-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : ala10a.inp Output file : ala10a.out_GB Sidechain potential file : ../../PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k SCp potential file : ../../PARAM/scp.parm Electrostatic potential file : ../../PARAM/electr_631Gdp.parm Cumulant coefficient file : ../../PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : ../../PARAM/torsion_631Gdp.parm Double torsional parameter file : ../../PARAM/torsion_double_631Gdp.parm Bond & inertia constant file : ../../PARAM/bond.parm Bending parameter file : ../../PARAM/thetaml.5parm Rotamer parameter file : ../../PARAM/scgauss.parm Threading database : ../../PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - serial job. ******************************************************************************** ### LAST MODIFIED 6/23/05 7:29PM by czarek ++++ Compile info ++++ Version 2.3 build 2530 compiled Fri Apr 20 12:08:24 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 -DSPLITEL... 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= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Hydrogen-bonding correlation between contact pairs of peptide groups Scaling factor of 1,4 SC-p interactions: 0.400 General scaling factor of SC-p interactions: 1.000 Energy-term weights (scaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Reference temperature for weights calculation: 300.0000000000000 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 7.475594606447614 -14.66546559980681 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 7.475594606447614 total energy 22.32649046001545 maximum acceleration 0.1248162499572100 Velocities reset to random values, time 88.88 Momenta zeroed out, time 88.88 Velocities reset to random values, time 179.21 Momenta zeroed out, time 179.21 Velocities reset to random values, time 279.03 Momenta zeroed out, time 279.03 Velocities reset to random values, time 376.96 Momenta zeroed out, time 376.96 Velocities reset to random values, time 463.20 Momenta zeroed out, time 463.20 Velocities reset to random values, time 549.28 Momenta zeroed out, time 549.28 Velocities reset to random values, time 640.60 Momenta zeroed out, time 640.60 Velocities reset to random values, time 730.22 Momenta zeroed out, time 730.22 Velocities reset to random values, time 822.00 Momenta zeroed out, time 822.00 Velocities reset to random values, time 911.15 Momenta zeroed out, time 911.15 Velocities reset to random values, time 1000.95 Momenta zeroed out, time 1000.95 Velocities reset to random values, time 1079.98 Momenta zeroed out, time 1079.98 Velocities reset to random values, time 1167.48 Momenta zeroed out, time 1167.48 Velocities reset to random values, time 1257.26 Momenta zeroed out, time 1257.26 Velocities reset to random values, time 1354.14 Momenta zeroed out, time 1354.14 Velocities reset to random values, time 1444.25 Momenta zeroed out, time 1444.25 Velocities reset to random values, time 1530.30 Momenta zeroed out, time 1530.30 Velocities reset to random values, time 1627.09 Momenta zeroed out, time 1627.09 Velocities reset to random values, time 1705.22 Momenta zeroed out, time 1705.22 Velocities reset to random values, time 1802.16 Momenta zeroed out, time 1802.16 Velocities reset to random values, time 1899.95 Momenta zeroed out, time 1899.95 Velocities reset to random values, time 1996.36 Momenta zeroed out, time 1996.36 Velocities reset to random values, time 2090.43 Momenta zeroed out, time 2090.43 Velocities reset to random values, time 2187.85 Momenta zeroed out, time 2187.85 Velocities reset to random values, time 2274.17 Momenta zeroed out, time 2274.17 Velocities reset to random values, time 2368.28 Momenta zeroed out, time 2368.28 Velocities reset to random values, time 2461.69 Momenta zeroed out, time 2461.69 Velocities reset to random values, time 2560.64 Momenta zeroed out, time 2560.64 Velocities reset to random values, time 2641.79 Momenta zeroed out, time 2641.79 Velocities reset to random values, time 2726.00 Momenta zeroed out, time 2726.00 Velocities reset to random values, time 2806.89 Momenta zeroed out, time 2806.89 Velocities reset to random values, time 2877.56 Momenta zeroed out, time 2877.56 Velocities reset to random values, time 2966.17 Momenta zeroed out, time 2966.17 Velocities reset to random values, time 3049.35 Momenta zeroed out, time 3049.35 Velocities reset to random values, time 3137.69 Momenta zeroed out, time 3137.69 Velocities reset to random values, time 3226.05 Momenta zeroed out, time 3226.05 Velocities reset to random values, time 3314.36 Momenta zeroed out, time 3314.36 Velocities reset to random values, time 3411.10 Momenta zeroed out, time 3411.10 Velocities reset to random values, time 3505.08 Momenta zeroed out, time 3505.08 Velocities reset to random values, time 3596.55 Momenta zeroed out, time 3596.55 Velocities reset to random values, time 3686.71 Momenta zeroed out, time 3686.71 Velocities reset to random values, time 3784.64 Momenta zeroed out, time 3784.64 Velocities reset to random values, time 3882.12 Momenta zeroed out, time 3882.12 Velocities reset to random values, time 3968.46 Momenta zeroed out, time 3968.46 Velocities reset to random values, time 4052.70 Momenta zeroed out, time 4052.70 Velocities reset to random values, time 4141.42 Momenta zeroed out, time 4141.42 Velocities reset to random values, time 4241.01 Momenta zeroed out, time 4241.01 Velocities reset to random values, time 4338.25 Momenta zeroed out, time 4338.25 Velocities reset to random values, time 4431.99 Momenta zeroed out, time 4431.99 Velocities reset to random values, time 4524.93 Momenta zeroed out, time 4524.93 Velocities reset to random values, time 4620.72 Momenta zeroed out, time 4620.72 Velocities reset to random values, time 4714.34 Momenta zeroed out, time 4714.34 Velocities reset to random values, time 4795.98 Momenta zeroed out, time 4795.98 Velocities reset to random values, time 4895.98 Momenta zeroed out, time 4895.98 Velocities reset to random values, time 4983.23 Momenta zeroed out, time 4983.23 Velocities reset to random values, time 5074.97 Momenta zeroed out, time 5074.97 Velocities reset to random values, time 5169.77 Momenta zeroed out, time 5169.77 Velocities reset to random values, time 5264.99 Momenta zeroed out, time 5264.99 Velocities reset to random values, time 5363.19 Momenta zeroed out, time 5363.19 Velocities reset to random values, time 5451.27 Momenta zeroed out, time 5451.27 Velocities reset to random values, time 5540.56 Momenta zeroed out, time 5540.56 Velocities reset to random values, time 5631.51 Momenta zeroed out, time 5631.51 Velocities reset to random values, time 5728.79 Momenta zeroed out, time 5728.79 Velocities reset to random values, time 5811.69 Momenta zeroed out, time 5811.69 Velocities reset to random values, time 5910.36 Momenta zeroed out, time 5910.36 Velocities reset to random values, time 6001.17 Momenta zeroed out, time 6001.17 Velocities reset to random values, time 6088.08 Momenta zeroed out, time 6088.08 Velocities reset to random values, time 6176.08 Momenta zeroed out, time 6176.08 Velocities reset to random values, time 6261.77 Momenta zeroed out, time 6261.77 Velocities reset to random values, time 6353.33 Momenta zeroed out, time 6353.33 Velocities reset to random values, time 6443.11 Momenta zeroed out, time 6443.11 Velocities reset to random values, time 6543.11 Momenta zeroed out, time 6543.11 Velocities reset to random values, time 6637.02 Momenta zeroed out, time 6637.02 Velocities reset to random values, time 6723.82 Momenta zeroed out, time 6723.82 Velocities reset to random values, time 6814.68 Momenta zeroed out, time 6814.68 Velocities reset to random values, time 6904.03 Momenta zeroed out, time 6904.03 Velocities reset to random values, time 6987.21 Momenta zeroed out, time 6987.21 Velocities reset to random values, time 7085.01 Momenta zeroed out, time 7085.01 Velocities reset to random values, time 7178.21 Momenta zeroed out, time 7178.21 Velocities reset to random values, time 7273.75 Momenta zeroed out, time 7273.75 Velocities reset to random values, time 7354.90 Momenta zeroed out, time 7354.90 Velocities reset to random values, time 7440.93 Momenta zeroed out, time 7440.93 Velocities reset to random values, time 7534.36 Momenta zeroed out, time 7534.36 Velocities reset to random values, time 7628.33 Momenta zeroed out, time 7628.33 Velocities reset to random values, time 7715.46 Momenta zeroed out, time 7715.46 Velocities reset to random values, time 7805.58 Momenta zeroed out, time 7805.58 Velocities reset to random values, time 7890.30 Momenta zeroed out, time 7890.30 Velocities reset to random values, time 7983.28 Momenta zeroed out, time 7983.28 Velocities reset to random values, time 8076.52 Momenta zeroed out, time 8076.52 Velocities reset to random values, time 8175.05 Momenta zeroed out, time 8175.05 Velocities reset to random values, time 8247.40 Momenta zeroed out, time 8247.40 Velocities reset to random values, time 8338.93 Momenta zeroed out, time 8338.93 Velocities reset to random values, time 8428.66 Momenta zeroed out, time 8428.66 Velocities reset to random values, time 8522.79 Momenta zeroed out, time 8522.79 Velocities reset to random values, time 8622.79 Momenta zeroed out, time 8622.79 Velocities reset to random values, time 8715.90 Momenta zeroed out, time 8715.90 Velocities reset to random values, time 8807.60 Momenta zeroed out, time 8807.60 Velocities reset to random values, time 8891.80 Momenta zeroed out, time 8891.80 Velocities reset to random values, time 8985.42 Momenta zeroed out, time 8985.42 Velocities reset to random values, time 9073.97 Momenta zeroed out, time 9073.97 Velocities reset to random values, time 9172.41 Momenta zeroed out, time 9172.41 Velocities reset to random values, time 9260.67 Momenta zeroed out, time 9260.67 Velocities reset to random values, time 9357.66 Momenta zeroed out, time 9357.66 Velocities reset to random values, time 9451.31 Momenta zeroed out, time 9451.31 Velocities reset to random values, time 9548.27 Momenta zeroed out, time 9548.27 Velocities reset to random values, time 9639.63 Momenta zeroed out, time 9639.63 Velocities reset to random values, time 9726.37 Momenta zeroed out, time 9726.37 Velocities reset to random values, time 9815.50 Momenta zeroed out, time 9815.50 Velocities reset to random values, time 9907.32 Momenta zeroed out, time 9907.32 Velocities reset to random values, time 9996.48 Momenta zeroed out, time 9996.48 Velocities reset to random values, time 10090.64 Momenta zeroed out, time 10090.64 Velocities reset to random values, time 10178.13 Momenta zeroed out, time 10178.13 Velocities reset to random values, time 10264.86 Momenta zeroed out, time 10264.86 Velocities reset to random values, time 10348.06 Momenta zeroed out, time 10348.06 Velocities reset to random values, time 10440.58 Momenta zeroed out, time 10440.58 Velocities reset to random values, time 10530.44 Momenta zeroed out, time 10530.44 Velocities reset to random values, time 10628.06 Momenta zeroed out, time 10628.06 Velocities reset to random values, time 10716.02 Momenta zeroed out, time 10716.02 Velocities reset to random values, time 10812.13 Momenta zeroed out, time 10812.13 Velocities reset to random values, time 10893.64 Momenta zeroed out, time 10893.64 Velocities reset to random values, time 10987.43 Momenta zeroed out, time 10987.43 Velocities reset to random values, time 11082.47 Momenta zeroed out, time 11082.47 Velocities reset to random values, time 11177.41 Momenta zeroed out, time 11177.41 Velocities reset to random values, time 11261.41 Momenta zeroed out, time 11261.41 Velocities reset to random values, time 11349.95 Momenta zeroed out, time 11349.95 Velocities reset to random values, time 11448.83 Momenta zeroed out, time 11448.83 Velocities reset to random values, time 11532.90 Momenta zeroed out, time 11532.90 Velocities reset to random values, time 11625.22 Momenta zeroed out, time 11625.22 Velocities reset to random values, time 11717.97 Momenta zeroed out, time 11717.97 Velocities reset to random values, time 11795.42 Momenta zeroed out, time 11795.42 Velocities reset to random values, time 11890.82 Momenta zeroed out, time 11890.82 Velocities reset to random values, time 11977.58 Momenta zeroed out, time 11977.58 Velocities reset to random values, time 12066.66 Momenta zeroed out, time 12066.66 Velocities reset to random values, time 12160.42 Momenta zeroed out, time 12160.42 Velocities reset to random values, time 12248.16 Momenta zeroed out, time 12248.16 Velocities reset to random values, time 12346.60 Momenta zeroed out, time 12346.60 Velocities reset to random values, time 12436.80 Momenta zeroed out, time 12436.80 Velocities reset to random values, time 12523.99 Momenta zeroed out, time 12523.99 Velocities reset to random values, time 12612.83 Momenta zeroed out, time 12612.83 Velocities reset to random values, time 12705.68 Momenta zeroed out, time 12705.68 Velocities reset to random values, time 12795.80 Momenta zeroed out, time 12795.80 Velocities reset to random values, time 12889.06 Momenta zeroed out, time 12889.06 Velocities reset to random values, time 12975.25 Momenta zeroed out, time 12975.25 Velocities reset to random values, time 13061.62 Momenta zeroed out, time 13061.62 Velocities reset to random values, time 13156.81 Momenta zeroed out, time 13156.81 Velocities reset to random values, time 13248.07 Momenta zeroed out, time 13248.07 Velocities reset to random values, time 13337.61 Momenta zeroed out, time 13337.61 Velocities reset to random values, time 13436.40 Momenta zeroed out, time 13436.40 Velocities reset to random values, time 13532.15 Momenta zeroed out, time 13532.15 Velocities reset to random values, time 13621.67 Momenta zeroed out, time 13621.67 Velocities reset to random values, time 13719.04 Momenta zeroed out, time 13719.04 Velocities reset to random values, time 13807.43 Momenta zeroed out, time 13807.43 Velocities reset to random values, time 13900.76 Momenta zeroed out, time 13900.76 Velocities reset to random values, time 13993.81 Momenta zeroed out, time 13993.81 Velocities reset to random values, time 14088.05 Momenta zeroed out, time 14088.05 Velocities reset to random values, time 14177.47 Momenta zeroed out, time 14177.47 Velocities reset to random values, time 14271.52 Momenta zeroed out, time 14271.52 Velocities reset to random values, time 14367.27 Momenta zeroed out, time 14367.27 Velocities reset to random values, time 14460.73 Momenta zeroed out, time 14460.73 Velocities reset to random values, time 14552.18 Momenta zeroed out, time 14552.18 Velocities reset to random values, time 14640.67 Momenta zeroed out, time 14640.67 Velocities reset to random values, time 14718.46 Momenta zeroed out, time 14718.46 Velocities reset to random values, time 14802.60 Momenta zeroed out, time 14802.60 Velocities reset to random values, time 14887.94 Momenta zeroed out, time 14887.94 Velocities reset to random values, time 14981.64 Momenta zeroed out, time 14981.64 Velocities reset to random values, time 15077.54 Momenta zeroed out, time 15077.54 Velocities reset to random values, time 15174.84 Momenta zeroed out, time 15174.84 Velocities reset to random values, time 15253.87 Momenta zeroed out, time 15253.87 Velocities reset to random values, time 15345.19 Momenta zeroed out, time 15345.19 Velocities reset to random values, time 15441.13 Momenta zeroed out, time 15441.13 Velocities reset to random values, time 15528.81 Momenta zeroed out, time 15528.81 Velocities reset to random values, time 15617.83 Momenta zeroed out, time 15617.83 Velocities reset to random values, time 15715.29 Momenta zeroed out, time 15715.29 Velocities reset to random values, time 15813.51 Momenta zeroed out, time 15813.51 Velocities reset to random values, time 15900.59 Momenta zeroed out, time 15900.59 Velocities reset to random values, time 15993.13 Momenta zeroed out, time 15993.13 Velocities reset to random values, time 16068.40 Momenta zeroed out, time 16068.40 Velocities reset to random values, time 16152.35 Momenta zeroed out, time 16152.35 Velocities reset to random values, time 16238.69 Momenta zeroed out, time 16238.69 Velocities reset to random values, time 16338.02 Momenta zeroed out, time 16338.02 Velocities reset to random values, time 16427.91 Momenta zeroed out, time 16427.91 Velocities reset to random values, time 16515.33 Momenta zeroed out, time 16515.33 Velocities reset to random values, time 16609.27 Momenta zeroed out, time 16609.27 Velocities reset to random values, time 16702.52 Momenta zeroed out, time 16702.52 Velocities reset to random values, time 16798.57 Momenta zeroed out, time 16798.57 Velocities reset to random values, time 16893.18 Momenta zeroed out, time 16893.18 Velocities reset to random values, time 16989.58 Momenta zeroed out, time 16989.58 Velocities reset to random values, time 17075.25 Momenta zeroed out, time 17075.25 Velocities reset to random values, time 17169.01 Momenta zeroed out, time 17169.01 Velocities reset to random values, time 17268.10 Momenta zeroed out, time 17268.10 Velocities reset to random values, time 17358.41 Momenta zeroed out, time 17358.41 Velocities reset to random values, time 17454.03 Momenta zeroed out, time 17454.03 Velocities reset to random values, time 17550.30 Momenta zeroed out, time 17550.30 Velocities reset to random values, time 17640.91 Momenta zeroed out, time 17640.91 Velocities reset to random values, time 17735.56 Momenta zeroed out, time 17735.56 Velocities reset to random values, time 17826.97 Momenta zeroed out, time 17826.97 Velocities reset to random values, time 17907.82 Momenta zeroed out, time 17907.82 Velocities reset to random values, time 18000.08 Momenta zeroed out, time 18000.08 Velocities reset to random values, time 18092.72 Momenta zeroed out, time 18092.72 Velocities reset to random values, time 18172.31 Momenta zeroed out, time 18172.31 Velocities reset to random values, time 18250.58 Momenta zeroed out, time 18250.58 Velocities reset to random values, time 18346.83 Momenta zeroed out, time 18346.83 Velocities reset to random values, time 18433.35 Momenta zeroed out, time 18433.35 Velocities reset to random values, time 18530.65 Momenta zeroed out, time 18530.65 Velocities reset to random values, time 18625.86 Momenta zeroed out, time 18625.86 Velocities reset to random values, time 18722.60 Momenta zeroed out, time 18722.60 Velocities reset to random values, time 18816.84 Momenta zeroed out, time 18816.84 Velocities reset to random values, time 18909.93 Momenta zeroed out, time 18909.93 Velocities reset to random values, time 19003.37 Momenta zeroed out, time 19003.37 Velocities reset to random values, time 19093.55 Momenta zeroed out, time 19093.55 Velocities reset to random values, time 19188.23 Momenta zeroed out, time 19188.23 Velocities reset to random values, time 19268.81 Momenta zeroed out, time 19268.81 Velocities reset to random values, time 19362.08 Momenta zeroed out, time 19362.08 Velocities reset to random values, time 19459.78 Momenta zeroed out, time 19459.78 Velocities reset to random values, time 19559.73 Momenta zeroed out, time 19559.73 Velocities reset to random values, time 19649.38 Momenta zeroed out, time 19649.38 Velocities reset to random values, time 19741.93 Momenta zeroed out, time 19741.93 Velocities reset to random values, time 19826.75 Momenta zeroed out, time 19826.75 Velocities reset to random values, time 19917.82 Momenta zeroed out, time 19917.82 Velocities reset to random values, time 20015.28 Momenta zeroed out, time 20015.28 Velocities reset to random values, time 20112.77 Momenta zeroed out, time 20112.77 Velocities reset to random values, time 20204.79 Momenta zeroed out, time 20204.79 Velocities reset to random values, time 20290.23 Momenta zeroed out, time 20290.23 Velocities reset to random values, time 20387.52 Momenta zeroed out, time 20387.52 Velocities reset to random values, time 20486.46 Momenta zeroed out, time 20486.46 Velocities reset to random values, time 20586.05 Momenta zeroed out, time 20586.05 Velocities reset to random values, time 20681.92 Momenta zeroed out, time 20681.92 Velocities reset to random values, time 20777.25 Momenta zeroed out, time 20777.25 Velocities reset to random values, time 20876.93 Momenta zeroed out, time 20876.93 Velocities reset to random values, time 20966.86 Momenta zeroed out, time 20966.86 Velocities reset to random values, time 21065.70 Momenta zeroed out, time 21065.70 Velocities reset to random values, time 21158.94 Momenta zeroed out, time 21158.94 Velocities reset to random values, time 21245.03 Momenta zeroed out, time 21245.03 Velocities reset to random values, time 21337.88 Momenta zeroed out, time 21337.88 Velocities reset to random values, time 21431.93 Momenta zeroed out, time 21431.93 Velocities reset to random values, time 21528.22 Momenta zeroed out, time 21528.22 Velocities reset to random values, time 21621.91 Momenta zeroed out, time 21621.91 Velocities reset to random values, time 21715.57 Momenta zeroed out, time 21715.57 Velocities reset to random values, time 21802.68 Momenta zeroed out, time 21802.68 Velocities reset to random values, time 21886.48 Momenta zeroed out, time 21886.48 Velocities reset to random values, time 21979.59 Momenta zeroed out, time 21979.59 Velocities reset to random values, time 22074.26 Momenta zeroed out, time 22074.26 Velocities reset to random values, time 22163.13 Momenta zeroed out, time 22163.13 Velocities reset to random values, time 22259.54 Momenta zeroed out, time 22259.54 Velocities reset to random values, time 22356.69 Momenta zeroed out, time 22356.69 Velocities reset to random values, time 22451.52 Momenta zeroed out, time 22451.52 Velocities reset to random values, time 22549.51 Momenta zeroed out, time 22549.51 Velocities reset to random values, time 22641.13 Momenta zeroed out, time 22641.13 Velocities reset to random values, time 22720.84 Momenta zeroed out, time 22720.84 Velocities reset to random values, time 22813.79 Momenta zeroed out, time 22813.79 Velocities reset to random values, time 22902.50 Momenta zeroed out, time 22902.50 Velocities reset to random values, time 22993.19 Momenta zeroed out, time 22993.19 Velocities reset to random values, time 23087.85 Momenta zeroed out, time 23087.85 Velocities reset to random values, time 23183.84 Momenta zeroed out, time 23183.84 Velocities reset to random values, time 23272.88 Momenta zeroed out, time 23272.88 Velocities reset to random values, time 23359.66 Momenta zeroed out, time 23359.66 Velocities reset to random values, time 23444.12 Momenta zeroed out, time 23444.12 Velocities reset to random values, time 23538.26 Momenta zeroed out, time 23538.26 Velocities reset to random values, time 23634.35 Momenta zeroed out, time 23634.35 Velocities reset to random values, time 23730.45 Momenta zeroed out, time 23730.45 Velocities reset to random values, time 23819.79 Momenta zeroed out, time 23819.79 Velocities reset to random values, time 23917.23 Momenta zeroed out, time 23917.23 Velocities reset to random values, time 24013.14 Momenta zeroed out, time 24013.14 Velocities reset to random values, time 24103.68 Momenta zeroed out, time 24103.68 Velocities reset to random values, time 24202.21 Momenta zeroed out, time 24202.21 Velocities reset to random values, time 24295.08 Momenta zeroed out, time 24295.08 Velocities reset to random values, time 24391.03 Momenta zeroed out, time 24391.03 Velocities reset to random values, time 24468.92 Momenta zeroed out, time 24468.92 Velocities reset to random values, time 24562.51 Momenta zeroed out, time 24562.51 Velocities reset to random values, time 24658.96 Momenta zeroed out, time 24658.96 Velocities reset to random values, time 24755.61 Momenta zeroed out, time 24755.61 Velocities reset to random values, time 24853.71 Momenta zeroed out, time 24853.71 Velocities reset to random values, time 24941.78 Momenta zeroed out, time 24941.78 Velocities reset to random values, time 25024.37 Momenta zeroed out, time 25024.37 Velocities reset to random values, time 25111.11 Momenta zeroed out, time 25111.11 Velocities reset to random values, time 25206.27 Momenta zeroed out, time 25206.27 Velocities reset to random values, time 25299.65 Momenta zeroed out, time 25299.65 Velocities reset to random values, time 25396.75 Momenta zeroed out, time 25396.75 Velocities reset to random values, time 25487.35 Momenta zeroed out, time 25487.35 Velocities reset to random values, time 25578.65 Momenta zeroed out, time 25578.65 Velocities reset to random values, time 25668.70 Momenta zeroed out, time 25668.70 Velocities reset to random values, time 25766.11 Momenta zeroed out, time 25766.11 Velocities reset to random values, time 25851.34 Momenta zeroed out, time 25851.34 Velocities reset to random values, time 25935.73 Momenta zeroed out, time 25935.73 Velocities reset to random values, time 26028.97 Momenta zeroed out, time 26028.97 Velocities reset to random values, time 26122.21 Momenta zeroed out, time 26122.21 Velocities reset to random values, time 26217.34 Momenta zeroed out, time 26217.34 Velocities reset to random values, time 26313.78 Momenta zeroed out, time 26313.78 Velocities reset to random values, time 26404.23 Momenta zeroed out, time 26404.23 Velocities reset to random values, time 26498.85 Momenta zeroed out, time 26498.85 Velocities reset to random values, time 26596.63 Momenta zeroed out, time 26596.63 Velocities reset to random values, time 26695.26 Momenta zeroed out, time 26695.26 Velocities reset to random values, time 26791.22 Momenta zeroed out, time 26791.22 Velocities reset to random values, time 26886.97 Momenta zeroed out, time 26886.97 Velocities reset to random values, time 26983.61 Momenta zeroed out, time 26983.61 Velocities reset to random values, time