X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_e0g%2Fala10.out_GB;fp=examples%2Funres%2FMD%2Fff_e0g%2Fala10.out_GB;h=0000000000000000000000000000000000000000;hp=24d6b2810386ed432e2900d714621afe20765a94;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/ff_e0g/ala10.out_GB b/examples/unres/MD/ff_e0g/ala10.out_GB deleted file mode 100644 index 24d6b28..0000000 --- a/examples/unres/MD/ff_e0g/ala10.out_GB +++ /dev/null @@ -1,1273 +0,0 @@ --------------------------------------------------------------------------------- - 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 *****