1 --------------------------------------------------------------------------------
3 --------------------------------------------------------------------------------
4 Input file : 1L2Y_micro.inp
5 Output file : 1L2Y_micro.out_GB000
7 Sidechain potential file :
8 /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
9 SCp potential file : /users/aks255/newUNRES/unres/PARAM/scp.parm
10 Electrostatic potential file :
11 /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
12 Cumulant coefficient file :
13 /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
14 Torsional parameter file :
15 /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
16 Double torsional parameter file :
17 /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
18 SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
19 Bond & inertia constant file :
20 /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
21 Bending parameter file :
22 /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
23 Rotamer parameter file :
24 /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
26 /users/aks255/newUNRES/unres/PARAM/patterns.cart
27 --------------------------------------------------------------------------------
28 ********************************************************************************
29 United-residue force field calculation - parallel job.
30 ********************************************************************************
31 ### LAST MODIFIED 03/28/12 23:29 by czarek
32 ++++ Compile info ++++
34 compiled Thu Jul 5 05:49:13 2012
35 compiled by jal47@matrix.chem.cornell.edu
37 OS release: 2.6.34.9-69.fc13.x86_64
38 OS version: #1 SMP Tue May 3 09:23:03 UTC 2011
40 INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
43 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
44 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
45 FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
46 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ...
47 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
50 object = unres.o arcos.o cartprint.o chainbuild...
51 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
52 GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
53 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
54 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
55 ++++ End of compile info ++++
56 Start reading THETA_PDB
59 Potential is GB , exponents are 6 12
61 Disulfide bridge parameters:
62 S-S bridge energy: -5.50
63 d0cm: 3.78 akcm: 15.10
64 akth: 11.00 akct: 12.00
65 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
66 MPI: node= 0 iseed(4)= 0 0 -46
68 ran_num 6.422640197456531E-013
74 Time limit (min): 960.0
76 Library routine used to diagonalize matrices.
78 =========================== Parameters of the MD run ===========================
81 positions: angstrom, time: 48.9 fs
82 velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
83 energy: kcal/mol, temperature: K
85 Number of time steps: 1000000
86 Initial time step of numerical integration: 0.10000 natural units
88 Maximum acceleration threshold to reduce the time step/increase split number: 10.00000
89 Maximum predicted energy drift to reduce the timestep/increase split number: 10.00000
90 Maximum velocity threshold to reduce velocities: 20.00000
91 Frequency of property output: 10000
92 Frequency of coordinate output: 10000
93 Berendsen bath calculation
94 Temperature: 300.00000
95 Coupling constant (tau): 1.00000
96 Momenta will be reset at zero every 1000 steps
97 Velocities will be reset at random every 10000 steps
99 ============================== End of MD run setup =============================
102 Energy-term weights (unscaled):
104 WSCC= 1.000000 (SC-SC)
105 WSCP= 1.233150 (SC-p)
106 WELEC= 0.844760 (p-p electr)
107 WVDWPP= 0.231730 (p-p VDW)
108 WBOND= 1.000000 (stretching)
109 WANG= 0.629540 (bending)
110 WSCLOC= 0.105540 (SC local)
111 WTOR= 1.843160 (torsional)
112 WTORD= 1.265710 (double torsional)
113 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
114 WEL_LOC= 0.373570 (multi-body 3-rd order)
115 WCORR4= 0.192120 (multi-body 4th order)
116 WCORR5= 0.000000 (multi-body 5th order)
117 WCORR6= 0.000000 (multi-body 6th order)
118 WSCCOR= 0.000000 (back-scloc correlation)
119 WTURN3= 1.403230 (turns, 3rd order)
120 WTURN4= 0.646730 (turns, 4th order)
121 WTURN6= 0.000000 (turns, 6th order)
123 Hydrogen-bonding correlation between contact pairs of peptide groups
125 Scaling factor of 1,4 SC-p interactions: 0.400
126 General scaling factor of SC-p interactions: 1.000
128 Energy-term weights (scaled):
130 WSCC= 1.000000 (SC-SC)
131 WSCP= 1.233150 (SC-p)
132 WELEC= 0.844760 (p-p electr)
133 WVDWPP= 0.231730 (p-p VDW)
134 WBOND= 1.000000 (stretching)
135 WANG= 0.629540 (bending)
136 WSCLOC= 0.105540 (SC local)
137 WTOR= 1.843160 (torsional)
138 WTORD= 1.265710 (double torsional)
139 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
140 WEL_LOC= 0.373570 (multi-body 3-rd order)
141 WCORR4= 0.192120 (multi-body 4th order)
142 WCORR5= 0.000000 (multi-body 5th order)
143 WCORR6= 0.000000 (multi-body 6th order)
144 WSCCOR= 0.000000 (back-scloc correlatkion)
145 WTURN3= 1.403230 (turns, 3rd order)
146 WTURN4= 0.646730 (turns, 4th order)
147 WTURN6= 0.000000 (turns, 6th order)
148 Reference temperature for weights calculation: 300.000000000000
149 Parameters of the SS-bond potential:
150 D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
151 11.0000000000000 AKCT 12.0000000000000
152 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
154 EBR -5.50000000000000
155 PDB data will be read from file ../../../1L2Y.pdb
157 Backbone and SC coordinates as read from the PDB
158 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
159 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437
160 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850
161 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
162 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074
163 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853
164 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
165 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799
166 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
167 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
168 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
169 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
170 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
171 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
172 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
173 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
174 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
175 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
176 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
177 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
178 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
179 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
180 nsup= 20 nstart_sup= 2
204 Boundaries in phi angle sampling:
228 nsup= 20 nstart_sup= 2 nstart_seq= 2
229 NZ_START= 2 NZ_END= 21
231 Contact order: 0.308441558441558
232 Shifting contacts: 2 2
247 Extended chain initial geometry.
249 Geometry of the virtual chain.
250 Res d Theta Gamma Dsc Alpha Beta
251 D 1 0.000 0.000 0.000 0.000 0.000 0.000
252 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
253 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
254 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
255 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
256 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
257 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
258 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
259 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
260 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
261 GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000
262 GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000
263 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
264 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
265 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
266 GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000
267 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
268 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
269 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
270 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
271 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
272 D 22 3.800 90.000 180.000 0.000 0.000 0.000
275 ********************************************************************************
276 Processor 0: end reading molecular data.
277 ********************************************************************************
280 Mesoscopic molecular dynamics (MD) calculation.
282 ********************************************************************************
285 ====================MD calculation start====================
286 Initial velocities randomly generated
288 0 0.02267 0.06282 -0.18129 0.00000 0.00000 0.00000
289 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
290 2 -0.36014 -0.22705 -0.00171 -0.06904 -0.02446 0.24778
291 3 0.27655 0.20645 0.14150 0.26200 0.15105 0.09342
292 4 0.10834 -0.11941 0.14712 0.10330 -0.09595 0.03277
293 5 0.05798 -0.08974 0.08325 0.03879 0.02648 -0.14707
294 6 0.01211 0.16444 -0.14711 -0.01628 0.11599 -0.16511
295 7 -0.01010 -0.05513 0.03662 -0.18958 0.06429 0.04531
296 8 -0.01799 0.13439 -0.04510 0.02318 0.10657 0.03722
297 9 -0.26458 -0.01929 0.09531 -0.22533 -0.17075 -0.04594
298 10 0.14062 -0.06051 -0.18363 0.20415 -0.15549 -0.17329
299 11 -0.14145 0.13159 -0.00733 0.00000 0.00000 0.00000
300 12 0.19745 -0.24261 0.01759 0.00000 0.00000 0.00000
301 13 -0.15305 0.28008 0.07251 0.06558 0.14824 0.10057
302 14 0.11104 -0.31941 0.15684 -0.02949 -0.09688 0.05398
303 15 0.14534 0.10342 -0.23754 -0.13923 0.07952 0.07655
304 16 -0.11969 0.14757 0.15002 0.00000 0.00000 0.00000
305 17 -0.09007 -0.15856 -0.20234 -0.07955 -0.08516 -0.10245
306 18 0.24139 0.09063 0.14043 -0.02074 0.10220 0.04907
307 19 -0.14354 -0.07226 -0.29143 -0.12408 -0.06855 -0.02978
308 20 0.28536 0.09023 0.56577 0.02348 0.16297 0.19270
309 21 0.00000 0.00000 0.00000 -0.13725 -0.06434 -0.21957
310 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
311 Calling the zero-angular momentum subroutine
312 vcm right after adjustment:
313 1.837610523517500E-017 -2.960594732333751E-018 9.596410511702503E-018
316 alpha-carbon coordinates centroid coordinates
318 D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
319 ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044
320 LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795
321 TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147
322 ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530
323 GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291
324 TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994
325 LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795
326 LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786
327 ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078
328 GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000
329 GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000
330 PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456
331 SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587
332 SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587
333 GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000
334 ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767
335 PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456
336 PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456
337 PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456
338 SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587
339 D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000
341 Geometry of the virtual chain.
342 Res d Theta Gamma Dsc Alpha Beta
343 D 1 0.000 0.000 0.000 0.000 0.000 0.000
344 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
345 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
346 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
347 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
348 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
349 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
350 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
351 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
352 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
353 GLY 11 3.800 90.000 180.000 0.000 180.000 180.000
354 GLY 12 3.800 90.000 180.000 0.000 180.000 180.000
355 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
356 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
357 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
358 GLY 16 3.800 90.000 180.000 0.000 180.000 180.000
359 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
360 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
361 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
362 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
363 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
364 D 22 3.800 90.000 180.000 0.000 180.000 180.000
365 Potential energy and its components
367 Virtual-chain energies:
369 EVDW= -1.947821E+01 WEIGHT= 1.000000D+00 (SC-SC)
370 EVDW2= 2.387106E+01 WEIGHT= 1.233150D+00 (SC-p)
371 EES= -7.520330E+00 WEIGHT= 8.447600D-01 (p-p)
372 EVDWPP= -2.624923E+01 WEIGHT= 2.317300D-01 (p-p VDW)
373 ESTR= 1.118676E+02 WEIGHT= 1.000000D+00 (stretching)
374 EBE= -1.933948E+01 WEIGHT= 6.295400D-01 (bending)
375 ESC= 8.868295E+01 WEIGHT= 1.055400D-01 (SC local)
376 ETORS= 2.664535E-15 WEIGHT= 1.843160D+00 (torsional)
377 ETORSD= -2.547586E+00 WEIGHT= 1.265710D+00 (double torsional)
378 EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
379 ECORR4= -4.501075E+00 WEIGHT= 1.921200D-01 (multi-body)
380 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
381 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
382 EELLO= 2.197932E+01 WEIGHT= 3.735700D-01 (electrostatic-local)
383 ETURN3= -1.258124E+00 WEIGHT= 1.403230D+00 (turns, 3rd order)
384 ETURN4= 9.498513E+00 WEIGHT= 6.467300D-01 (turns, 4th order)
385 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
386 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
387 EDIHC= 0.000000E+00 (dihedral angle constraints)
388 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
389 UCONST= 0.000000E+00 (Constraint energy)
390 ETOT= 1.150741E+02 (total)
393 Kinetic energy 3.16218E+01
394 potential energy 1.15074E+02
395 total energy 1.46696E+02
397 maximum acceleration 4.85027E+00
399 Momenta zeroed out, time 99.90
400 Momenta zeroed out, time 199.90
401 Momenta zeroed out, time 299.90
402 Momenta zeroed out, time 399.90
403 Momenta zeroed out, time 499.90
404 Momenta zeroed out, time 599.90
405 Momenta zeroed out, time 699.90
406 Momenta zeroed out, time 799.90
407 Momenta zeroed out, time 899.90
408 Velocities reset to random values, time 999.90
409 Momenta zeroed out, time 999.90
410 Momenta zeroed out, time 1099.90
411 Momenta zeroed out, time 1199.90
412 Momenta zeroed out, time 1299.90
413 Momenta zeroed out, time 1399.90
414 Momenta zeroed out, time 1499.90
415 Momenta zeroed out, time 1599.90
416 Momenta zeroed out, time 1699.90
417 Momenta zeroed out, time 1799.90
418 Momenta zeroed out, time 1899.90
419 Velocities reset to random values, time 1999.90
420 Momenta zeroed out, time 1999.90
421 Momenta zeroed out, time 2099.90
422 Momenta zeroed out, time 2199.90
423 Momenta zeroed out, time 2299.90
424 Momenta zeroed out, time 2399.90
425 Momenta zeroed out, time 2499.90
426 Momenta zeroed out, time 2599.90
427 Momenta zeroed out, time 2699.90
428 Momenta zeroed out, time 2799.90
429 Momenta zeroed out, time 2899.90
430 Velocities reset to random values, time 2999.90
431 Momenta zeroed out, time 2999.90
432 Momenta zeroed out, time 3099.90
433 Momenta zeroed out, time 3199.90
434 Momenta zeroed out, time 3299.90
435 Momenta zeroed out, time 3399.90
436 Momenta zeroed out, time 3499.90
437 Momenta zeroed out, time 3599.90
438 Momenta zeroed out, time 3699.90
439 Momenta zeroed out, time 3799.90
440 Momenta zeroed out, time 3899.90
441 Velocities reset to random values, time 3999.90
442 Momenta zeroed out, time 3999.90
443 Momenta zeroed out, time 4099.90
444 Momenta zeroed out, time 4199.90
445 Momenta zeroed out, time 4299.90
446 Momenta zeroed out, time 4399.90
447 Momenta zeroed out, time 4499.90
448 Momenta zeroed out, time 4599.90
449 Momenta zeroed out, time 4699.90
450 Momenta zeroed out, time 4799.90
451 Momenta zeroed out, time 4899.90
452 Velocities reset to random values, time 4999.90
453 Momenta zeroed out, time 4999.90
454 Momenta zeroed out, time 5099.90
455 Momenta zeroed out, time 5199.90
456 Momenta zeroed out, time 5299.90
457 Momenta zeroed out, time 5399.90
458 Momenta zeroed out, time 5499.90
459 Momenta zeroed out, time 5599.90
460 Momenta zeroed out, time 5699.90
461 Momenta zeroed out, time 5799.90
462 Momenta zeroed out, time 5899.90
463 Velocities reset to random values, time 5999.90
464 Momenta zeroed out, time 5999.90
465 Momenta zeroed out, time 6099.90
466 Momenta zeroed out, time 6199.90
467 Momenta zeroed out, time 6299.90
468 Momenta zeroed out, time 6399.90
469 Momenta zeroed out, time 6499.90
470 Momenta zeroed out, time 6599.90
471 Momenta zeroed out, time 6699.90
472 Momenta zeroed out, time 6799.90
473 Momenta zeroed out, time 6899.90
474 Velocities reset to random values, time 6999.90
475 Momenta zeroed out, time 6999.90
476 Momenta zeroed out, time 7099.90
477 Momenta zeroed out, time 7199.90
478 Momenta zeroed out, time 7299.90
479 Momenta zeroed out, time 7399.90
480 Momenta zeroed out, time 7499.90
481 Momenta zeroed out, time 7599.90
482 Momenta zeroed out, time 7699.90
483 Momenta zeroed out, time 7799.90
484 Momenta zeroed out, time 7899.90
485 Velocities reset to random values, time 7999.90
486 Momenta zeroed out, time 7999.90
487 Momenta zeroed out, time 8099.90
488 Momenta zeroed out, time 8199.90
489 Momenta zeroed out, time 8299.90
490 Momenta zeroed out, time 8399.90
491 Momenta zeroed out, time 8499.90
492 Momenta zeroed out, time 8599.90
493 Momenta zeroed out, time 8699.90
494 Momenta zeroed out, time 8799.90
495 Momenta zeroed out, time 8899.90
496 Velocities reset to random values, time 8999.90
497 Momenta zeroed out, time 8999.90
498 Momenta zeroed out, time 9099.90
499 Momenta zeroed out, time 9199.90
500 Momenta zeroed out, time 9299.90
501 Momenta zeroed out, time 9399.90
502 Momenta zeroed out, time 9499.90
503 Momenta zeroed out, time 9599.90
504 Momenta zeroed out, time 9699.90
505 Momenta zeroed out, time 9799.90
506 Momenta zeroed out, time 9899.90
507 Velocities reset to random values, time 9999.90
508 Momenta zeroed out, time 9999.90
509 Momenta zeroed out, time 10099.90
510 Momenta zeroed out, time 10199.90
511 Momenta zeroed out, time 10299.90
512 Momenta zeroed out, time 10399.90
513 Momenta zeroed out, time 10499.90
514 Momenta zeroed out, time 10599.90
515 Momenta zeroed out, time 10699.90
516 Momenta zeroed out, time 10799.90
517 Momenta zeroed out, time 10899.90
518 Velocities reset to random values, time 10999.90
519 Momenta zeroed out, time 10999.90
520 Momenta zeroed out, time 11099.90
521 Momenta zeroed out, time 11199.90
522 Momenta zeroed out, time 11299.90
523 Momenta zeroed out, time 11399.90
524 Momenta zeroed out, time 11499.90
525 Momenta zeroed out, time 11599.90
526 Momenta zeroed out, time 11699.90
527 Momenta zeroed out, time 11799.90
528 Momenta zeroed out, time 11899.90
529 Velocities reset to random values, time 11999.90
530 Momenta zeroed out, time 11999.90
531 Momenta zeroed out, time 12099.90
532 Momenta zeroed out, time 12199.90
533 Momenta zeroed out, time 12299.90
534 Momenta zeroed out, time 12399.90
535 Momenta zeroed out, time 12499.90
536 Momenta zeroed out, time 12599.90
537 Momenta zeroed out, time 12699.90
538 Momenta zeroed out, time 12799.90
539 Momenta zeroed out, time 12899.90
540 Velocities reset to random values, time 12999.90
541 Momenta zeroed out, time 12999.90
542 Momenta zeroed out, time 13099.90
543 Momenta zeroed out, time 13199.90
544 Momenta zeroed out, time 13299.90
545 Momenta zeroed out, time 13399.90
546 Momenta zeroed out, time 13499.90
547 Momenta zeroed out, time 13599.90
548 Momenta zeroed out, time 13699.90
549 Momenta zeroed out, time 13799.90
550 Momenta zeroed out, time 13899.90
551 Velocities reset to random values, time 13999.90
552 Momenta zeroed out, time 13999.90
553 Momenta zeroed out, time 14099.90
554 Momenta zeroed out, time 14199.90
555 Momenta zeroed out, time 14299.90
556 Momenta zeroed out, time 14399.90
557 Momenta zeroed out, time 14499.90
558 Momenta zeroed out, time 14599.90
559 Momenta zeroed out, time 14699.90
560 Momenta zeroed out, time 14799.90
561 Momenta zeroed out, time 14899.90
562 Velocities reset to random values, time 14999.90
563 Momenta zeroed out, time 14999.90
564 Momenta zeroed out, time 15099.90
565 Momenta zeroed out, time 15199.90
566 Momenta zeroed out, time 15299.90
567 Momenta zeroed out, time 15399.90
568 Momenta zeroed out, time 15499.90
569 Momenta zeroed out, time 15599.90
570 Momenta zeroed out, time 15699.90
571 Momenta zeroed out, time 15799.90
572 Momenta zeroed out, time 15899.90
573 Velocities reset to random values, time 15999.90
574 Momenta zeroed out, time 15999.90
575 Momenta zeroed out, time 16099.90
576 Momenta zeroed out, time 16199.90
577 Momenta zeroed out, time 16299.90
578 Momenta zeroed out, time 16399.90
579 Momenta zeroed out, time 16499.90
580 Momenta zeroed out, time 16599.90
581 Momenta zeroed out, time 16699.90
582 Momenta zeroed out, time 16799.90
583 Momenta zeroed out, time 16899.90
584 Velocities reset to random values, time 16999.90
585 Momenta zeroed out, time 16999.90
586 Momenta zeroed out, time 17099.90
587 Momenta zeroed out, time 17199.90
588 Momenta zeroed out, time 17299.90
589 Momenta zeroed out, time 17399.90
590 Momenta zeroed out, time 17499.90
591 Momenta zeroed out, time 17599.90
592 Momenta zeroed out, time 17699.90
593 Momenta zeroed out, time 17799.90
594 Momenta zeroed out, time 17899.90
595 Velocities reset to random values, time 17999.90
596 Momenta zeroed out, time 17999.90
597 Momenta zeroed out, time 18099.90
598 Momenta zeroed out, time 18199.90
599 Momenta zeroed out, time 18299.90
600 Momenta zeroed out, time 18399.90
601 Momenta zeroed out, time 18499.90
602 Momenta zeroed out, time 18599.90
603 Momenta zeroed out, time 18699.90
604 Momenta zeroed out, time 18799.90
605 Momenta zeroed out, time 18899.90
606 Velocities reset to random values, time 18999.90
607 Momenta zeroed out, time 18999.90
608 Momenta zeroed out, time 19099.90
609 Momenta zeroed out, time 19199.90
610 Momenta zeroed out, time 19299.90
611 Momenta zeroed out, time 19399.90
612 Momenta zeroed out, time 19499.90
613 Momenta zeroed out, time 19599.90
614 Momenta zeroed out, time 19699.90
615 Momenta zeroed out, time 19799.90
616 Momenta zeroed out, time 19899.90
617 Velocities reset to random values, time 19999.90
618 Momenta zeroed out, time 19999.90
619 Momenta zeroed out, time 20099.90
620 Momenta zeroed out, time 20199.90
621 Momenta zeroed out, time 20299.90
622 Momenta zeroed out, time 20399.90
623 Momenta zeroed out, time 20499.90
624 Momenta zeroed out, time 20599.90
625 Momenta zeroed out, time 20699.90
626 Momenta zeroed out, time 20799.90
627 Momenta zeroed out, time 20899.90
628 Velocities reset to random values, time 20999.90
629 Momenta zeroed out, time 20999.90
630 Momenta zeroed out, time 21099.90
631 Momenta zeroed out, time 21199.90
632 Momenta zeroed out, time 21299.90
633 Momenta zeroed out, time 21399.90
634 Momenta zeroed out, time 21499.90
635 Momenta zeroed out, time 21599.90
636 Momenta zeroed out, time 21699.90
637 Momenta zeroed out, time 21799.90
638 Momenta zeroed out, time 21899.90
639 Velocities reset to random values, time 21999.90
640 Momenta zeroed out, time 21999.90
641 Momenta zeroed out, time 22099.90
642 Momenta zeroed out, time 22199.90
643 Momenta zeroed out, time 22299.90
644 Momenta zeroed out, time 22399.90
645 Momenta zeroed out, time 22499.90
646 Momenta zeroed out, time 22599.90
647 Momenta zeroed out, time 22699.90
648 Momenta zeroed out, time 22799.90
649 Momenta zeroed out, time 22899.90
650 Velocities reset to random values, time 22999.90
651 Momenta zeroed out, time 22999.90
652 Momenta zeroed out, time 23099.90
653 Momenta zeroed out, time 23199.90
654 Momenta zeroed out, time 23299.90
655 Momenta zeroed out, time 23399.90
656 Momenta zeroed out, time 23499.90
657 Momenta zeroed out, time 23599.90
658 Momenta zeroed out, time 23699.90
659 Momenta zeroed out, time 23799.90
660 Momenta zeroed out, time 23899.90
661 Velocities reset to random values, time 23999.90
662 Momenta zeroed out, time 23999.90
663 Momenta zeroed out, time 24099.90
664 Momenta zeroed out, time 24199.90
665 Momenta zeroed out, time 24299.90
666 Momenta zeroed out, time 24399.90
667 Momenta zeroed out, time 24499.90
668 Momenta zeroed out, time 24599.90
669 Momenta zeroed out, time 24699.90
670 Momenta zeroed out, time 24799.90
671 Momenta zeroed out, time 24899.90
672 Velocities reset to random values, time 24999.90
673 Momenta zeroed out, time 24999.90
674 Momenta zeroed out, time 25099.90
675 Momenta zeroed out, time 25199.90
676 Momenta zeroed out, time 25299.90
677 Momenta zeroed out, time 25399.90
678 Momenta zeroed out, time 25499.90
679 Momenta zeroed out, time 25599.90
680 Momenta zeroed out, time 25699.90
681 Momenta zeroed out, time 25799.90
682 Momenta zeroed out, time 25899.90
683 Velocities reset to random values, time 25999.90
684 Momenta zeroed out, time 25999.90
685 Momenta zeroed out, time 26099.90
686 Momenta zeroed out, time 26199.90
687 Momenta zeroed out, time 26299.90
688 Momenta zeroed out, time 26399.90
689 Momenta zeroed out, time 26499.90
690 Momenta zeroed out, time 26599.90
691 Momenta zeroed out, time 26699.90
692 Momenta zeroed out, time 26799.90
693 Momenta zeroed out, time 26899.90
694 Velocities reset to random values, time 26999.90
695 Momenta zeroed out, time 26999.90
696 Momenta zeroed out, time 27099.90
697 Momenta zeroed out, time 27199.90
698 Momenta zeroed out, time 27299.90
699 Momenta zeroed out, time 27399.90
700 Momenta zeroed out, time 27499.90
701 Momenta zeroed out, time 27599.90
702 Momenta zeroed out, time 27699.90
703 Momenta zeroed out, time 27799.90
704 Momenta zeroed out, time 27899.90
705 Velocities reset to random values, time 27999.90
706 Momenta zeroed out, time 27999.90
707 Momenta zeroed out, time 28099.90
708 Momenta zeroed out, time 28199.90
709 Momenta zeroed out, time 28299.90
710 Momenta zeroed out, time 28399.90
711 Momenta zeroed out, time 28499.90
712 Momenta zeroed out, time 28599.90
713 Momenta zeroed out, time 28699.90
714 Momenta zeroed out, time 28799.90
715 Momenta zeroed out, time 28899.90
716 Velocities reset to random values, time 28999.90
717 Momenta zeroed out, time 28999.90
718 Momenta zeroed out, time 29099.90
719 Momenta zeroed out, time 29199.90
720 Momenta zeroed out, time 29299.90
721 Momenta zeroed out, time 29399.90
722 Momenta zeroed out, time 29499.90
723 Momenta zeroed out, time 29599.90
724 Momenta zeroed out, time 29699.90
725 Momenta zeroed out, time 29799.90
726 Momenta zeroed out, time 29899.90
727 Velocities reset to random values, time 29999.90
728 Momenta zeroed out, time 29999.90
729 Momenta zeroed out, time 30099.90
730 Momenta zeroed out, time 30199.90
731 Momenta zeroed out, time 30299.90
732 Momenta zeroed out, time 30399.90
733 Momenta zeroed out, time 30499.90
734 Momenta zeroed out, time 30599.90
735 Momenta zeroed out, time 30699.90
736 Momenta zeroed out, time 30799.90
737 Momenta zeroed out, time 30899.90
738 Velocities reset to random values, time 30999.90
739 Momenta zeroed out, time 30999.90
740 Momenta zeroed out, time 31099.90
741 Momenta zeroed out, time 31199.90
742 Momenta zeroed out, time 31299.90
743 Momenta zeroed out, time 31399.90
744 Momenta zeroed out, time 31499.90
745 Momenta zeroed out, time 31599.90
746 Momenta zeroed out, time 31699.90
747 Momenta zeroed out, time 31799.90
748 Momenta zeroed out, time 31899.90
749 Velocities reset to random values, time 31999.90
750 Momenta zeroed out, time 31999.90
751 Momenta zeroed out, time 32099.90
752 Momenta zeroed out, time 32199.90
753 Momenta zeroed out, time 32299.90
754 Momenta zeroed out, time 32399.90
755 Momenta zeroed out, time 32499.90
756 Momenta zeroed out, time 32599.90
757 Momenta zeroed out, time 32699.90
758 Momenta zeroed out, time 32799.90
759 Momenta zeroed out, time 32899.90
760 Velocities reset to random values, time 32999.90
761 Momenta zeroed out, time 32999.90
762 Momenta zeroed out, time 33099.90
763 Momenta zeroed out, time 33199.90
764 Momenta zeroed out, time 33299.90
765 Momenta zeroed out, time 33399.90
766 Momenta zeroed out, time 33499.90
767 Momenta zeroed out, time 33599.90
768 Momenta zeroed out, time 33699.90
769 Momenta zeroed out, time 33799.90
770 Momenta zeroed out, time 33899.90
771 Velocities reset to random values, time 33999.90
772 Momenta zeroed out, time 33999.90
773 Momenta zeroed out, time 34099.90
774 Momenta zeroed out, time 34199.90
775 Momenta zeroed out, time 34299.90
776 Momenta zeroed out, time 34399.90
777 Momenta zeroed out, time 34499.90
778 Momenta zeroed out, time 34599.90
779 Momenta zeroed out, time 34699.90
780 Momenta zeroed out, time 34799.90
781 Momenta zeroed out, time 34899.90
782 Velocities reset to random values, time 34999.90
783 Momenta zeroed out, time 34999.90
784 Momenta zeroed out, time 35099.90
785 Momenta zeroed out, time 35199.90
786 Momenta zeroed out, time 35299.90
787 Momenta zeroed out, time 35399.90
788 Momenta zeroed out, time 35499.90
789 Momenta zeroed out, time 35599.90
790 Momenta zeroed out, time 35699.90
791 Momenta zeroed out, time 35799.90
792 Momenta zeroed out, time 35899.90
793 Velocities reset to random values, time 35999.90
794 Momenta zeroed out, time 35999.90
795 Momenta zeroed out, time 36099.90
796 Momenta zeroed out, time 36199.90
797 Momenta zeroed out, time 36299.90
798 Momenta zeroed out, time 36399.90
799 Momenta zeroed out, time 36499.90
800 Momenta zeroed out, time 36599.90
801 Momenta zeroed out, time 36699.90
802 Momenta zeroed out, time 36799.90
803 Momenta zeroed out, time 36899.90
804 Velocities reset to random values, time 36999.90
805 Momenta zeroed out, time 36999.90
806 Momenta zeroed out, time 37099.90
807 Momenta zeroed out, time 37199.90
808 Momenta zeroed out, time 37299.90
809 Momenta zeroed out, time 37399.90
810 Momenta zeroed out, time 37499.90
811 Momenta zeroed out, time 37599.90
812 Momenta zeroed out, time 37699.90
813 Momenta zeroed out, time 37799.90
814 Momenta zeroed out, time 37899.90
815 Velocities reset to random values, time 37999.90
816 Momenta zeroed out, time 37999.90
817 Momenta zeroed out, time 38099.90
818 Momenta zeroed out, time 38199.90
819 Momenta zeroed out, time 38299.90
820 Momenta zeroed out, time 38399.90
821 Momenta zeroed out, time 38499.90
822 Momenta zeroed out, time 38599.90
823 Momenta zeroed out, time 38699.90
824 Momenta zeroed out, time 38799.90
825 Momenta zeroed out, time 38899.90
826 Velocities reset to random values, time 38999.90
827 Momenta zeroed out, time 38999.90
828 Momenta zeroed out, time 39099.90
829 Momenta zeroed out, time 39199.90
830 Momenta zeroed out, time 39299.90
831 Momenta zeroed out, time 39399.90
832 Momenta zeroed out, time 39499.90
833 Momenta zeroed out, time 39599.90
834 Momenta zeroed out, time 39699.90
835 Momenta zeroed out, time 39799.90
836 Momenta zeroed out, time 39899.90
837 Velocities reset to random values, time 39999.90
838 Momenta zeroed out, time 39999.90
839 Momenta zeroed out, time 40099.90
840 Momenta zeroed out, time 40199.90
841 Momenta zeroed out, time 40299.90
842 Momenta zeroed out, time 40399.90
843 Momenta zeroed out, time 40499.90
844 Momenta zeroed out, time 40599.90
845 Momenta zeroed out, time 40699.90
846 Momenta zeroed out, time 40799.90
847 Momenta zeroed out, time 40899.90
848 Velocities reset to random values, time 40999.90
849 Momenta zeroed out, time 40999.90
850 Momenta zeroed out, time 41099.90
851 Momenta zeroed out, time 41199.90
852 Momenta zeroed out, time 41299.90
853 Momenta zeroed out, time 41399.90
854 Momenta zeroed out, time 41499.90
855 Momenta zeroed out, time 41599.90
856 Momenta zeroed out, time 41699.90
857 Momenta zeroed out, time 41799.90
858 Momenta zeroed out, time 41899.90
859 Velocities reset to random values, time 41999.90
860 Momenta zeroed out, time 41999.90
861 Momenta zeroed out, time 42099.90
862 Momenta zeroed out, time 42199.90
863 Momenta zeroed out, time 42299.90
864 Momenta zeroed out, time 42399.90
865 Momenta zeroed out, time 42499.90
866 Momenta zeroed out, time 42599.90
867 Momenta zeroed out, time 42699.90
868 Momenta zeroed out, time 42799.90
869 Momenta zeroed out, time 42899.90
870 Velocities reset to random values, time 42999.90
871 Momenta zeroed out, time 42999.90
872 Momenta zeroed out, time 43099.90
873 Momenta zeroed out, time 43199.90
874 Momenta zeroed out, time 43299.90
875 Momenta zeroed out, time 43399.90
876 Momenta zeroed out, time 43499.90
877 Momenta zeroed out, time 43599.90
878 Momenta zeroed out, time 43699.90
879 Momenta zeroed out, time 43799.90
880 Momenta zeroed out, time 43899.90
881 Velocities reset to random values, time 43999.90
882 Momenta zeroed out, time 43999.90
883 Momenta zeroed out, time 44099.90
884 Momenta zeroed out, time 44199.90
885 Momenta zeroed out, time 44299.90
886 Momenta zeroed out, time 44399.90
887 Momenta zeroed out, time 44499.90
888 Momenta zeroed out, time 44599.90
889 Momenta zeroed out, time 44699.90
890 Momenta zeroed out, time 44799.90
891 Momenta zeroed out, time 44899.90
892 Velocities reset to random values, time 44999.90
893 Momenta zeroed out, time 44999.90
894 Momenta zeroed out, time 45099.90
895 Momenta zeroed out, time 45199.90
896 Momenta zeroed out, time 45299.90
897 Momenta zeroed out, time 45399.90
898 Momenta zeroed out, time 45499.90
899 Momenta zeroed out, time 45599.90
900 Momenta zeroed out, time 45699.90
901 Momenta zeroed out, time 45799.90
902 Momenta zeroed out, time 45899.90
903 Velocities reset to random values, time 45999.90
904 Momenta zeroed out, time 45999.90
905 Momenta zeroed out, time 46099.90
906 Momenta zeroed out, time 46199.90
907 Momenta zeroed out, time 46299.90
908 Momenta zeroed out, time 46399.90
909 Momenta zeroed out, time 46499.90
910 Momenta zeroed out, time 46599.90
911 Momenta zeroed out, time 46699.90
912 Momenta zeroed out, time 46799.90
913 Momenta zeroed out, time 46899.90
914 Velocities reset to random values, time 46999.90
915 Momenta zeroed out, time 46999.90
916 Momenta zeroed out, time 47099.90
917 Momenta zeroed out, time 47199.90
918 Momenta zeroed out, time 47299.90
919 Momenta zeroed out, time 47399.90
920 Momenta zeroed out, time 47499.90
921 Momenta zeroed out, time 47599.90
922 Momenta zeroed out, time 47699.90
923 Momenta zeroed out, time 47799.90
924 Momenta zeroed out, time 47899.90
925 Velocities reset to random values, time 47999.90
926 Momenta zeroed out, time 47999.90
927 Momenta zeroed out, time 48099.90
928 Momenta zeroed out, time 48199.90
929 Momenta zeroed out, time 48299.90
930 Momenta zeroed out, time 48399.90
931 Momenta zeroed out, time 48499.90
932 Momenta zeroed out, time 48599.90
933 Momenta zeroed out, time 48699.90
934 Momenta zeroed out, time 48799.90
935 Momenta zeroed out, time 48899.90
936 Velocities reset to random values, time 48999.90
937 Momenta zeroed out, time 48999.90
938 Momenta zeroed out, time 49099.90
939 Momenta zeroed out, time 49199.90
940 Momenta zeroed out, time 49299.90
941 Momenta zeroed out, time 49399.90
942 Momenta zeroed out, time 49499.90
943 Momenta zeroed out, time 49599.90
944 Momenta zeroed out, time 49699.90
945 Momenta zeroed out, time 49799.90
946 Momenta zeroed out, time 49899.90
947 Velocities reset to random values, time 49999.90
948 Momenta zeroed out, time 49999.90
949 Momenta zeroed out, time 50099.90
950 Momenta zeroed out, time 50199.90
951 Momenta zeroed out, time 50299.90
952 Momenta zeroed out, time 50399.90
953 Momenta zeroed out, time 50499.90
954 Momenta zeroed out, time 50599.90
955 Momenta zeroed out, time 50699.90
956 Momenta zeroed out, time 50799.90
957 Momenta zeroed out, time 50899.90
958 Velocities reset to random values, time 50999.90
959 Momenta zeroed out, time 50999.90
960 Momenta zeroed out, time 51099.90
961 Momenta zeroed out, time 51199.90
962 Momenta zeroed out, time 51299.90
963 Momenta zeroed out, time 51399.90
964 Momenta zeroed out, time 51499.90
965 Momenta zeroed out, time 51599.90
966 Momenta zeroed out, time 51699.90
967 Momenta zeroed out, time 51799.90
968 Momenta zeroed out, time 51899.90
969 Velocities reset to random values, time 51999.90
970 Momenta zeroed out, time 51999.90
971 Momenta zeroed out, time 52099.90
972 Momenta zeroed out, time 52199.90
973 Momenta zeroed out, time 52299.90
974 Momenta zeroed out, time 52399.90
975 Momenta zeroed out, time 52499.90
976 Momenta zeroed out, time 52599.90
977 Momenta zeroed out, time 52699.90
978 Momenta zeroed out, time 52799.90
979 Momenta zeroed out, time 52899.90
980 Velocities reset to random values, time 52999.90
981 Momenta zeroed out, time 52999.90
982 Momenta zeroed out, time 53099.90
983 Momenta zeroed out, time 53199.90
984 Momenta zeroed out, time 53299.90
985 Momenta zeroed out, time 53399.90
986 Momenta zeroed out, time 53499.90
987 Momenta zeroed out, time 53599.90
988 Momenta zeroed out, time 53699.90
989 Momenta zeroed out, time 53799.90
990 Momenta zeroed out, time 53899.90
991 Velocities reset to random values, time 53999.90
992 Momenta zeroed out, time 53999.90
993 Momenta zeroed out, time 54099.90
994 Momenta zeroed out, time 54199.90
995 Momenta zeroed out, time 54299.90
996 Momenta zeroed out, time 54399.90
997 Momenta zeroed out, time 54499.90
998 Momenta zeroed out, time 54599.90
999 Momenta zeroed out, time 54699.90
1000 Momenta zeroed out, time 54799.90
1001 Momenta zeroed out, time 54899.90
1002 Velocities reset to random values, time 54999.90
1003 Momenta zeroed out, time 54999.90
1004 Momenta zeroed out, time 55099.90
1005 Momenta zeroed out, time 55199.90
1006 Momenta zeroed out, time 55299.90
1007 Momenta zeroed out, time 55399.90
1008 Momenta zeroed out, time 55499.90
1009 Momenta zeroed out, time 55599.90
1010 Momenta zeroed out, time 55699.90
1011 Momenta zeroed out, time 55799.90
1012 Momenta zeroed out, time 55899.90
1013 Velocities reset to random values, time 55999.90
1014 Momenta zeroed out, time 55999.90
1015 Momenta zeroed out, time 56099.90
1016 Momenta zeroed out, time 56199.90
1017 Momenta zeroed out, time 56299.90
1018 Momenta zeroed out, time 56399.90
1019 Momenta zeroed out, time 56499.90
1020 Momenta zeroed out, time 56599.90
1021 Momenta zeroed out, time 56699.90
1022 Momenta zeroed out, time 56799.90
1023 Momenta zeroed out, time 56899.90
1024 Velocities reset to random values, time 56999.90
1025 Momenta zeroed out, time 56999.90
1026 Momenta zeroed out, time 57099.90
1027 Momenta zeroed out, time 57199.90
1028 Momenta zeroed out, time 57299.90
1029 Momenta zeroed out, time 57399.90
1030 Momenta zeroed out, time 57499.90
1031 Momenta zeroed out, time 57599.90
1032 Momenta zeroed out, time 57699.90
1033 Momenta zeroed out, time 57799.90
1034 Momenta zeroed out, time 57899.90
1035 Velocities reset to random values, time 57999.90
1036 Momenta zeroed out, time 57999.90
1037 Momenta zeroed out, time 58099.90
1038 Momenta zeroed out, time 58199.90
1039 Momenta zeroed out, time 58299.90
1040 Momenta zeroed out, time 58399.90
1041 Momenta zeroed out, time 58499.90
1042 Momenta zeroed out, time 58599.90
1043 Momenta zeroed out, time 58699.90
1044 Momenta zeroed out, time 58799.90
1045 Momenta zeroed out, time 58899.90
1046 Velocities reset to random values, time 58999.90
1047 Momenta zeroed out, time 58999.90
1048 Momenta zeroed out, time 59099.90
1049 Momenta zeroed out, time 59199.90
1050 Momenta zeroed out, time 59299.90
1051 Momenta zeroed out, time 59399.90
1052 Momenta zeroed out, time 59499.90
1053 Momenta zeroed out, time 59599.90
1054 Momenta zeroed out, time 59699.90
1055 Momenta zeroed out, time 59799.90
1056 Momenta zeroed out, time 59899.90
1057 Velocities reset to random values, time 59999.90
1058 Momenta zeroed out, time 59999.90
1059 Momenta zeroed out, time 60099.90
1060 Momenta zeroed out, time 60199.90
1061 Momenta zeroed out, time 60299.90
1062 Momenta zeroed out, time 60399.90
1063 Momenta zeroed out, time 60499.90
1064 Momenta zeroed out, time 60599.90
1065 Momenta zeroed out, time 60699.90
1066 Momenta zeroed out, time 60799.90
1067 Momenta zeroed out, time 60899.90
1068 Velocities reset to random values, time 60999.90
1069 Momenta zeroed out, time 60999.90
1070 Momenta zeroed out, time 61099.90
1071 Momenta zeroed out, time 61199.90
1072 Momenta zeroed out, time 61299.90
1073 Momenta zeroed out, time 61399.90
1074 Momenta zeroed out, time 61499.90
1075 Momenta zeroed out, time 61599.90
1076 Momenta zeroed out, time 61699.90
1077 Momenta zeroed out, time 61799.90
1078 Momenta zeroed out, time 61899.90
1079 Velocities reset to random values, time 61999.90
1080 Momenta zeroed out, time 61999.90
1081 Momenta zeroed out, time 62099.90
1082 Momenta zeroed out, time 62199.90
1083 Momenta zeroed out, time 62299.90
1084 Momenta zeroed out, time 62399.90
1085 Momenta zeroed out, time 62499.90
1086 Momenta zeroed out, time 62599.90
1087 Momenta zeroed out, time 62699.90
1088 Momenta zeroed out, time 62799.90
1089 Momenta zeroed out, time 62899.90
1090 Velocities reset to random values, time 62999.90
1091 Momenta zeroed out, time 62999.90
1092 Momenta zeroed out, time 63099.90
1093 Momenta zeroed out, time 63199.90
1094 Momenta zeroed out, time 63299.90
1095 Momenta zeroed out, time 63399.90
1096 Momenta zeroed out, time 63499.90
1097 Momenta zeroed out, time 63599.90
1098 Momenta zeroed out, time 63699.90
1099 Momenta zeroed out, time 63799.90
1100 Momenta zeroed out, time 63899.90
1101 Velocities reset to random values, time 63999.90
1102 Momenta zeroed out, time 63999.90
1103 Momenta zeroed out, time 64099.90
1104 Momenta zeroed out, time 64199.90
1105 Momenta zeroed out, time 64299.90
1106 Momenta zeroed out, time 64399.90
1107 Momenta zeroed out, time 64499.90
1108 Momenta zeroed out, time 64599.90
1109 Momenta zeroed out, time 64699.90
1110 Momenta zeroed out, time 64799.90
1111 Momenta zeroed out, time 64899.90
1112 Velocities reset to random values, time 64999.90
1113 Momenta zeroed out, time 64999.90
1114 Momenta zeroed out, time 65099.90
1115 Momenta zeroed out, time 65199.90
1116 Momenta zeroed out, time 65299.90
1117 Momenta zeroed out, time 65399.90
1118 Momenta zeroed out, time 65499.90
1119 Momenta zeroed out, time 65599.90
1120 Momenta zeroed out, time 65699.90
1121 Momenta zeroed out, time 65799.90
1122 Momenta zeroed out, time 65899.90
1123 Velocities reset to random values, time 65999.90
1124 Momenta zeroed out, time 65999.90
1125 Momenta zeroed out, time 66099.90
1126 Momenta zeroed out, time 66199.90
1127 Momenta zeroed out, time 66299.90
1128 Momenta zeroed out, time 66399.90
1129 Momenta zeroed out, time 66499.90
1130 Momenta zeroed out, time 66599.90
1131 Momenta zeroed out, time 66699.90
1132 Momenta zeroed out, time 66799.90
1133 Momenta zeroed out, time 66899.90
1134 Velocities reset to random values, time 66999.90
1135 Momenta zeroed out, time 66999.90
1136 Momenta zeroed out, time 67099.90
1137 Momenta zeroed out, time 67199.90
1138 Momenta zeroed out, time 67299.90
1139 Momenta zeroed out, time 67399.90
1140 Momenta zeroed out, time 67499.90
1141 Momenta zeroed out, time 67599.90
1142 Momenta zeroed out, time 67699.90
1143 Momenta zeroed out, time 67799.90
1144 Momenta zeroed out, time 67899.90
1145 Velocities reset to random values, time 67999.90
1146 Momenta zeroed out, time 67999.90
1147 Momenta zeroed out, time 68099.90
1148 Momenta zeroed out, time 68199.90
1149 Momenta zeroed out, time 68299.90
1150 Momenta zeroed out, time 68399.90
1151 Momenta zeroed out, time 68499.90
1152 Momenta zeroed out, time 68599.90
1153 Momenta zeroed out, time 68699.90
1154 Momenta zeroed out, time 68799.90
1155 Momenta zeroed out, time 68899.90
1156 Velocities reset to random values, time 68999.90
1157 Momenta zeroed out, time 68999.90
1158 Momenta zeroed out, time 69099.90
1159 Momenta zeroed out, time 69199.90
1160 Momenta zeroed out, time 69299.90
1161 Momenta zeroed out, time 69399.90
1162 Momenta zeroed out, time 69499.90
1163 Momenta zeroed out, time 69599.90
1164 Momenta zeroed out, time 69699.90
1165 Momenta zeroed out, time 69799.90
1166 Momenta zeroed out, time 69899.90
1167 Velocities reset to random values, time 69999.90
1168 Momenta zeroed out, time 69999.90
1169 Momenta zeroed out, time 70099.90
1170 Momenta zeroed out, time 70199.90
1171 Momenta zeroed out, time 70299.90
1172 Momenta zeroed out, time 70399.90
1173 Momenta zeroed out, time 70499.90
1174 Momenta zeroed out, time 70599.90
1175 Momenta zeroed out, time 70699.90
1176 Momenta zeroed out, time 70799.90
1177 Momenta zeroed out, time 70899.90
1178 Velocities reset to random values, time 70999.90
1179 Momenta zeroed out, time 70999.90
1180 Momenta zeroed out, time 71099.90
1181 Momenta zeroed out, time 71199.90
1182 Momenta zeroed out, time 71299.90
1183 Momenta zeroed out, time 71399.90
1184 Momenta zeroed out, time 71499.90
1185 Momenta zeroed out, time 71599.90
1186 Momenta zeroed out, time 71699.90
1187 Momenta zeroed out, time 71799.90
1188 Momenta zeroed out, time 71899.90
1189 Velocities reset to random values, time 71999.90
1190 Momenta zeroed out, time 71999.90
1191 Momenta zeroed out, time 72099.90
1192 Momenta zeroed out, time 72199.90
1193 Momenta zeroed out, time 72299.90
1194 Momenta zeroed out, time 72399.90
1195 Momenta zeroed out, time 72499.90
1196 Momenta zeroed out, time 72599.90
1197 Momenta zeroed out, time 72699.90
1198 Momenta zeroed out, time 72799.90
1199 Momenta zeroed out, time 72899.90
1200 Velocities reset to random values, time 72999.90
1201 Momenta zeroed out, time 72999.90
1202 Momenta zeroed out, time 73099.90
1203 Momenta zeroed out, time 73199.90
1204 Momenta zeroed out, time 73299.90
1205 Momenta zeroed out, time 73399.90
1206 Momenta zeroed out, time 73499.90
1207 Momenta zeroed out, time 73599.90
1208 Momenta zeroed out, time 73699.90
1209 Momenta zeroed out, time 73799.90
1210 Momenta zeroed out, time 73899.90
1211 Velocities reset to random values, time 73999.90
1212 Momenta zeroed out, time 73999.90
1213 Momenta zeroed out, time 74099.90
1214 Momenta zeroed out, time 74199.90
1215 Momenta zeroed out, time 74299.90
1216 Momenta zeroed out, time 74399.90
1217 Momenta zeroed out, time 74499.90
1218 Momenta zeroed out, time 74599.90
1219 Momenta zeroed out, time 74699.90
1220 Momenta zeroed out, time 74799.90
1221 Momenta zeroed out, time 74899.90
1222 Velocities reset to random values, time 74999.90
1223 Momenta zeroed out, time 74999.90
1224 Momenta zeroed out, time 75099.90
1225 Momenta zeroed out, time 75199.90
1226 Momenta zeroed out, time 75299.90
1227 Momenta zeroed out, time 75399.90
1228 Momenta zeroed out, time 75499.90
1229 Momenta zeroed out, time 75599.90
1230 Momenta zeroed out, time 75699.90
1231 Momenta zeroed out, time 75799.90
1232 Momenta zeroed out, time 75899.90
1233 Velocities reset to random values, time 75999.90
1234 Momenta zeroed out, time 75999.90
1235 Momenta zeroed out, time 76099.90
1236 Momenta zeroed out, time 76199.90
1237 Momenta zeroed out, time 76299.90
1238 Momenta zeroed out, time 76399.90
1239 Momenta zeroed out, time 76499.90
1240 Momenta zeroed out, time 76599.90
1241 Momenta zeroed out, time 76699.90
1242 Momenta zeroed out, time 76799.90
1243 Momenta zeroed out, time 76899.90
1244 Velocities reset to random values, time 76999.90
1245 Momenta zeroed out, time 76999.90
1246 Momenta zeroed out, time 77099.90
1247 Momenta zeroed out, time 77199.90
1248 Momenta zeroed out, time 77299.90
1249 Momenta zeroed out, time 77399.90
1250 Momenta zeroed out, time 77499.90
1251 Momenta zeroed out, time 77599.90
1252 Momenta zeroed out, time 77699.90
1253 Momenta zeroed out, time 77799.90
1254 Momenta zeroed out, time 77899.90
1255 Velocities reset to random values, time 77999.90
1256 Momenta zeroed out, time 77999.90
1257 Momenta zeroed out, time 78099.90
1258 Momenta zeroed out, time 78199.90
1259 Momenta zeroed out, time 78299.90
1260 Momenta zeroed out, time 78399.90
1261 Momenta zeroed out, time 78499.90
1262 Momenta zeroed out, time 78599.90
1263 Momenta zeroed out, time 78699.90
1264 Momenta zeroed out, time 78799.90
1265 Momenta zeroed out, time 78899.90
1266 Velocities reset to random values, time 78999.90
1267 Momenta zeroed out, time 78999.90
1268 Momenta zeroed out, time 79099.90
1269 Momenta zeroed out, time 79199.90
1270 Momenta zeroed out, time 79299.90
1271 Momenta zeroed out, time 79399.90
1272 Momenta zeroed out, time 79499.90
1273 Momenta zeroed out, time 79599.90
1274 Momenta zeroed out, time 79699.90
1275 Momenta zeroed out, time 79799.90
1276 Momenta zeroed out, time 79899.90
1277 Velocities reset to random values, time 79999.90
1278 Momenta zeroed out, time 79999.90
1279 Momenta zeroed out, time 80099.90
1280 Momenta zeroed out, time 80199.90
1281 Momenta zeroed out, time 80299.90
1282 Momenta zeroed out, time 80399.90
1283 Momenta zeroed out, time 80499.90
1284 Momenta zeroed out, time 80599.90
1285 Momenta zeroed out, time 80699.90
1286 Momenta zeroed out, time 80799.90
1287 Momenta zeroed out, time 80899.90
1288 Velocities reset to random values, time 80999.90
1289 Momenta zeroed out, time 80999.90
1290 Momenta zeroed out, time 81099.90
1291 Momenta zeroed out, time 81199.90
1292 Momenta zeroed out, time 81299.90
1293 Momenta zeroed out, time 81399.90
1294 Momenta zeroed out, time 81499.90
1295 Momenta zeroed out, time 81599.90
1296 Momenta zeroed out, time 81699.90
1297 Momenta zeroed out, time 81799.90
1298 Momenta zeroed out, time 81899.90
1299 Velocities reset to random values, time 81999.90
1300 Momenta zeroed out, time 81999.90
1301 Momenta zeroed out, time 82099.90
1302 Momenta zeroed out, time 82199.90
1303 Momenta zeroed out, time 82299.90
1304 Momenta zeroed out, time 82399.90
1305 Momenta zeroed out, time 82499.90
1306 Momenta zeroed out, time 82599.90
1307 Momenta zeroed out, time 82699.90
1308 Momenta zeroed out, time 82799.90
1309 Momenta zeroed out, time 82899.90
1310 Velocities reset to random values, time 82999.90
1311 Momenta zeroed out, time 82999.90
1312 Momenta zeroed out, time 83099.90
1313 Momenta zeroed out, time 83199.90
1314 Momenta zeroed out, time 83299.90
1315 Momenta zeroed out, time 83399.90
1316 Momenta zeroed out, time 83499.90
1317 Momenta zeroed out, time 83599.90
1318 Momenta zeroed out, time 83699.90
1319 Momenta zeroed out, time 83799.90
1320 Momenta zeroed out, time 83899.90
1321 Velocities reset to random values, time 83999.90
1322 Momenta zeroed out, time 83999.90
1323 Momenta zeroed out, time 84099.90
1324 Momenta zeroed out, time 84199.90
1325 Momenta zeroed out, time 84299.90
1326 Momenta zeroed out, time 84399.90
1327 Momenta zeroed out, time 84499.90
1328 Momenta zeroed out, time 84599.90
1329 Momenta zeroed out, time 84699.90
1330 Momenta zeroed out, time 84799.90
1331 Momenta zeroed out, time 84899.90
1332 Velocities reset to random values, time 84999.90
1333 Momenta zeroed out, time 84999.90
1334 Momenta zeroed out, time 85099.90
1335 Momenta zeroed out, time 85199.90
1336 Momenta zeroed out, time 85299.90
1337 Momenta zeroed out, time 85399.90
1338 Momenta zeroed out, time 85499.90
1339 Momenta zeroed out, time 85599.90
1340 Momenta zeroed out, time 85699.90
1341 Momenta zeroed out, time 85799.90
1342 Momenta zeroed out, time 85899.90
1343 Velocities reset to random values, time 85999.90
1344 Momenta zeroed out, time 85999.90
1345 Momenta zeroed out, time 86099.90
1346 Momenta zeroed out, time 86199.90
1347 Momenta zeroed out, time 86299.90
1348 Momenta zeroed out, time 86399.90
1349 Momenta zeroed out, time 86499.90
1350 Momenta zeroed out, time 86599.90
1351 Momenta zeroed out, time 86699.90
1352 Momenta zeroed out, time 86799.90
1353 Momenta zeroed out, time 86899.90
1354 Velocities reset to random values, time 86999.90
1355 Momenta zeroed out, time 86999.90
1356 Momenta zeroed out, time 87099.90
1357 Momenta zeroed out, time 87199.90
1358 Momenta zeroed out, time 87299.90
1359 Momenta zeroed out, time 87399.90
1360 Momenta zeroed out, time 87499.90
1361 Momenta zeroed out, time 87599.90
1362 Momenta zeroed out, time 87699.90
1363 Momenta zeroed out, time 87799.90
1364 Momenta zeroed out, time 87899.90
1365 Velocities reset to random values, time 87999.90
1366 Momenta zeroed out, time 87999.90
1367 Momenta zeroed out, time 88099.90
1368 Momenta zeroed out, time 88199.90
1369 Momenta zeroed out, time 88299.90
1370 Momenta zeroed out, time 88399.90
1371 Momenta zeroed out, time 88499.90
1372 Momenta zeroed out, time 88599.90
1373 Momenta zeroed out, time 88699.90
1374 Momenta zeroed out, time 88799.90
1375 Momenta zeroed out, time 88899.90
1376 Velocities reset to random values, time 88999.90
1377 Momenta zeroed out, time 88999.90
1378 Momenta zeroed out, time 89099.90
1379 Momenta zeroed out, time 89199.90
1380 Momenta zeroed out, time 89299.90
1381 Momenta zeroed out, time 89399.90
1382 Momenta zeroed out, time 89499.90
1383 Momenta zeroed out, time 89599.90
1384 Momenta zeroed out, time 89699.90
1385 Momenta zeroed out, time 89799.90
1386 Momenta zeroed out, time 89899.90
1387 Velocities reset to random values, time 89999.90
1388 Momenta zeroed out, time 89999.90
1389 Momenta zeroed out, time 90099.90
1390 Momenta zeroed out, time 90199.90
1391 Momenta zeroed out, time 90299.90
1392 Momenta zeroed out, time 90399.90
1393 Momenta zeroed out, time 90499.90
1394 Momenta zeroed out, time 90599.90
1395 Momenta zeroed out, time 90699.90
1396 Momenta zeroed out, time 90799.90
1397 Momenta zeroed out, time 90899.90
1398 Velocities reset to random values, time 90999.90
1399 Momenta zeroed out, time 90999.90
1400 Momenta zeroed out, time 91099.90
1401 Momenta zeroed out, time 91199.90
1402 Momenta zeroed out, time 91299.90
1403 Momenta zeroed out, time 91399.90
1404 Momenta zeroed out, time 91499.90
1405 Momenta zeroed out, time 91599.90
1406 Momenta zeroed out, time 91699.90
1407 Momenta zeroed out, time 91799.90
1408 Momenta zeroed out, time 91899.90
1409 Velocities reset to random values, time 91999.90
1410 Momenta zeroed out, time 91999.90
1411 Momenta zeroed out, time 92099.90
1412 Momenta zeroed out, time 92199.90
1413 Momenta zeroed out, time 92299.90
1414 Momenta zeroed out, time 92399.90
1415 Momenta zeroed out, time 92499.90
1416 Momenta zeroed out, time 92599.90
1417 Momenta zeroed out, time 92699.90
1418 Momenta zeroed out, time 92799.90
1419 Momenta zeroed out, time 92899.90
1420 Velocities reset to random values, time 92999.90
1421 Momenta zeroed out, time 92999.90
1422 Momenta zeroed out, time 93099.90
1423 Momenta zeroed out, time 93199.90
1424 Momenta zeroed out, time 93299.90
1425 Momenta zeroed out, time 93399.90
1426 Momenta zeroed out, time 93499.90
1427 Momenta zeroed out, time 93599.90
1428 Momenta zeroed out, time 93699.90
1429 Momenta zeroed out, time 93799.90
1430 Momenta zeroed out, time 93899.90
1431 Velocities reset to random values, time 93999.90
1432 Momenta zeroed out, time 93999.90
1433 Momenta zeroed out, time 94099.90
1434 Momenta zeroed out, time 94199.90
1435 Momenta zeroed out, time 94299.90
1436 Momenta zeroed out, time 94399.90
1437 Momenta zeroed out, time 94499.90
1438 Momenta zeroed out, time 94599.90
1439 Momenta zeroed out, time 94699.90
1440 Momenta zeroed out, time 94799.90
1441 Momenta zeroed out, time 94899.90
1442 Velocities reset to random values, time 94999.90
1443 Momenta zeroed out, time 94999.90
1444 Momenta zeroed out, time 95099.90
1445 Momenta zeroed out, time 95199.90
1446 Momenta zeroed out, time 95299.90
1447 Momenta zeroed out, time 95399.90
1448 Momenta zeroed out, time 95499.90
1449 Momenta zeroed out, time 95599.90
1450 Momenta zeroed out, time 95699.90
1451 Momenta zeroed out, time 95799.90
1452 Momenta zeroed out, time 95899.90
1453 Velocities reset to random values, time 95999.90
1454 Momenta zeroed out, time 95999.90
1455 Momenta zeroed out, time 96099.90
1456 Momenta zeroed out, time 96199.90
1457 Momenta zeroed out, time 96299.90
1458 Momenta zeroed out, time 96399.90
1459 Momenta zeroed out, time 96499.90
1460 Momenta zeroed out, time 96599.90
1461 Momenta zeroed out, time 96699.90
1462 Momenta zeroed out, time 96799.90
1463 Momenta zeroed out, time 96899.90
1464 Velocities reset to random values, time 96999.90
1465 Momenta zeroed out, time 96999.90
1466 Momenta zeroed out, time 97099.90
1467 Momenta zeroed out, time 97199.90
1468 Momenta zeroed out, time 97299.90
1469 Momenta zeroed out, time 97399.90
1470 Momenta zeroed out, time 97499.90
1471 Momenta zeroed out, time 97599.90
1472 Momenta zeroed out, time 97699.90
1473 Momenta zeroed out, time 97799.90
1474 Momenta zeroed out, time 97899.90
1475 Velocities reset to random values, time 97999.90
1476 Momenta zeroed out, time 97999.90
1477 Momenta zeroed out, time 98099.90
1478 Momenta zeroed out, time 98199.90
1479 Momenta zeroed out, time 98299.90
1480 Momenta zeroed out, time 98399.90
1481 Momenta zeroed out, time 98499.90
1482 Momenta zeroed out, time 98599.90
1483 Momenta zeroed out, time 98699.90
1484 Momenta zeroed out, time 98799.90
1485 Momenta zeroed out, time 98899.90
1486 Velocities reset to random values, time 98999.90
1487 Momenta zeroed out, time 98999.90
1488 Momenta zeroed out, time 99099.90
1489 Momenta zeroed out, time 99199.90
1490 Momenta zeroed out, time 99299.90
1491 Momenta zeroed out, time 99399.90
1492 Momenta zeroed out, time 99499.90
1493 Momenta zeroed out, time 99599.90
1494 Momenta zeroed out, time 99699.90
1495 Momenta zeroed out, time 99799.90
1496 Momenta zeroed out, time 99899.90
1497 Velocities reset to random values, time 99999.90
1498 Momenta zeroed out, time 99999.90
1501 =================================== Timing ===================================
1503 MD calculations setup: 3.90625E-03
1504 Energy & gradient evaluation: 2.74480E+02
1505 Stochastic MD setup: 0.00000E+00
1506 Stochastic MD step setup: 0.00000E+00
1507 MD steps: 3.06910E+02
1510 ============================ End of MD calculation ===========================
1511 CG processor 0 is finishing work.
1512 Total wall clock time 309.003906250000 sec