 Momenta zeroed out, time 19764.38 Velocities reset to random values, time 19847.01 Momenta zeroed out, time 19847.01 Velocities reset to random values, time 19946.04 Momenta zeroed out, time 19946.04 Velocities reset to random values, time 20033.98 Momenta zeroed out, time 20033.98 Velocities reset to random values, time 20121.04 Momenta zeroed out, time 20121.04 Velocities reset to random values, time 20218.74 Momenta zeroed out, time 20218.74 Velocities reset to random values, time 20305.43 Momenta zeroed out, time 20305.43 Velocities reset to random values, time 20404.52 Momenta zeroed out, time 20404.52 Velocities reset to random values, time 20495.34 Momenta zeroed out, time 20495.34 Velocities reset to random values, time 20591.80 Momenta zeroed out, time 20591.80 Velocities reset to random values, time 20688.92 Momenta zeroed out, time 20688.92 Velocities reset to random values, time 20782.35 Momenta zeroed out, time 20782.35 Velocities reset to random values, time 20879.40 Momenta zeroed out, time 20879.40 Velocities reset to random values, time 20978.19 Momenta zeroed out, time 20978.19 Velocities reset to random values, time 21052.95 Momenta zeroed out, time 21052.95 Velocities reset to random values, time 21149.57 Momenta zeroed out, time 21149.57 Velocities reset to random values, time 21233.82 Momenta zeroed out, time 21233.82 Velocities reset to random values, time 21318.68 Momenta zeroed out, time 21318.68 Velocities reset to random values, time 21391.34 Momenta zeroed out, time 21391.34 Velocities reset to random values, time 21486.77 Momenta zeroed out, time 21486.77 Velocities reset to random values, time 21565.47 Momenta zeroed out, time 21565.47 Velocities reset to random values, time 21647.90 Momenta zeroed out, time 21647.90 Velocities reset to random values, time 21744.24 Momenta zeroed out, time 21744.24 Velocities reset to random values, time 21839.19 Momenta zeroed out, time 21839.19 Velocities reset to random values, time 21930.09 Momenta zeroed out, time 21930.09 Velocities reset to random values, time 22020.23 Momenta zeroed out, time 22020.23 Velocities reset to random values, time 22111.49 Momenta zeroed out, time 22111.49 Velocities reset to random values, time 22205.59 Momenta zeroed out, time 22205.59 Velocities reset to random values, time 22295.59 Momenta zeroed out, time 22295.59 Velocities reset to random values, time 22391.96 Momenta zeroed out, time 22391.96 Velocities reset to random values, time 22477.02 Momenta zeroed out, time 22477.02 Velocities reset to random values, time 22559.05 Momenta zeroed out, time 22559.05 Velocities reset to random values, time 22648.80 Momenta zeroed out, time 22648.80 Velocities reset to random values, time 22730.62 Momenta zeroed out, time 22730.62 Velocities reset to random values, time 22825.61 Momenta zeroed out, time 22825.61 Velocities reset to random values, time 22923.30 Momenta zeroed out, time 22923.30 Velocities reset to random values, time 23007.81 Momenta zeroed out, time 23007.81 Velocities reset to random values, time 23087.92 Momenta zeroed out, time 23087.92 Velocities reset to random values, time 23176.77 Momenta zeroed out, time 23176.77 Velocities reset to random values, time 23263.23 Momenta zeroed out, time 23263.23 Velocities reset to random values, time 23341.96 Momenta zeroed out, time 23341.96 Velocities reset to random values, time 23437.44 Momenta zeroed out, time 23437.44 Velocities reset to random values, time 23523.10 Momenta zeroed out, time 23523.10 Velocities reset to random values, time 23603.44 Momenta zeroed out, time 23603.44 Velocities reset to random values, time 23697.28 Momenta zeroed out, time 23697.28 Velocities reset to random values, time 23786.50 Momenta zeroed out, time 23786.50 Velocities reset to random values, time 23886.50 Momenta zeroed out, time 23886.50 Velocities reset to random values, time 23978.00 Momenta zeroed out, time 23978.00 Velocities reset to random values, time 24072.56 Momenta zeroed out, time 24072.56 Velocities reset to random values, time 24166.78 Momenta zeroed out, time 24166.78 Velocities reset to random values, time 24259.22 Momenta zeroed out, time 24259.22 Velocities reset to random values, time 24355.00 Momenta zeroed out, time 24355.00 Velocities reset to random values, time 24452.20 Momenta zeroed out, time 24452.20 Velocities reset to random values, time 24544.73 Momenta zeroed out, time 24544.73 Velocities reset to random values, time 24633.15 Momenta zeroed out, time 24633.15 Velocities reset to random values, time 24713.13 Momenta zeroed out, time 24713.13 Velocities reset to random values, time 24809.48 Momenta zeroed out, time 24809.48 Velocities reset to random values, time 24906.18 Momenta zeroed out, time 24906.18 Velocities reset to random values, time 24993.59 Momenta zeroed out, time 24993.59 Velocities reset to random values, time 25084.49 Momenta zeroed out, time 25084.49 Velocities reset to random values, time 25178.38 Momenta zeroed out, time 25178.38 Velocities reset to random values, time 25266.67 Momenta zeroed out, time 25266.67 Velocities reset to random values, time 25350.70 Momenta zeroed out, time 25350.70 Velocities reset to random values, time 25434.92 Momenta zeroed out, time 25434.92 Velocities reset to random values, time 25517.70 Momenta zeroed out, time 25517.70 Velocities reset to random values, time 25604.15 Momenta zeroed out, time 25604.15 Velocities reset to random values, time 25696.57 Momenta zeroed out, time 25696.57 Velocities reset to random values, time 25789.67 Momenta zeroed out, time 25789.67 Velocities reset to random values, time 25880.93 Momenta zeroed out, time 25880.93 Velocities reset to random values, time 25973.23 Momenta zeroed out, time 25973.23 Velocities reset to random values, time 26067.55 Momenta zeroed out, time 26067.55 Velocities reset to random values, time 26158.61 Momenta zeroed out, time 26158.61 Velocities reset to random values, time 26252.36 Momenta zeroed out, time 26252.36 Velocities reset to random values, time 26349.71 Momenta zeroed out, time 26349.71 Velocities reset to random values, time 26444.42 Momenta zeroed out, time 26444.42 Velocities reset to random values, time 26541.83 Momenta zeroed out, time 26541.83 Velocities reset to random values, time 26624.95 Momenta zeroed out, time 26624.95 Velocities reset to random values, time 26716.47 Momenta zeroed out, time 26716.47 Velocities reset to random values, time 26801.52 Momenta zeroed out, time 26801.52 Velocities reset to random values, time 26901.52 Momenta zeroed out, time 26901.52 Velocities reset to random values, time 26988.18 Momenta zeroed out, time 26988.18 Velocities reset to random values, time 27080.18 Momenta zeroed out, time 27080.18 Velocities reset to random values, time 27163.87 Momenta zeroed out, time 27163.87 Velocities reset to random values, time 27258.56 Momenta zeroed out, time 27258.56 Velocities reset to random values, time 27353.43 Momenta zeroed out, time 27353.43 Velocities reset to random values, time 27441.63 Momenta zeroed out, time 27441.63 Velocities reset to random values, time 27534.68 Momenta zeroed out, time 27534.68 Velocities reset to random values, time 27619.54 Momenta zeroed out, time 27619.54 Velocities reset to random values, time 27706.03 Momenta zeroed out, time 27706.03 Velocities reset to random values, time 27804.62 Momenta zeroed out, time 27804.62 Velocities reset to random values, time 27900.51 Momenta zeroed out, time 27900.51 Velocities reset to random values, time 28000.04 Momenta zeroed out, time 28000.04 Velocities reset to random values, time 28096.22 Momenta zeroed out, time 28096.22 Velocities reset to random values, time 28182.44 Momenta zeroed out, time 28182.44 Velocities reset to random values, time 28266.88 Momenta zeroed out, time 28266.88 Velocities reset to random values, time 28359.49 Momenta zeroed out, time 28359.49 Velocities reset to random values, time 28458.65 Momenta zeroed out, time 28458.65 Velocities reset to random values, time 28555.11 Momenta zeroed out, time 28555.11 Velocities reset to random values, time 28649.71 Momenta zeroed out, time 28649.71 Velocities reset to random values, time 28744.63 Momenta zeroed out, time 28744.63 Velocities reset to random values, time 28840.32 Momenta zeroed out, time 28840.32 Velocities reset to random values, time 28931.42 Momenta zeroed out, time 28931.42 Velocities reset to random values, time 29021.95 Momenta zeroed out, time 29021.95 Velocities reset to random values, time 29115.10 Momenta zeroed out, time 29115.10 Velocities reset to random values, time 29206.65 Momenta zeroed out, time 29206.65 Velocities reset to random values, time 29304.22 Momenta zeroed out, time 29304.22 Velocities reset to random values, time 29388.00 Momenta zeroed out, time 29388.00 Velocities reset to random values, time 29481.65 Momenta zeroed out, time 29481.65 Velocities reset to random values, time 29581.65 Momenta zeroed out, time 29581.65 Velocities reset to random values, time 29669.14 Momenta zeroed out, time 29669.14 Velocities reset to random values, time 29761.47 Momenta zeroed out, time 29761.47 Velocities reset to random values, time 29851.68 Momenta zeroed out, time 29851.68 Velocities reset to random values, time 29943.33 Momenta zeroed out, time 29943.33 Velocities reset to random values, time 30026.94 Momenta zeroed out, time 30026.94 Velocities reset to random values, time 30115.56 Momenta zeroed out, time 30115.56 Velocities reset to random values, time 30208.68 Momenta zeroed out, time 30208.68 Velocities reset to random values, time 30303.45 Momenta zeroed out, time 30303.45 Velocities reset to random values, time 30398.04 Momenta zeroed out, time 30398.04 Velocities reset to random values, time 30483.86 Momenta zeroed out, time 30483.86 Velocities reset to random values, time 30579.63 Momenta zeroed out, time 30579.63 Velocities reset to random values, time 30669.22 Momenta zeroed out, time 30669.22 Velocities reset to random values, time 30762.85 Momenta zeroed out, time 30762.85 Velocities reset to random values, time 30851.17 Momenta zeroed out, time 30851.17 Velocities reset to random values, time 30940.59 Momenta zeroed out, time 30940.59 Velocities reset to random values, time 31029.70 Momenta zeroed out, time 31029.70 Velocities reset to random values, time 31116.78 Momenta zeroed out, time 31116.78 Velocities reset to random values, time 31193.45 Momenta zeroed out, time 31193.45 Velocities reset to random values, time 31283.45 Momenta zeroed out, time 31283.45 Velocities reset to random values, time 31361.84 Momenta zeroed out, time 31361.84 Velocities reset to random values, time 31459.23 Momenta zeroed out, time 31459.23 Velocities reset to random values, time 31548.33 Momenta zeroed out, time 31548.33 Velocities reset to random values, time 31636.46 Momenta zeroed out, time 31636.46 Velocities reset to random values, time 31729.13 Momenta zeroed out, time 31729.13 Velocities reset to random values, time 31816.28 Momenta zeroed out, time 31816.28 Velocities reset to random values, time 31899.38 Momenta zeroed out, time 31899.38 Velocities reset to random values, time 31996.06 Momenta zeroed out, time 31996.06 Velocities reset to random values, time 32095.99 Momenta zeroed out, time 32095.99 Velocities reset to random values, time 32182.73 Momenta zeroed out, time 32182.73 Velocities reset to random values, time 32275.32 Momenta zeroed out, time 32275.32 Velocities reset to random values, time 32368.53 Momenta zeroed out, time 32368.53 Velocities reset to random values, time 32462.11 Momenta zeroed out, time 32462.11 Velocities reset to random values, time 32554.33 Momenta zeroed out, time 32554.33 Velocities reset to random values, time 32645.53 Momenta zeroed out, time 32645.53 Velocities reset to random values, time 32739.04 Momenta zeroed out, time 32739.04 Velocities reset to random values, time 32833.41 Momenta zeroed out, time 32833.41 Velocities reset to random values, time 32929.76 Momenta zeroed out, time 32929.76 Velocities reset to random values, time 33024.86 Momenta zeroed out, time 33024.86 Velocities reset to random values, time 33118.08 Momenta zeroed out, time 33118.08 Velocities reset to random values, time 33218.08 Momenta zeroed out, time 33218.08 Velocities reset to random values, time 33303.71 Momenta zeroed out, time 33303.71 Velocities reset to random values, time 33394.45 Momenta zeroed out, time 33394.45 Velocities reset to random values, time 33483.48 Momenta zeroed out, time 33483.48 Velocities reset to random values, time 33576.87 Momenta zeroed out, time 33576.87 Velocities reset to random values, time 33668.36 Momenta zeroed out, time 33668.36 Velocities reset to random values, time 33759.00 Momenta zeroed out, time 33759.00 Velocities reset to random values, time 33852.38 Momenta zeroed out, time 33852.38 Velocities reset to random values, time 33942.15 Momenta zeroed out, time 33942.15 Velocities reset to random values, time 34027.63 Momenta zeroed out, time 34027.63 Velocities reset to random values, time 34119.81 Momenta zeroed out, time 34119.81 Velocities reset to random values, time 34206.58 Momenta zeroed out, time 34206.58 Velocities reset to random values, time 34300.29 Momenta zeroed out, time 34300.29 Velocities reset to random values, time 34392.32 Momenta zeroed out, time 34392.32 Velocities reset to random values, time 34484.24 Momenta zeroed out, time 34484.24 Velocities reset to random values, time 34572.94 Momenta zeroed out, time 34572.94 Velocities reset to random values, time 34672.46 Momenta zeroed out, time 34672.46 Velocities reset to random values, time 34768.95 Momenta zeroed out, time 34768.95 Velocities reset to random values, time 34858.20 Momenta zeroed out, time 34858.20 Velocities reset to random values, time 34948.96 Momenta zeroed out, time 34948.96 Velocities reset to random values, time 35031.56 Momenta zeroed out, time 35031.56 Velocities reset to random values, time 35124.16 Momenta zeroed out, time 35124.16 Velocities reset to random values, time 35220.21 Momenta zeroed out, time 35220.21 Velocities reset to random values, time 35319.87 Momenta zeroed out, time 35319.87 Velocities reset to random values, time 35405.91 Momenta zeroed out, time 35405.91 Velocities reset to random values, time 35503.09 Momenta zeroed out, time 35503.09 Velocities reset to random values, time 35594.62 Momenta zeroed out, time 35594.62 Velocities reset to random values, time 35693.57 Momenta zeroed out, time 35693.57 Velocities reset to random values, time 35785.32 Momenta zeroed out, time 35785.32 Velocities reset to random values, time 35877.07 Momenta zeroed out, time 35877.07 Velocities reset to random values, time 35974.59 Momenta zeroed out, time 35974.59 Velocities reset to random values, time 36069.87 Momenta zeroed out, time 36069.87 Velocities reset to random values, time 36161.65 Momenta zeroed out, time 36161.65 Velocities reset to random values, time 36235.33 Momenta zeroed out, time 36235.33 Velocities reset to random values, time 36322.71 Momenta zeroed out, time 36322.71 Velocities reset to random values, time 36422.04 Momenta zeroed out, time 36422.04 Velocities reset to random values, time 36509.85 Momenta zeroed out, time 36509.85 Velocities reset to random values, time 36590.25 Momenta zeroed out, time 36590.25 Velocities reset to random values, time 36680.85 Momenta zeroed out, time 36680.85 Velocities reset to random values, time 36772.07 Momenta zeroed out, time 36772.07 Velocities reset to random values, time 36865.27 Momenta zeroed out, time 36865.27 Velocities reset to random values, time 36954.60 Momenta zeroed out, time 36954.60 Velocities reset to random values, time 37046.83 Momenta zeroed out, time 37046.83 Velocities reset to random values, time 37141.75 Momenta zeroed out, time 37141.75 Velocities reset to random values, time 37238.00 Momenta zeroed out, time 37238.00 Velocities reset to random values, time 37337.54 Momenta zeroed out, time 37337.54 Velocities reset to random values, time 37429.87 Momenta zeroed out, time 37429.87 Velocities reset to random values, time 37512.15 Momenta zeroed out, time 37512.15 Velocities reset to random values, time 37602.79 Momenta zeroed out, time 37602.79 Velocities reset to random values, time 37695.39 Momenta zeroed out, time 37695.39 Velocities reset to random values, time 37785.59 Momenta zeroed out, time 37785.59 Velocities reset to random values, time 37876.06 Momenta zeroed out, time 37876.06 Velocities reset to random values, time 37964.00 Momenta zeroed out, time 37964.00 Velocities reset to random values, time 38047.71 Momenta zeroed out, time 38047.71 Velocities reset to random values, time 38138.68 Momenta zeroed out, time 38138.68 Velocities reset to random values, time 38227.60 Momenta zeroed out, time 38227.60 Velocities reset to random values, time 38322.53 Momenta zeroed out, time 38322.53 Velocities reset to random values, time 38415.28 Momenta zeroed out, time 38415.28 Velocities reset to random values, time 38510.14 Momenta zeroed out, time 38510.14 Velocities reset to random values, time 38601.29 Momenta zeroed out, time 38601.29 Velocities reset to random values, time 38688.45 Momenta zeroed out, time 38688.45 Velocities reset to random values, time 38779.20 Momenta zeroed out, time 38779.20 Velocities reset to random values, time 38871.92 Momenta zeroed out, time 38871.92 Velocities reset to random values, time 38969.67 Momenta zeroed out, time 38969.67 Velocities reset to random values, time 39063.49 Momenta zeroed out, time 39063.49 Velocities reset to random values, time 39156.58 Momenta zeroed out, time 39156.58 Velocities reset to random values, time 39243.50 Momenta zeroed out, time 39243.50 Velocities reset to random values, time 39337.77 Momenta zeroed out, time 39337.77 Velocities reset to random values, time 39412.59 Momenta zeroed out, time 39412.59 Velocities reset to random values, time 39496.38 Momenta zeroed out, time 39496.38 Velocities reset to random values, time 39589.06 Momenta zeroed out, time 39589.06 Velocities reset to random values, time 39685.45 Momenta zeroed out, time 39685.45 Velocities reset to random values, time 39777.17 Momenta zeroed out, time 39777.17 Velocities reset to random values, time 39864.94 Momenta zeroed out, time 39864.94 Velocities reset to random values, time 39953.41 Momenta zeroed out, time 39953.41 Velocities reset to random values, time 40038.89 Momenta zeroed out, time 40038.89 Velocities reset to random values, time 40130.38 Momenta zeroed out, time 40130.38 Velocities reset to random values, time 40227.79 Momenta zeroed out, time 40227.79 Velocities reset to random values, time 40315.65 Momenta zeroed out, time 40315.65 Velocities reset to random values, time 40407.63 Momenta zeroed out, time 40407.63 Velocities reset to random values, time 40495.38 Momenta zeroed out, time 40495.38 Velocities reset to random values, time 40587.76 Momenta zeroed out, time 40587.76 Velocities reset to random values, time 40671.09 Momenta zeroed out, time 40671.09 Velocities reset to random values, time 40762.01 Momenta zeroed out, time 40762.01 Velocities reset to random values, time 40853.51 Momenta zeroed out, time 40853.51 Velocities reset to random values, time 40938.35 Momenta zeroed out, time 40938.35 Velocities reset to random values, time 41038.00 Momenta zeroed out, time 41038.00 Velocities reset to random values, time 41134.52 Momenta zeroed out, time 41134.52 Velocities reset to random values, time 41229.42 Momenta zeroed out, time 41229.42 Velocities reset to random values, time 41324.29 Momenta zeroed out, time 41324.29 Velocities reset to random values, time 41422.16 Momenta zeroed out, time 41422.16 Velocities reset to random values, time 41508.79 Momenta zeroed out, time 41508.79 Velocities reset to random values, time 41592.34 Momenta zeroed out, time 41592.34 Velocities reset to random values, time 41681.66 Momenta zeroed out, time 41681.66 Velocities reset to random values, time 41768.04 Momenta zeroed out, time 41768.04 Velocities reset to random values, time 41864.55 Momenta zeroed out, time 41864.55 Velocities reset to random values, time 41949.83 Momenta zeroed out, time 41949.83 Velocities reset to random values, time 42043.04 Momenta zeroed out, time 42043.04 Velocities reset to random values, time 42134.67 Momenta zeroed out, time 42134.67 Velocities reset to random values, time 42224.37 Momenta zeroed out, time 42224.37 Velocities reset to random values, time 42315.60 Momenta zeroed out, time 42315.60 Velocities reset to random values, time 42394.38 Momenta zeroed out, time 42394.38 Velocities reset to random values, time 42488.18 Momenta zeroed out, time 42488.18 Velocities reset to random values, time 42575.43 Momenta zeroed out, time 42575.43 Velocities reset to random values, time 42663.02 Momenta zeroed out, time 42663.02 Velocities reset to random values, time 42751.41 Momenta zeroed out, time 42751.41 Velocities reset to random values, time 42839.26 Momenta zeroed out, time 42839.26 Velocities reset to random values, time 42934.96 Momenta zeroed out, time 42934.96 Velocities reset to random values, time 43026.39 Momenta zeroed out, time 43026.39 Velocities reset to random values, time 43124.86 Momenta zeroed out, time 43124.86 Velocities reset to random values, time 43218.29 Momenta zeroed out, time 43218.29 Velocities reset to random values, time 43304.14 Momenta zeroed out, time 43304.14 Velocities reset to random values, time 43398.90 Momenta zeroed out, time 43398.90 Velocities reset to random values, time 43488.60 Momenta zeroed out, time 43488.60 Velocities reset to random values, time 43585.05 Momenta zeroed out, time 43585.05 Velocities reset to random values, time 43679.60 Momenta zeroed out, time 43679.60 Velocities reset to random values, time 43768.32 Momenta zeroed out, time 43768.32 Velocities reset to random values, time 43864.29 Momenta zeroed out, time 43864.29 Velocities reset to random values, time 43956.93 Momenta zeroed out, time 43956.93 Velocities reset to random values, time 44051.39 Momenta zeroed out, time 44051.39 Velocities reset to random values, time 44145.01 Momenta zeroed out, time 44145.01 Velocities reset to random values, time 44236.37 Momenta zeroed out, time 44236.37 Velocities reset to random values, time 44326.59 Momenta zeroed out, time 44326.59 Velocities reset to random values, time 44408.42 Momenta zeroed out, time 44408.42 Velocities reset to random values, time 44506.98 Momenta zeroed out, time 44506.98 Velocities reset to random values, time 44598.82 Momenta zeroed out, time 44598.82 Velocities reset to random values, time 44691.16 Momenta zeroed out, time 44691.16 Velocities reset to random values, time 44783.56 Momenta zeroed out, time 44783.56 Velocities reset to random values, time 44876.80 Momenta zeroed out, time 44876.80 Velocities reset to random values, time 44976.80 Momenta zeroed out, time 44976.80 Velocities reset to random values, time 45068.03 Momenta zeroed out, time 45068.03 Velocities reset to random values, time 45155.41 Momenta zeroed out, time 45155.41 Velocities reset to random values, time 45242.73 Momenta zeroed out, time 45242.73 Velocities reset to random values, time 45333.47 Momenta zeroed out, time 45333.47 Velocities reset to random values, time 45425.35 Momenta zeroed out, time 45425.35 Velocities reset to random values, time 45517.56 Momenta zeroed out, time 45517.56 Velocities reset to random values, time 45615.00 Momenta zeroed out, time 45615.00 Velocities reset to random values, time 45710.01 Momenta zeroed out, time 45710.01 =================================== Timing =================================== MD calculations setup: 3.00000E-02 Energy & gradient evaluation: 3.62660E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 MD steps: 3.93140E+02 ============================ End of MD calculation =========================== ***** Computation time: 0 hours 6 minutes 33 seconds *****