-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : ala10.inp Output file : ala10.out_GB Sidechain potential file : ../../PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc 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. ******************************************************************************** ### LAST MODIFIED 6/23/05 7:29PM by czarek ++++ Compile info ++++ Version 2.3 build 2522 compiled Wed Feb 7 10:22:35 2007 compiled by adam@matrix OS name: Linux OS release: 2.4.20-28.7smp OS version: #1 SMP Thu Dec 18 11:18:31 EST 2003 flags: FC= mpif90 OPT = -fast -pc 64 -tp p6 \ -Minline=name:scalar2,scalar,transpose2,matvec2... OPT1 = -C -g -fast -pc 64 -tp p6 FFLAGS = -c ${OPT} FFLAGS1 = -c ${OPT1} BIN = ../bin/unres_MD_Tc-pgf90.exe LIBS = -L../xdrf -lxdrf CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS... ARCH = LINUX PP = /lib/cpp -P objectCSA = unres_CSA.o arcos.o cartprint.o cha... ++++ End of compile info ++++ 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 0.3835691052412471 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= 1.709050 (SC-SC) WSCP= 2.183100 (SC-p) WELEC= 1.066840 (p-p electr) WVDWPP= 0.270440 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.175360 (bending) WSCLOC= 0.220700 (SC local) WTOR= 2.657980 (torsional) WTORD= 2.006460 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.427890 (multi-body 3-rd order) WCORR4= 0.235410 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.681260 (turns, 3rd order) WTURN4= 0.750800 (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= 1.709050 (SC-SC) WSCP= 2.183100 (SC-p) WELEC= 1.066840 (p-p electr) WVDWPP= 0.270440 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.175360 (bending) WSCLOC= 0.220700 (SC local) WTOR= 2.657980 (torsional) WTORD= 2.006460 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.427890 (multi-body 3-rd order) WCORR4= 0.235410 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.681260 (turns, 3rd order) WTURN4= 0.750800 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Reference temperature for weights calculation: 300.0000000000000 Parameters of the SS-bond potential: D0CM 3.780000000000000 AKCM 15.10000000000000 AKTH 11.00000000000000 AKCT 12.00000000000000 V1SS -1.080000000000000 V2SS 7.610000000000000 V3SS 13.70000000000000 EBR -5.500000000000000 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 -0.1292044072347365 -0.1370883142294474 0.1450622066304738 0.1135659089946242 0.2531530570231780 -2.6565029694473186E-002 -0.1061937693833983 -0.1116623297125810 -0.1582134623125046 0.1545984092292579 -9.5458384361267345E-002 0.2197564080243345 3.9253268850590239E-002 0.1123725925807762 -0.1841480892990661 -6.8605618925982661E-002 9.0232818611994965E-002 4.2690022882654546E-002 4.2068927420239426E-002 -0.1660727793995226 6.3236006328115888E-002 -0.2246162891147453 -7.5204025657064495E-002 -4.4972087793837261E-003 0.1407143959355549 -3.4615621251325446E-003 0.2201998145518047 Initial side-chain velocities 4.0314066347349105E-002 -7.9452612396078042E-003 -8.4887510982620675E-002 0.2391429996690809 6.5174837396261882E-002 -0.2025565503235577 -5.7929614894672508E-002 -0.1091044722273856 -6.3463220383071519E-002 4.3971511738875755E-002 0.1425586201712362 0.1082168256426811 2.1022986530089516E-002 -3.7926561161191428E-002 -0.3459376038867435 -0.3216785073930533 -0.2271802994821818 -2.7866671764172763E-003 -4.3384536837065637E-002 -5.7857977536535330E-002 -0.1168367005191997 5.0313878916894144E-002 8.4990541332738250E-002 -3.4940810102709556E-004 0.2124368061520667 -0.1534799359509317 -0.3040129845249302 0.3262798718940485 0.2629052218443054 -0.3550178143255543 Calling the zero-angular momentum subroutine vcm right after adjustment: -5.3264073145434798E-018 1.5979221943630439E-017 -1.0652814629086960E-017 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 14.35302171786832 -15.42067003873394 10.45502236762420 -3.731027523592732 -2.225630652057018 0.0000000000000000 0.0000000000000000 16.44792980844787 -1.490244503790861 6.106255838619212 0.0000000000000000 -2.106037555706406 94.24774722083271 0.0000000000000000 -0.9403905000000000 0.0000000000000000 -11.71261261559355 1.5345809796877492E-027 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 Initial: Kinetic energy 14.85089585356783 potential energy 14.35302171786832 total energy 29.20391757143616 maximum acceleration 0.1619111320559680 Velocities reset to random values, time 90.09 Momenta zeroed out, time 90.09 Velocities reset to random values, time 184.26 Momenta zeroed out, time 184.26 Velocities reset to random values, time 284.11 Momenta zeroed out, time 284.11 Velocities reset to random values, time 375.30 Momenta zeroed out, time 375.30 Velocities reset to random values, time 472.13 Momenta zeroed out, time 472.13 Velocities reset to random values, time 565.04 Momenta zeroed out, time 565.04 Velocities reset to random values, time 645.31 Momenta zeroed out, time 645.31 Velocities reset to random values, time 733.33 Momenta zeroed out, time 733.33 Velocities reset to random values, time 817.30 Momenta zeroed out, time 817.30 Velocities reset to random values, time 885.07 Momenta zeroed out, time 885.07 Velocities reset to random values, time 973.56 Momenta zeroed out, time 973.56 Velocities reset to random values, time 1044.03 Momenta zeroed out, time 1044.03 Velocities reset to random values, time 1129.11 Momenta zeroed out, time 1129.11 Velocities reset to random values, time 1210.34 Momenta zeroed out, time 1210.34 Velocities reset to random values, time 1308.81 Momenta zeroed out, time 1308.81 Velocities reset to random values, time 1398.10 Momenta zeroed out, time 1398.10 Velocities reset to random values, time 1488.18 Momenta zeroed out, time 1488.18 Velocities reset to random values, time 1576.23 Momenta zeroed out, time 1576.23 Velocities reset to random values, time 1656.58 Momenta zeroed out, time 1656.58 Velocities reset to random values, time 1741.96 Momenta zeroed out, time 1741.96 Velocities reset to random values, time 1822.02 Momenta zeroed out, time 1822.02 Velocities reset to random values, time 1911.10 Momenta zeroed out, time 1911.10 Velocities reset to random values, time 1994.19 Momenta zeroed out, time 1994.19 Velocities reset to random values, time 2082.13 Momenta zeroed out, time 2082.13 Velocities reset to random values, time 2171.56 Momenta zeroed out, time 2171.56 Velocities reset to random values, time 2261.50 Momenta zeroed out, time 2261.50 Velocities reset to random values, time 2357.68 Momenta zeroed out, time 2357.68 Velocities reset to random values, time 2444.83 Momenta zeroed out, time 2444.83 Velocities reset to random values, time 2539.41 Momenta zeroed out, time 2539.41 Velocities reset to random values, time 2630.91 Momenta zeroed out, time 2630.91 Velocities reset to random values, time 2712.43 Momenta zeroed out, time 2712.43 Velocities reset to random values, time 2808.17 Momenta zeroed out, time 2808.17 Velocities reset to random values, time 2892.92 Momenta zeroed out, time 2892.92 Velocities reset to random values, time 2982.55 Momenta zeroed out, time 2982.55 Velocities reset to random values, time 3078.38 Momenta zeroed out, time 3078.38 Velocities reset to random values, time 3165.40 Momenta zeroed out, time 3165.40 Velocities reset to random values, time 3257.59 Momenta zeroed out, time 3257.59 Velocities reset to random values, time 3346.26 Momenta zeroed out, time 3346.26 Velocities reset to random values, time 3415.63 Momenta zeroed out, time 3415.63 Velocities reset to random values, time 3492.93 Momenta zeroed out, time 3492.93 Velocities reset to random values, time 3582.73 Momenta zeroed out, time 3582.73 Velocities reset to random values, time 3654.67 Momenta zeroed out, time 3654.67 Velocities reset to random values, time 3733.08 Momenta zeroed out, time 3733.08 Velocities reset to random values, time 3805.42 Momenta zeroed out, time 3805.42 Velocities reset to random values, time 3882.53 Momenta zeroed out, time 3882.53 Velocities reset to random values, time 3963.40 Momenta zeroed out, time 3963.40 Velocities reset to random values, time 4058.64 Momenta zeroed out, time 4058.64 Velocities reset to random values, time 4142.28 Momenta zeroed out, time 4142.28 Velocities reset to random values, time 4232.44 Momenta zeroed out, time 4232.44 Velocities reset to random values, time 4324.37 Momenta zeroed out, time 4324.37 Velocities reset to random values, time 4420.21 Momenta zeroed out, time 4420.21 Velocities reset to random values, time 4513.30 Momenta zeroed out, time 4513.30 Velocities reset to random values, time 4613.30 Momenta zeroed out, time 4613.30 Velocities reset to random values, time 4699.69 Momenta zeroed out, time 4699.69 Velocities reset to random values, time 4798.17 Momenta zeroed out, time 4798.17 Velocities reset to random values, time 4892.12 Momenta zeroed out, time 4892.12 Velocities reset to random values, time 4983.29 Momenta zeroed out, time 4983.29 Velocities reset to random values, time 5069.99 Momenta zeroed out, time 5069.99 Velocities reset to random values, time 5157.33 Momenta zeroed out, time 5157.33 Velocities reset to random values, time 5247.60 Momenta zeroed out, time 5247.60 Velocities reset to random values, time 5337.73 Momenta zeroed out, time 5337.73 Velocities reset to random values, time 5426.82 Momenta zeroed out, time 5426.82 Velocities reset to random values, time 5509.17 Momenta zeroed out, time 5509.17 Velocities reset to random values, time 5594.53 Momenta zeroed out, time 5594.53 Velocities reset to random values, time 5682.27 Momenta zeroed out, time 5682.27 Velocities reset to random values, time 5760.23 Momenta zeroed out, time 5760.23 Velocities reset to random values, time 5849.96 Momenta zeroed out, time 5849.96 Velocities reset to random values, time 5934.22 Momenta zeroed out, time 5934.22 Velocities reset to random values, time 6032.72 Momenta zeroed out, time 6032.72 Velocities reset to random values, time 6122.66 Momenta zeroed out, time 6122.66 Velocities reset to random values, time 6221.07 Momenta zeroed out, time 6221.07 Velocities reset to random values, time 6317.13 Momenta zeroed out, time 6317.13 Velocities reset to random values, time 6403.20 Momenta zeroed out, time 6403.20 Velocities reset to random values, time 6491.03 Momenta zeroed out, time 6491.03 Velocities reset to random values, time 6588.75 Momenta zeroed out, time 6588.75 Velocities reset to random values, time 6679.63 Momenta zeroed out, time 6679.63 Velocities reset to random values, time 6765.39 Momenta zeroed out, time 6765.39 Velocities reset to random values, time 6839.17 Momenta zeroed out, time 6839.17 Velocities reset to random values, time 6930.56 Momenta zeroed out, time 6930.56 Velocities reset to random values, time 7016.19 Momenta zeroed out, time 7016.19 Velocities reset to random values, time 7091.43 Momenta zeroed out, time 7091.43 Velocities reset to random values, time 7166.24 Momenta zeroed out, time 7166.24 Velocities reset to random values, time 7242.64 Momenta zeroed out, time 7242.64 Velocities reset to random values, time 7321.83 Momenta zeroed out, time 7321.83 Velocities reset to random values, time 7411.81 Momenta zeroed out, time 7411.81 Velocities reset to random values, time 7505.37 Momenta zeroed out, time 7505.37 Velocities reset to random values, time 7583.27 Momenta zeroed out, time 7583.27 Velocities reset to random values, time 7672.63 Momenta zeroed out, time 7672.63 Velocities reset to random values, time 7761.68 Momenta zeroed out, time 7761.68 Velocities reset to random values, time 7849.80 Momenta zeroed out, time 7849.80 Velocities reset to random values, time 7925.51 Momenta zeroed out, time 7925.51 Velocities reset to random values, time 8025.51 Momenta zeroed out, time 8025.51 Velocities reset to random values, time 8117.00 Momenta zeroed out, time 8117.00 Velocities reset to random values, time 8215.04 Momenta zeroed out, time 8215.04 Velocities reset to random values, time 8308.24 Momenta zeroed out, time 8308.24 Velocities reset to random values, time 8402.61 Momenta zeroed out, time 8402.61 Velocities reset to random values, time 8490.83 Momenta zeroed out, time 8490.83 Velocities reset to random values, time 8581.69 Momenta zeroed out, time 8581.69 Velocities reset to random values, time 8668.78 Momenta zeroed out, time 8668.78 Velocities reset to random values, time 8741.80 Momenta zeroed out, time 8741.80 Velocities reset to random values, time 8832.10 Momenta zeroed out, time 8832.10 Velocities reset to random values, time 8901.77 Momenta zeroed out, time 8901.77 Velocities reset to random values, time 8987.31 Momenta zeroed out, time 8987.31 Velocities reset to random values, time 9072.44 Momenta zeroed out, time 9072.44 Velocities reset to random values, time 9154.87 Momenta zeroed out, time 9154.87 Velocities reset to random values, time 9253.99 Momenta zeroed out, time 9253.99 Velocities reset to random values, time 9343.11 Momenta zeroed out, time 9343.11 Velocities reset to random values, time 9423.26 Momenta zeroed out, time 9423.26 Velocities reset to random values, time 9522.13 Momenta zeroed out, time 9522.13 Velocities reset to random values, time 9607.77 Momenta zeroed out, time 9607.77 Velocities reset to random values, time 9692.55 Momenta zeroed out, time 9692.55 Velocities reset to random values, time 9785.60 Momenta zeroed out, time 9785.60 Velocities reset to random values, time 9874.90 Momenta zeroed out, time 9874.90 Velocities reset to random values, time 9969.92 Momenta zeroed out, time 9969.92 Velocities reset to random values, time 10055.78 Momenta zeroed out, time 10055.78 Velocities reset to random values, time 10148.50 Momenta zeroed out, time 10148.50 Velocities reset to random values, time 10243.51 Momenta zeroed out, time 10243.51 Velocities reset to random values, time 10332.02 Momenta zeroed out, time 10332.02 Velocities reset to random values, time 10419.58 Momenta zeroed out, time 10419.58 Velocities reset to random values, time 10515.48 Momenta zeroed out, time 10515.48 Velocities reset to random values, time 10604.77 Momenta zeroed out, time 10604.77 Velocities reset to random values, time 10698.96 Momenta zeroed out, time 10698.96 Velocities reset to random values, time 10789.89 Momenta zeroed out, time 10789.89 Velocities reset to random values, time 10880.42 Momenta zeroed out, time 10880.42 Velocities reset to random values, time 10972.42 Momenta zeroed out, time 10972.42 Velocities reset to random values, time 11058.31 Momenta zeroed out, time 11058.31 Velocities reset to random values, time 11158.22 Momenta zeroed out, time 11158.22 Velocities reset to random values, time 11250.66 Momenta zeroed out, time 11250.66 Velocities reset to random values, time 11346.08 Momenta zeroed out, time 11346.08 Velocities reset to random values, time 11412.95 Momenta zeroed out, time 11412.95 Velocities reset to random values, time 11511.50 Momenta zeroed out, time 11511.50 Velocities reset to random values, time 11610.51 Momenta zeroed out, time 11610.51 Velocities reset to random values, time 11693.23 Momenta zeroed out, time 11693.23 Velocities reset to random values, time 11773.02 Momenta zeroed out, time 11773.02 Velocities reset to random values, time 11873.02 Momenta zeroed out, time 11873.02 Velocities reset to random values, time 11968.40 Momenta zeroed out, time 11968.40 Velocities reset to random values, time 12053.64 Momenta zeroed out, time 12053.64 Velocities reset to random values, time 12152.66 Momenta zeroed out, time 12152.66 Velocities reset to random values, time 12249.84 Momenta zeroed out, time 12249.84 Velocities reset to random values, time 12349.84 Momenta zeroed out, time 12349.84 Velocities reset to random values, time 12439.23 Momenta zeroed out, time 12439.23 Velocities reset to random values, time 12535.11 Momenta zeroed out, time 12535.11 Velocities reset to random values, time 12632.81 Momenta zeroed out, time 12632.81 Velocities reset to random values, time 12728.32 Momenta zeroed out, time 12728.32 Velocities reset to random values, time 12817.06 Momenta zeroed out, time 12817.06 Velocities reset to random values, time 12901.54 Momenta zeroed out, time 12901.54 Velocities reset to random values, time 12985.20 Momenta zeroed out, time 12985.20 Velocities reset to random values, time 13066.11 Momenta zeroed out, time 13066.11 Velocities reset to random values, time 13152.92 Momenta zeroed out, time 13152.92 Velocities reset to random values, time 13240.08 Momenta zeroed out, time 13240.08 Velocities reset to random values, time 13332.30 Momenta zeroed out, time 13332.30 Velocities reset to random values, time 13415.47 Momenta zeroed out, time 13415.47 Velocities reset to random values, time 13502.54 Momenta zeroed out, time 13502.54 Velocities reset to random values, time 13600.77 Momenta zeroed out, time 13600.77 Velocities reset to random values, time 13696.18 Momenta zeroed out, time 13696.18 Velocities reset to random values, time 13788.62 Momenta zeroed out, time 13788.62 Velocities reset to random values, time 13885.09 Momenta zeroed out, time 13885.09 Velocities reset to random values, time 13968.86 Momenta zeroed out, time 13968.86 Velocities reset to random values, time 14065.54 Momenta zeroed out, time 14065.54 Velocities reset to random values, time 14154.29 Momenta zeroed out, time 14154.29 Velocities reset to random values, time 14234.68 Momenta zeroed out, time 14234.68 Velocities reset to random values, time 14327.31 Momenta zeroed out, time 14327.31 Velocities reset to random values, time 14421.44 Momenta zeroed out, time 14421.44 Velocities reset to random values, time 14515.76 Momenta zeroed out, time 14515.76 Velocities reset to random values, time 14610.25 Momenta zeroed out, time 14610.25 Velocities reset to random values, time 14705.36 Momenta zeroed out, time 14705.36 Velocities reset to random values, time 14791.03 Momenta zeroed out, time 14791.03 Velocities reset to random values, time 14880.91 Momenta zeroed out, time 14880.91 Velocities reset to random values, time 14966.66 Momenta zeroed out, time 14966.66 Velocities reset to random values, time 15048.34 Momenta zeroed out, time 15048.34 Velocities reset to random values, time 15147.80 Momenta zeroed out, time 15147.80 Velocities reset to random values, time 15236.77 Momenta zeroed out, time 15236.77 Velocities reset to random values, time 15325.02 Momenta zeroed out, time 15325.02 Velocities reset to random values, time 15403.53 Momenta zeroed out, time 15403.53 Velocities reset to random values, time 15497.51 Momenta zeroed out, time 15497.51 Velocities reset to random values, time 15597.51 Momenta zeroed out, time 15597.51 Velocities reset to random values, time 15687.53 Momenta zeroed out, time 15687.53 Velocities reset to random values, time 15766.62 Momenta zeroed out, time 15766.62 Velocities reset to random values, time 15849.63 Momenta zeroed out, time 15849.63 Velocities reset to random values, time 15948.84 Momenta zeroed out, time 15948.84 Velocities reset to random values, time 16030.56 Momenta zeroed out, time 16030.56 Velocities reset to random values, time 16125.49 Momenta zeroed out, time 16125.49 Velocities reset to random values, time 16222.12 Momenta zeroed out, time 16222.12 Velocities reset to random values, time 16317.99 Momenta zeroed out, time 16317.99 Velocities reset to random values, time 16415.73 Momenta zeroed out, time 16415.73 Velocities reset to random values, time 16494.95 Momenta zeroed out, time 16494.95 Velocities reset to random values, time 16594.95 Momenta zeroed out, time 16594.95 Velocities reset to random values, time 16692.08 Momenta zeroed out, time 16692.08 Velocities reset to random values, time 16787.12 Momenta zeroed out, time 16787.12 Velocities reset to random values, time 16884.72 Momenta zeroed out, time 16884.72 Velocities reset to random values, time 16968.09 Momenta zeroed out, time 16968.09 Velocities reset to random values, time 17063.95 Momenta zeroed out, time 17063.95 Velocities reset to random values, time 17155.72 Momenta zeroed out, time 17155.72 Velocities reset to random values, time 17248.25 Momenta zeroed out, time 17248.25 Velocities reset to random values, time 17332.86 Momenta zeroed out, time 17332.86 Velocities reset to random values, time 17410.44 Momenta zeroed out, time 17410.44 Velocities reset to random values, time 17500.65 Momenta zeroed out, time 17500.65 Velocities reset to random values, time 17583.98 Momenta zeroed out, time 17583.98 Velocities reset to random values, time 17683.31 Momenta zeroed out, time 17683.31 Velocities reset to random values, time 17771.56 Momenta zeroed out, time 17771.56 Velocities reset to random values, time 17865.37 Momenta zeroed out, time 17865.37 Velocities reset to random values, time 17958.71 Momenta zeroed out, time 17958.71 Velocities reset to random values, time 18045.59 Momenta zeroed out, time 18045.59 Velocities reset to random values, time 18133.42 Momenta zeroed out, time 18133.42 Velocities reset to random values, time 18226.09 Momenta zeroed out, time 18226.09 Velocities reset to random values, time 18320.67 Momenta zeroed out, time 18320.67 Velocities reset to random values, time 18420.67 Momenta zeroed out, time 18420.67 Velocities reset to random values, time 18493.87 Momenta zeroed out, time 18493.87 Velocities reset to random values, time 18575.04 Momenta zeroed out, time 18575.04 Velocities reset to random values, time 18649.74 Momenta zeroed out, time 18649.74 Velocities reset to random values, time 18749.53 Momenta zeroed out, time 18749.53 Velocities reset to random values, time 18849.53 Momenta zeroed out, time 18849.53 Velocities reset to random values, time 18939.48 Momenta zeroed out, time 18939.48 Velocities reset to random values, time 19011.84 Momenta zeroed out, time 19011.84 Velocities reset to random values, time 19110.83 Momenta zeroed out, time 19110.83 Velocities reset to random values, time 19202.46 Momenta zeroed out, time 19202.46 Velocities reset to random values, time 19294.07 Momenta zeroed out, time 19294.07 Velocities reset to random values, time 19380.08 Momenta zeroed out, time 19380.08 Velocities reset to random values, time 19471.92 Momenta zeroed out, time 19471.92 Velocities reset to random values, time 19566.07 Momenta zeroed out, time 19566.07 Velocities reset to random values, time 19649.13 Momenta zeroed out, time 19649.13 Velocities reset to random values, time 19746.03 Momenta zeroed out, time 19746.03 Velocities reset to random values, time 19845.21 Momenta zeroed out, time 19845.21 Velocities reset to random values, time 19939.46 Momenta zeroed out, time 19939.46 Velocities reset to random values, time 20032.93 Momenta zeroed out, time 20032.93 Velocities reset to random values, time 20119.56 Momenta zeroed out, time 20119.56 Velocities reset to random values, time 20213.11 Momenta zeroed out, time 20213.11 Velocities reset to random values, time 20305.69 Momenta zeroed out, time 20305.69 Velocities reset to random values, time 20399.38 Momenta zeroed out, time 20399.38 Velocities reset to random values, time 20495.98 Momenta zeroed out, time 20495.98 Velocities reset to random values, time 20563.12 Momenta zeroed out, time 20563.12 Velocities reset to random values, time 20647.01 Momenta zeroed out, time 20647.01 Velocities reset to random values, time 20741.84 Momenta zeroed out, time 20741.84 Velocities reset to random values, time 20822.70 Momenta zeroed out, time 20822.70 Velocities reset to random values, time 20911.21 Momenta zeroed out, time 20911.21 Velocities reset to random values, time 21009.18 Momenta zeroed out, time 21009.18 Velocities reset to random values, time 21087.28 Momenta zeroed out, time 21087.28 Velocities reset to random values, time 21173.48 Momenta zeroed out, time 21173.48 Velocities reset to random values, time 21262.26 Momenta zeroed out, time 21262.26 Velocities reset to random values, time 21351.16 Momenta zeroed out, time 21351.16 Velocities reset to random values, time 21429.45 Momenta zeroed out, time 21429.45 Velocities reset to random values, time 21515.97 Momenta zeroed out, time 21515.97 Velocities reset to random values, time 21615.97 Momenta zeroed out, time 21615.97 Velocities reset to random values, time 21706.71 Momenta zeroed out, time 21706.71 Velocities reset to random values, time 21793.76 Momenta zeroed out, time 21793.76 Velocities reset to random values, time 21892.33 Momenta zeroed out, time 21892.33 Velocities reset to random values, time 21991.86 Momenta zeroed out, time 21991.86 Velocities reset to random values, time 22075.47 Momenta zeroed out, time 22075.47 Velocities reset to random values, time 22162.83 Momenta zeroed out, time 22162.83 Velocities reset to random values, time 22248.29 Momenta zeroed out, time 22248.29 Velocities reset to random values, time 22342.28 Momenta zeroed out, time 22342.28 Velocities reset to random values, time 22437.67 Momenta zeroed out, time 22437.67 Velocities reset to random values, time 22536.26 Momenta zeroed out, time 22536.26 Velocities reset to random values, time 22634.18 Momenta zeroed out, time 22634.18 Velocities reset to random values, time 22722.51 Momenta zeroed out, time 22722.51 Velocities reset to random values, time 22812.06 Momenta zeroed out, time 22812.06 Velocities reset to random values, time 22910.17 Momenta zeroed out, time 22910.17 Velocities reset to random values, time 22992.49 Momenta zeroed out, time 22992.49 Velocities reset to random values, time 23088.37 Momenta zeroed out, time 23088.37 Velocities reset to random values, time 23163.85 Momenta zeroed out, time 23163.85 Velocities reset to random values, time 23255.15 Momenta zeroed out, time 23255.15 Velocities reset to random values, time 23339.71 Momenta zeroed out, time 23339.71 Velocities reset to random values, time 23433.25 Momenta zeroed out, time 23433.25 Velocities reset to random values, time 23518.93 Momenta zeroed out, time 23518.93 Velocities reset to random values, time 23607.33 Momenta zeroed out, time 23607.33 Velocities reset to random values, time 23687.69 Momenta zeroed out, time 23687.69 Velocities reset to random values, time 23770.76 Momenta zeroed out, time 23770.76 Velocities reset to random values, time 23859.01 Momenta zeroed out, time 23859.01 Velocities reset to random values, time 23942.04 Momenta zeroed out, time 23942.04 Velocities reset to random values, time 24018.07 Momenta zeroed out, time 24018.07 Velocities reset to random values, time 24104.06 Momenta zeroed out, time 24104.06 Velocities reset to random values, time 24184.05 Momenta zeroed out, time 24184.05 Velocities reset to random values, time 24261.11 Momenta zeroed out, time 24261.11 Velocities reset to random values, time 24361.11 Momenta zeroed out, time 24361.11 Velocities reset to random values, time 24450.05 Momenta zeroed out, time 24450.05 Velocities reset to random values, time 24542.28 Momenta zeroed out, time 24542.28 Velocities reset to random values, time 24627.09 Momenta zeroed out, time 24627.09 Velocities reset to random values, time 24718.44 Momenta zeroed out, time 24718.44 Velocities reset to random values, time 24810.03 Momenta zeroed out, time 24810.03 Velocities reset to random values, time 24896.78 Momenta zeroed out, time 24896.78 Velocities reset to random values, time 24964.37 Momenta zeroed out, time 24964.37 Velocities reset to random values, time 25053.75 Momenta zeroed out, time 25053.75 Velocities reset to random values, time 25142.10 Momenta zeroed out, time 25142.10 Velocities reset to random values, time 25241.72 Momenta zeroed out, time 25241.72 Velocities reset to random values, time 25341.25 Momenta zeroed out, time 25341.25 Velocities reset to random values, time 25411.06 Momenta zeroed out, time 25411.06 Velocities reset to random values, time 25494.76 Momenta zeroed out, time 25494.76 Velocities reset to random values, time 25590.86 Momenta zeroed out, time 25590.86 Velocities reset to random values, time 25670.33 Momenta zeroed out, time 25670.33 Velocities reset to random values, time 25763.10 Momenta zeroed out, time 25763.10 Velocities reset to random values, time 25853.35 Momenta zeroed out, time 25853.35 Velocities reset to random values, time 25932.00 Momenta zeroed out, time 25932.00 Velocities reset to random values, time 26016.96 Momenta zeroed out, time 26016.96 Velocities reset to random values, time 26113.23 Momenta zeroed out, time 26113.23 Velocities reset to random values, time 26190.28 Momenta zeroed out, time 26190.28 Velocities reset to random values, time 26283.63 Momenta zeroed out, time 26283.63 Velocities reset to random values, time 26373.39 Momenta zeroed out, time 26373.39 Velocities reset to random values, time 26469.08 Momenta zeroed out, time 26469.08 Velocities reset to random values, time 26564.02 Momenta zeroed out, time 26564.02 Velocities reset to random values, time 26657.48 Momenta zeroed out, time 26657.48 Velocities reset to random values, time 26742.86 Momenta zeroed out, time 26742.86 Velocities reset to random values, time 26830.28 Momenta zeroed out, time 26830.28 Velocities reset to random values, time 26924.29 Momenta zeroed out, time 26924.29 Velocities reset to random values, time 27022.85 Momenta zeroed out, time 27022.85 Velocities reset to random values, time 27110.10 Momenta zeroed out, time 27110.10 Velocities reset to random values, time 27209.76 Momenta zeroed out, time 27209.76 Velocities reset to random values, time 27298.06 Momenta zeroed out, time 27298.06 Velocities reset to random values, time 27374.13 Momenta zeroed out, time 27374.13 Velocities reset to random values, time 27467.43 Momenta zeroed out, time 27467.43 Velocities reset to random values, time 27561.79 Momenta zeroed out, time 27561.79 Velocities reset to random values, time 27658.52 Momenta zeroed out, time 27658.52 Velocities reset to random values, time 27745.39 Momenta zeroed out, time 27745.39 Velocities reset to random values, time 27827.01 Momenta zeroed out, time 27827.01 Velocities reset to random values, time 27921.31 Momenta zeroed out, time 27921.31 Velocities reset to random values, time 28007.51 Momenta zeroed out, time 28007.51 Velocities reset to random values, time 28097.92 Momenta zeroed out, time 28097.92 Velocities reset to random values, time 28194.73 Momenta zeroed out, time 28194.73 Velocities reset to random values, time 28285.39 Momenta zeroed out, time 28285.39 Velocities reset to random values, time 28379.21 Momenta zeroed out, time 28379.21 Velocities reset to random values, time 28472.85 Momenta zeroed out, time 28472.85 Velocities reset to random values, time 28561.37 Momenta zeroed out, time 28561.37 Velocities reset to random values, time 28644.17 Momenta zeroed out, time 28644.17 Velocities reset to random values, time 28737.57 Momenta zeroed out, time 28737.57 Velocities reset to random values, time 28832.60 Momenta zeroed out, time 28832.60 Velocities reset to random values, time 28925.22 Momenta zeroed out, time 28925.22 Velocities reset to random values, time 29024.97 Momenta zeroed out, time 29024.97 Velocities reset to random values, time 29116.93 Momenta zeroed out, time 29116.93 Velocities reset to random values, time 29205.69 Momenta zeroed out, time 29205.69 Velocities reset to random values, time 29302.27 Momenta zeroed out, time 29302.27 Velocities reset to random values, time 29377.90 Momenta zeroed out, time 29377.90 Velocities reset to random values, time 29468.06 Momenta zeroed out, time 29468.06 Velocities reset to random values, time 29551.03 Momenta zeroed out, time 29551.03 Velocities reset to random values, time 29631.29 Momenta zeroed out, time 29631.29 Velocities reset to random values, time 29730.54 Momenta zeroed out, time 29730.54 Velocities reset to random values, time 29826.88 Momenta zeroed out, time 29826.88 Velocities reset to random values, time 29916.72 Momenta zeroed out, time 29916.72 Velocities reset to random values, time 30005.06 Momenta zeroed out, time 30005.06 Velocities reset to random values, time 30089.78 Momenta zeroed out, time 30089.78 Velocities reset to random values, time 30172.51 Momenta zeroed out, time 30172.51 Velocities reset to random values, time 30272.51 Momenta zeroed out, time 30272.51 Velocities reset to random values, time 30366.14 Momenta zeroed out, time 30366.14 Velocities reset to random values, time 30444.01 Momenta zeroed out, time 30444.01 Velocities reset to random values, time 30534.54 Momenta zeroed out, time 30534.54 Velocities reset to random values, time 30621.33 Momenta zeroed out, time 30621.33 Velocities reset to random values, time 30718.07 Momenta zeroed out, time 30718.07 Velocities reset to random values, time 30798.00 Momenta zeroed out, time 30798.00 Velocities reset to random values, time 30882.72 Momenta zeroed out, time 30882.72 Velocities reset to random values, time 30973.67 Momenta zeroed out, time 30973.67 Velocities reset to random values, time 31069.16 Momenta zeroed out, time 31069.16 Velocities reset to random values, time 31165.23 Momenta zeroed out, time 31165.23 Velocities reset to random values, time 31264.79 Momenta zeroed out, time 31264.79 Velocities reset to random values, time 31356.09 Momenta zeroed out, time 31356.09 Velocities reset to random values, time 31456.09 Momenta zeroed out, time 31456.09 Velocities reset to random values, time 31553.30 Momenta zeroed out, time 31553.30 Velocities reset to random values, time 31651.92 Momenta zeroed out, time 31651.92 Velocities reset to random values, time 31744.03 Momenta zeroed out, time 31744.03 Velocities reset to random values, time 31841.20 Momenta zeroed out, time 31841.20 Velocities reset to random values, time 31931.31 Momenta zeroed out, time 31931.31 Velocities reset to random values, time 32027.71 Momenta zeroed out, time 32027.71 Velocities reset to random values, time 32106.67 Momenta zeroed out, time 32106.67 Velocities reset to random values, time 32200.66 Momenta zeroed out, time 32200.66 Velocities reset to random values, time 32286.43 Momenta zeroed out, time 32286.43 Velocities reset to random values, time 32374.43 Momenta zeroed out, time 32374.43 Velocities reset to random values, time 32463.28 Momenta zeroed out, time 32463.28 Velocities reset to random values, time 32557.55 Momenta zeroed out, time 32557.55 Velocities reset to random values, time 32634.47 Momenta zeroed out, time 32634.47 Velocities reset to random values, time 32719.77 Momenta zeroed out, time 32719.77 Velocities reset to random values, time 32810.29 Momenta zeroed out, time 32810.29 Velocities reset to random values, time 32906.19 Momenta zeroed out, time 32906.19 Velocities reset to random values, time 32986.79 Momenta zeroed out, time 32986.79 Velocities reset to random values, time 33072.85 Momenta zeroed out, time 33072.85 Velocities reset to random values, time 33172.54 Momenta zeroed out, time 33172.54 Velocities reset to random values, time 33249.81 Momenta zeroed out, time 33249.81 Velocities reset to random values, time 33341.72 Momenta zeroed out, time 33341.72 Velocities reset to random values, time 33431.60 Momenta zeroed out, time 33431.60 Velocities reset to random values, time 33515.01 Momenta zeroed out, time 33515.01 Velocities reset to random values, time 33614.67 Momenta zeroed out, time 33614.67 Velocities reset to random values, time 33711.91 Momenta zeroed out, time 33711.91 Velocities reset to random values, time 33795.61 Momenta zeroed out, time 33795.61 Velocities reset to random values, time 33860.99 Momenta zeroed out, time 33860.99 Velocities reset to random values, time 33954.58 Momenta zeroed out, time 33954.58 Velocities reset to random values, time 34054.58 Momenta zeroed out, time 34054.58 Velocities reset to random values, time 34140.82 Momenta zeroed out, time 34140.82 Velocities reset to random values, time 34235.08 Momenta zeroed out, time 34235.08 Velocities reset to random values, time 34325.80 Momenta zeroed out, time 34325.80 Velocities reset to random values, time 34420.37 Momenta zeroed out, time 34420.37 Velocities reset to random values, time 34507.32 Momenta zeroed out, time 34507.32 Velocities reset to random values, time 34601.94 Momenta zeroed out, time 34601.94 Velocities reset to random values, time 34679.27 Momenta zeroed out, time 34679.27 Velocities reset to random values, time 34765.28 Momenta zeroed out, time 34765.28 Velocities reset to random values, time 34830.66 Momenta zeroed out, time 34830.66 Velocities reset to random values, time 34921.00 Momenta zeroed out, time 34921.00 Velocities reset to random values, time 35008.53 Momenta zeroed out, time 35008.53 Velocities reset to random values, time 35105.36 Momenta zeroed out, time 35105.36 Velocities reset to random values, time 35197.66 Momenta zeroed out, time 35197.66 Velocities reset to random values, time 35294.41 Momenta zeroed out, time 35294.41 Velocities reset to random values, time 35386.72 Momenta zeroed out, time 35386.72 Velocities reset to random values, time 35481.31 Momenta zeroed out, time 35481.31 Velocities reset to random values, time 35568.14 Momenta zeroed out, time 35568.14 Velocities reset to random values, time 35661.96 Momenta zeroed out, time 35661.96 Velocities reset to random values, time 35753.97 Momenta zeroed out, time 35753.97 Velocities reset to random values, time 35847.66 Momenta zeroed out, time 35847.66 Velocities reset to random values, time 35939.09 Momenta zeroed out, time 35939.09 Velocities reset to random values, time 36019.21 Momenta zeroed out, time 36019.21 Velocities reset to random values, time 36119.21 Momenta zeroed out, time 36119.21 Velocities reset to random values, time 36217.11 Momenta zeroed out, time 36217.11 Velocities reset to random values, time 36310.83 Momenta zeroed out, time 36310.83 Velocities reset to random values, time 36388.77 Momenta zeroed out, time 36388.77 Velocities reset to random values, time 36480.57 Momenta zeroed out, time 36480.57 Velocities reset to random values, time 36571.89 Momenta zeroed out, time 36571.89 Velocities reset to random values, time 36666.54 Momenta zeroed out, time 36666.54 Velocities reset to random values, time 36762.90 Momenta zeroed out, time 36762.90 Velocities reset to random values, time 36855.31 Momenta zeroed out, time 36855.31 Velocities reset to random values, time 36944.41 Momenta zeroed out, time 36944.41 Velocities reset to random values, time 37037.91 Momenta zeroed out, time 37037.91 Velocities reset to random values, time 37135.23 Momenta zeroed out, time 37135.23 Velocities reset to random values, time 37234.30 Momenta zeroed out, time 37234.30 Velocities reset to random values, time 37322.02 Momenta zeroed out, time 37322.02 Velocities reset to random values, time 37414.56 Momenta zeroed out, time 37414.56 Velocities reset to random values, time 37508.46 Momenta zeroed out, time 37508.46 Velocities reset to random values, time 37602.17 Momenta zeroed out, time 37602.17 Velocities reset to random values, time 37687.71 Momenta zeroed out, time 37687.71 Velocities reset to random values, time 37786.16 Momenta zeroed out, time 37786.16 Velocities reset to random values, time 37874.23 Momenta zeroed out, time 37874.23 Velocities reset to random values, time 37960.17 Momenta zeroed out, time 37960.17 Velocities reset to random values, time 38056.97 Momenta zeroed out, time 38056.97 Velocities reset to random values, time 38144.68 Momenta zeroed out, time 38144.68 Velocities reset to random values, time 38239.18 Momenta zeroed out, time 38239.18 Velocities reset to random values, time 38315.09 Momenta zeroed out, time 38315.09 Velocities reset to random values, time 38393.93 Momenta zeroed out, time 38393.93 Velocities reset to random values, time 38479.44 Momenta zeroed out, time 38479.44 Velocities reset to random values, time 38563.18 Momenta zeroed out, time 38563.18 Velocities reset to random values, time 38655.37 Momenta zeroed out, time 38655.37 Velocities reset to random values, time 38741.43 Momenta zeroed out, time 38741.43 Velocities reset to random values, time 38819.00 Momenta zeroed out, time 38819.00 Velocities reset to random values, time 38907.76 Momenta zeroed out, time 38907.76 Velocities reset to random values, time 38996.98 Momenta zeroed out, time 38996.98 Velocities reset to random values, time 39084.85 Momenta zeroed out, time 39084.85 Velocities reset to random values, time 39180.87 Momenta zeroed out, time 39180.87 Velocities reset to random values, time 39272.41 Momenta zeroed out, time 39272.41 Velocities reset to random values, time 39370.86 Momenta zeroed out, time 39370.86 Velocities reset to random values, time 39460.72 Momenta zeroed out, time 39460.72 Velocities reset to random values, time 39556.91 Momenta zeroed out, time 39556.91 Velocities reset to random values, time 39640.07 Momenta zeroed out, time 39640.07 Velocities reset to random values, time 39731.70 Momenta zeroed out, time 39731.70 Velocities reset to random values, time 39821.52 Momenta zeroed out, time 39821.52 Velocities reset to random values, time 39910.59 Momenta zeroed out, time 39910.59 Velocities reset to random values, time 40001.02 Momenta zeroed out, time 40001.02 Velocities reset to random values, time 40093.30 Momenta zeroed out, time 40093.30 Velocities reset to random values, time 40187.72 Momenta zeroed out, time 40187.72 Velocities reset to random values, time 40282.80 Momenta zeroed out, time 40282.80 Velocities reset to random values, time 40382.80 Momenta zeroed out, time 40382.80 Velocities reset to random values, time 40472.50 Momenta zeroed out, time 40472.50 Velocities reset to random values, time 40572.50 Momenta zeroed out, time 40572.50 Velocities reset to random values, time 40662.02 Momenta zeroed out, time 40662.02 Velocities reset to random values, time 40749.53 Momenta zeroed out, time 40749.53 Velocities reset to random values, time 40828.44 Momenta zeroed out, time 40828.44 Velocities reset to random values, time 40921.02 Momenta zeroed out, time 40921.02 Velocities reset to random values, time 41010.59 Momenta zeroed out, time 41010.59 Velocities reset to random values, time 41102.84 Momenta zeroed out, time 41102.84 Velocities reset to random values, time 41194.64 Momenta zeroed out, time 41194.64 Velocities reset to random values, time 41291.01 Momenta zeroed out, time 41291.01 Velocities reset to random values, time 41385.90 Momenta zeroed out, time 41385.90 Velocities reset to random values, time 41480.14 Momenta zeroed out, time 41480.14 Velocities reset to random values, time 41573.58 Momenta zeroed out, time 41573.58 Velocities reset to random values, time 41639.97 Momenta zeroed out, time 41639.97 Velocities reset to random values, time 41737.27 Momenta zeroed out, time 41737.27 Velocities reset to random values, time 41828.32 Momenta zeroed out, time 41828.32 Velocities reset to random values, time 41916.32 Momenta zeroed out, time 41916.32 Velocities reset to random values, time 42007.39 Momenta zeroed out, time 42007.39 Velocities reset to random values, time 42096.76 Momenta zeroed out, time 42096.76 Velocities reset to random values, time 42177.63 Momenta zeroed out, time 42177.63 Velocities reset to random values, time 42264.16 Momenta zeroed out, time 42264.16 Velocities reset to random values, time 42355.22 Momenta zeroed out, time 42355.22 Velocities reset to random values, time 42452.39 Momenta zeroed out, time 42452.39 Velocities reset to random values, time 42534.59 Momenta zeroed out, time 42534.59 Velocities reset to random values, time 42627.49 Momenta zeroed out, time 42627.49 Velocities reset to random values, time 42702.05 Momenta zeroed out, time 42702.05 Velocities reset to random values, time 42786.66 Momenta zeroed out, time 42786.66 Velocities reset to random values, time 42877.93 Momenta zeroed out, time 42877.93 Velocities reset to random values, time 42959.51 Momenta zeroed out, time 42959.51 Velocities reset to random values, time 43035.82 Momenta zeroed out, time 43035.82 Velocities reset to random values, time 43121.71 Momenta zeroed out, time 43121.71 Velocities reset to random values, time 43219.51 Momenta zeroed out, time 43219.51 Velocities reset to random values, time 43319.51 Momenta zeroed out, time 43319.51 Velocities reset to random values, time 43396.36 Momenta zeroed out, time 43396.36 Velocities reset to random values, time 43495.57 Momenta zeroed out, time 43495.57 Velocities reset to random values, time 43578.00 Momenta zeroed out, time 43578.00 Velocities reset to random values, time 43669.05 Momenta zeroed out, time 43669.05 Velocities reset to random values, time 43754.93 Momenta zeroed out, time 43754.93 Velocities reset to random values, time 43848.03 Momenta zeroed out, time 43848.03 Velocities reset to random values, time 43936.26 Momenta zeroed out, time 43936.26 Velocities reset to random values, time 44018.94 Momenta zeroed out, time 44018.94 Velocities reset to random values, time 44112.28 Momenta zeroed out, time 44112.28 Velocities reset to random values, time 44196.69 Momenta zeroed out, time 44196.69 Velocities reset to random values, time 44290.60 Momenta zeroed out, time 44290.60 Velocities reset to random values, time 44377.64 Momenta zeroed out, time 44377.64 Velocities reset to random values, time 44465.37 Momenta zeroed out, time 44465.37 Velocities reset to random values, time 44563.63 Momenta zeroed out, time 44563.63 Velocities reset to random values, time 44638.85 Momenta zeroed out, time 44638.85 =================================== Timing =================================== MD calculations setup: 2.00000E-02 Energy & gradient evaluation: 1.87100E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 MD steps: 2.07390E+02 ============================ End of MD calculation =========================== ***** Computation time: 0 hours 3 minutes 27 seconds *****