1 --------------------------------------------------------------------------------
3 --------------------------------------------------------------------------------
4 Input file : 1L2Y_REMD.inp
5 Output file : 1L2Y_REMD.out_GB000
7 Sidechain potential file :
8 /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
10 SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm
11 Electrostatic potential file :
12 /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
13 Cumulant coefficient file :
14 /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
15 Torsional parameter file :
16 /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
17 Double torsional parameter file :
18 /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
19 SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
20 Bond & inertia constant file : /users/pk376/unres-git/unres/PARAM/bond.parm
21 Bending parameter file :
22 /users/pk376/unres-git/unres/PARAM/thetaml.5parm
23 Rotamer parameter file :
24 /users/pk376/unres-git/unres/PARAM/scgauss.parm
26 /users/pk376/unres-git/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 Mon Jul 23 17:42:12 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 ++++
57 Potential is GB , exponents are 6 12
59 Disulfide bridge parameters:
60 S-S bridge energy: -5.50
61 d0cm: 3.78 akcm: 15.10
62 akth: 11.00 akct: 12.00
63 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
64 MPI: node= 0 iseed(4)= 0 0 -46
66 ran_num 6.422640197456531E-013
72 Time limit (min): 960.0
74 Library routine used to diagonalize matrices.
76 =========================== Parameters of the MD run ===========================
79 positions: angstrom, time: 48.9 fs
80 velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
81 energy: kcal/mol, temperature: K
83 Number of time steps: 1000000
84 Initial time step of numerical integration: 0.20000 natural units
86 A-MTS algorithm used; initial time step for fast-varying short-range forces split into 1 steps.
87 Short-range force cutoff 2.00 lambda 0.30
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 =============================
107 tlist 250.000000000000 260.000000000000 270.000000000000
108 280.000000000000 290.000000000000 300.000000000000
109 310.000000000000 320.000000000000 330.000000000000
110 340.000000000000 350.000000000000 360.000000000000
111 370.000000000000 380.000000000000 390.000000000000
116 Total number of replicas 16
118 ============================== End of REMD run setup =============================
121 Energy-term weights (unscaled):
123 WSCC= 1.352790 (SC-SC)
124 WSCP= 1.593040 (SC-p)
125 WELEC= 0.715340 (p-p electr)
126 WVDWPP= 0.113710 (p-p VDW)
127 WBOND= 1.000000 (stretching)
128 WANG= 1.138730 (bending)
129 WSCLOC= 0.162580 (SC local)
130 WTOR= 1.985990 (torsional)
131 WTORD= 1.570690 (double torsional)
132 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
133 WEL_LOC= 0.160360 (multi-body 3-rd order)
134 WCORR4= 0.428870 (multi-body 4th order)
135 WCORR5= 0.000000 (multi-body 5th order)
136 WCORR6= 0.000000 (multi-body 6th order)
137 WSCCOR= 0.000000 (back-scloc correlation)
138 WTURN3= 1.687220 (turns, 3rd order)
139 WTURN4= 0.662300 (turns, 4th order)
140 WTURN6= 0.000000 (turns, 6th order)
142 Hydrogen-bonding correlation between contact pairs of peptide groups
144 Scaling factor of 1,4 SC-p interactions: 0.400
145 General scaling factor of SC-p interactions: 1.000
147 Energy-term weights (scaled):
149 WSCC= 1.352790 (SC-SC)
150 WSCP= 1.593040 (SC-p)
151 WELEC= 0.715340 (p-p electr)
152 WVDWPP= 0.113710 (p-p VDW)
153 WBOND= 1.000000 (stretching)
154 WANG= 1.138730 (bending)
155 WSCLOC= 0.162580 (SC local)
156 WTOR= 1.985990 (torsional)
157 WTORD= 1.570690 (double torsional)
158 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
159 WEL_LOC= 0.160360 (multi-body 3-rd order)
160 WCORR4= 0.428870 (multi-body 4th order)
161 WCORR5= 0.000000 (multi-body 5th order)
162 WCORR6= 0.000000 (multi-body 6th order)
163 WSCCOR= 0.000000 (back-scloc correlatkion)
164 WTURN3= 1.687220 (turns, 3rd order)
165 WTURN4= 0.662300 (turns, 4th order)
166 WTURN6= 0.000000 (turns, 6th order)
167 Reference temperature for weights calculation: 300.000000000000
168 Parameters of the SS-bond potential:
169 D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
170 11.0000000000000 AKCT 12.0000000000000
171 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
173 EBR -5.50000000000000
174 PDB data will be read from file ../../../1L2Y.pdb
176 Backbone and SC coordinates as read from the PDB
177 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
178 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437
179 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850
180 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
181 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074
182 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853
183 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
184 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799
185 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
186 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
187 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
188 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
189 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
190 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
191 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
192 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
193 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
194 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
195 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
196 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
197 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
198 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
199 nsup= 20 nstart_sup= 2
223 Boundaries in phi angle sampling:
247 nsup= 20 nstart_sup= 2 nstart_seq= 2
248 NZ_START= 2 NZ_END= 21
250 Contact order: 0.308441558441558
251 Shifting contacts: 2 2
266 Extended chain initial geometry.
268 Geometry of the virtual chain.
269 Res d Theta Gamma Dsc Alpha Beta
270 D 1 0.000 0.000 0.000 0.000 0.000 0.000
271 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
272 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
273 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
274 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
275 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
276 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
277 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
278 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
279 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
280 GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000
281 GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000
282 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
283 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
284 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
285 GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000
286 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
287 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
288 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
289 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
290 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
291 D 22 3.800 90.000 180.000 0.000 0.000 0.000
294 ********************************************************************************
295 Processor 0: end reading molecular data.
296 ********************************************************************************
299 Replica exchange molecular dynamics (REMD) calculation.
301 ********************************************************************************
305 MREMD 16 time before 2.343750000000000E-002
307 i2rep 1 2 3 4 5 6 7 8 9 10
309 i2set 1 1 1 1 1 1 1 1 1 1
311 i,j,il,il1,i_index(i,j,il,il1)
345 REMD Temperature: 250.00000
346 ====================MD calculation start====================
347 Initial velocities randomly generated
349 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000
350 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
351 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619
352 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528
353 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991
354 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426
355 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072
356 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136
357 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398
358 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194
359 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819
360 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000
361 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000
362 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181
363 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927
364 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988
365 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000
366 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353
367 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480
368 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718
369 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591
370 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044
371 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
372 Calling the zero-angular momentum subroutine
373 vcm right after adjustment:
374 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018
377 alpha-carbon coordinates centroid coordinates
379 D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
380 ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044
381 LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795
382 TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147
383 ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530
384 GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291
385 TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994
386 LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795
387 LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786
388 ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078
389 GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000
390 GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000
391 PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456
392 SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587
393 SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587
394 GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000
395 ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767
396 PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456
397 PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456
398 PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456
399 SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587
400 D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000
402 Geometry of the virtual chain.
403 Res d Theta Gamma Dsc Alpha Beta
404 D 1 0.000 0.000 0.000 0.000 0.000 0.000
405 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
406 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
407 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
408 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
409 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
410 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
411 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
412 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
413 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
414 GLY 11 3.800 90.000 180.000 0.000 180.000 180.000
415 GLY 12 3.800 90.000 180.000 0.000 180.000 180.000
416 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
417 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
418 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
419 GLY 16 3.800 90.000 180.000 0.000 180.000 180.000
420 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
421 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
422 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
423 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
424 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
425 D 22 3.800 90.000 180.000 0.000 180.000 180.000
426 Potential energy and its components
428 Virtual-chain energies:
430 EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC)
431 EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p)
432 EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p)
433 EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW)
434 ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching)
435 EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending)
436 ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local)
437 ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional)
438 ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional)
439 EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
440 ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body)
441 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
442 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
443 EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local)
444 ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order)
445 ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order)
446 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
447 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
448 EDIHC= 0.000000E+00 (dihedral angle constraints)
449 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
450 UCONST= 0.000000E+00 (Constraint energy)
451 ETOT= 2.499553E+01 (total)
454 Kinetic energy 2.63515E+01
455 potential energy 2.49955E+01
456 total energy 5.13470E+01
458 maximum acceleration 7.10627E-01
460 Setup time 6.250000000000000E-002
461 acceleration/energy drift too large 6.01872884623843
462 20.2592193941127 split increased to 2 itime 139
464 acceleration/energy drift too large 5.27112114968694
465 24.5947094282993 split increased to 2 itime 811
467 acceleration/energy drift too large 4.11749741993015
468 10.0233573756981 split increased to 2 itime 812
470 acceleration/energy drift too large 6.78156239205624
471 46.6376162381685 split increased to 2 itime 1036
473 acceleration/energy drift too large 9.31079499697821
474 31.7226708145899 split increased to 2 itime 2891
476 acceleration/energy drift too large 6.21988967563635
477 16.7074784854902 split increased to 2 itime 3759
479 acceleration/energy drift too large 1.80361188606243
480 12.1415737284860 split increased to 2 itime 4945
482 acceleration/energy drift too large 5.12402735643209
483 29.4650551506901 split increased to 2 itime 5095
485 acceleration/energy drift too large 2.83404312115991
486 14.2652706563271 split increased to 2 itime 5279
488 acceleration/energy drift too large 3.34004923031108
489 13.9147219048335 split increased to 2 itime 5456
491 acceleration/energy drift too large 3.94199203323793
492 14.7105414366802 split increased to 2 itime 5684
494 acceleration/energy drift too large 4.58176126929386
495 18.9652642544041 split increased to 2 itime 6659
497 acceleration/energy drift too large 4.23308137134488
498 20.0605747926315 split increased to 2 itime 7737
500 acceleration/energy drift too large 5.69874662777226
501 13.1487157869994 split increased to 2 itime 8176
503 acceleration/energy drift too large 8.80799290368255
504 36.1731351413900 split increased to 2 itime 8328
506 acceleration/energy drift too large 4.83324003078720
507 10.4766940200828 split increased to 2 itime 8736
509 acceleration/energy drift too large 2.74481026144746
510 15.5635977279567 split increased to 2 itime 9154
512 Velocities reset to random values, time 1999.80
513 acceleration/energy drift too large 14.0404045922975
514 68.7798479910309 split increased to 2 itime 10160
516 acceleration/energy drift too large 1.50316818806266
517 10.5002113048853 split increased to 2 itime 10590
519 acceleration/energy drift too large 5.43166515803004
520 13.9130864336143 split increased to 2 itime 11052
522 acceleration/energy drift too large 4.18833595053208
523 22.5560767264168 split increased to 2 itime 12025
525 acceleration/energy drift too large 5.05652196479640
526 14.4921485139768 split increased to 2 itime 13325
528 acceleration/energy drift too large 4.45939796981960
529 16.5366763212833 split increased to 2 itime 15176
531 acceleration/energy drift too large 2.65463078527267
532 16.4090157418096 split increased to 2 itime 16444
534 acceleration/energy drift too large 4.83718887683354
535 14.1174528410817 split increased to 2 itime 17097
537 acceleration/energy drift too large 6.31119970893411
538 16.8460396165817 split increased to 2 itime 19697
540 acceleration/energy drift too large 4.02987312329386
541 10.3471546915559 split increased to 2 itime 19819
543 acceleration/energy drift too large 3.99202782706859
544 10.0203344095428 split increased to 2 itime 19834
546 Velocities reset to random values, time 3999.80
547 acceleration/energy drift too large 6.16108168523388
548 17.6884977232375 split increased to 2 itime 22438
550 acceleration/energy drift too large 2.32814200502473
551 10.4235372979880 split increased to 4 itime 22438
553 acceleration/energy drift too large 6.04820859670261
554 17.2116778245396 split increased to 2 itime 22949
556 acceleration/energy drift too large 9.39321822080475
557 40.3009380499136 split increased to 2 itime 24190
559 acceleration/energy drift too large 12.2349397254060
560 65.3702132086642 split increased to 2 itime 25430
562 acceleration/energy drift too large 3.56592545350488
563 18.7333147770938 split increased to 2 itime 26054
565 acceleration/energy drift too large 4.94539499627627
566 11.7236757967914 split increased to 2 itime 27422
568 acceleration/energy drift too large 6.34859604644822
569 15.8808952575016 split increased to 2 itime 28830
571 acceleration/energy drift too large 7.97849023708925
572 18.7636280341567 split increased to 2 itime 29314
574 Velocities reset to random values, time 5999.80
575 acceleration/energy drift too large 5.71322468319090
576 13.0840605575853 split increased to 2 itime 30269
578 acceleration/energy drift too large 6.08204819236797
579 11.5030063880184 split increased to 2 itime 32467
581 acceleration/energy drift too large 4.62814684819236
582 15.4269491395818 split increased to 2 itime 33071
584 acceleration/energy drift too large 4.70153961675083
585 13.2205867635956 split increased to 2 itime 37548
587 acceleration/energy drift too large 4.25311269514877
588 12.1931048233601 split increased to 2 itime 37870
590 Velocities reset to random values, time 7999.80
591 acceleration/energy drift too large 3.85720530076065
592 10.7533701949358 split increased to 2 itime 40923
594 acceleration/energy drift too large 4.70796821872959
595 10.0261038188810 split increased to 2 itime 42324
597 acceleration/energy drift too large 3.96818438961114
598 10.8885252102699 split increased to 2 itime 42612
600 acceleration/energy drift too large 4.09393162352054
601 11.5790376309746 split increased to 2 itime 43050
603 acceleration/energy drift too large 4.11712862523380
604 11.0072201435151 split increased to 2 itime 44766
606 acceleration/energy drift too large 2.35382036918792
607 13.3099228493673 split increased to 2 itime 45474
609 acceleration/energy drift too large 1.94630935135251
610 10.9177661801165 split increased to 2 itime 46476
612 acceleration/energy drift too large 2.06980925461797
613 11.8933888628329 split increased to 2 itime 47581
615 acceleration/energy drift too large 9.10461204955003
616 26.4122572834987 split increased to 2 itime 47995
618 acceleration/energy drift too large 7.65514960946350
619 16.0520658295329 split increased to 2 itime 48706
621 acceleration/energy drift too large 5.00524961909485
622 15.1658758532439 split increased to 2 itime 48825
624 Velocities reset to random values, time 9999.80
625 acceleration/energy drift too large 4.96256603098756
626 18.3691428119523 split increased to 2 itime 51876
628 acceleration/energy drift too large 6.17016796366666
629 21.0175151708704 split increased to 2 itime 53149
631 acceleration/energy drift too large 5.29951934386337
632 31.9533628880177 split increased to 2 itime 53272
634 acceleration/energy drift too large 4.68375061639108
635 12.7060473695889 split increased to 2 itime 53395
637 acceleration/energy drift too large 3.20466394431315
638 19.7717416088959 split increased to 2 itime 53446
640 acceleration/energy drift too large 4.85961281423604
641 11.0926402202715 split increased to 2 itime 54681
643 acceleration/energy drift too large 4.14153258922024
644 12.0395465482629 split increased to 2 itime 56699
646 acceleration/energy drift too large 2.72601920768183
647 12.3525016323719 split increased to 2 itime 58003
649 acceleration/energy drift too large 6.55696556129599
650 14.2429255435316 split increased to 2 itime 58834
652 Velocities reset to random values, time 11999.80
653 acceleration/energy drift too large 7.12474949730125
654 22.0427565925556 split increased to 2 itime 61766
656 acceleration/energy drift too large 4.57337960000594
657 13.0230047455612 split increased to 2 itime 61925
659 acceleration/energy drift too large 5.02909377016599
660 11.6681422766353 split increased to 2 itime 62314
662 acceleration/energy drift too large 6.35545410294304
663 13.7955727228278 split increased to 2 itime 62315
665 acceleration/energy drift too large 3.84637140197231
666 15.8731664253529 split increased to 2 itime 62390
668 acceleration/energy drift too large 7.51463114258450
669 37.0097708173328 split increased to 2 itime 62628
671 acceleration/energy drift too large 2.74527858013029
672 18.5089597227240 split increased to 2 itime 63937
674 acceleration/energy drift too large 3.02629594123442
675 15.2557094699447 split increased to 2 itime 67453
677 acceleration/energy drift too large 4.88402970109660
678 12.8773440495137 split increased to 2 itime 67756
680 Velocities reset to random values, time 13999.80
681 acceleration/energy drift too large 4.64262254089198
682 12.9253616962702 split increased to 2 itime 70092
684 acceleration/energy drift too large 6.53041013165571
685 25.3486436718531 split increased to 2 itime 70359
687 acceleration/energy drift too large 7.57807972570140
688 25.2793900559892 split increased to 2 itime 72857
690 acceleration/energy drift too large 9.29548902353072
691 42.5960306524631 split increased to 2 itime 72991
693 acceleration/energy drift too large 5.75244529897706
694 10.9510885251213 split increased to 2 itime 73642
696 acceleration/energy drift too large 11.4395965515086
697 60.0948035321383 split increased to 2 itime 74388
699 acceleration/energy drift too large 2.22631705367035
700 11.4713659959425 split increased to 2 itime 76683
702 acceleration/energy drift too large 9.84608215173027
703 34.3450966126282 split increased to 2 itime 77552
705 acceleration/energy drift too large 4.20929349125431
706 17.9775830371482 split increased to 2 itime 79436
708 acceleration/energy drift too large 4.61379006684879
709 20.2989056521177 split increased to 2 itime 79589
711 Velocities reset to random values, time 15999.80
712 acceleration/energy drift too large 5.50108596343538
713 10.6878119019872 split increased to 2 itime 80008
715 acceleration/energy drift too large 2.37118338977475
716 10.3256968971107 split increased to 2 itime 81194
718 acceleration/energy drift too large 4.31667605360844
719 15.2052353631072 split increased to 2 itime 83700
721 acceleration/energy drift too large 4.82637085599304
722 23.3381873707151 split increased to 2 itime 84232
724 acceleration/energy drift too large 4.96954630655769
725 30.7957769669266 split increased to 2 itime 84269
727 acceleration/energy drift too large 3.85455979578227
728 13.9604757007354 split increased to 2 itime 84376
730 acceleration/energy drift too large 2.67927691395306
731 12.2165085498758 split increased to 2 itime 86011
733 acceleration/energy drift too large 2.91031747948615
734 13.1206077770531 split increased to 2 itime 86348
736 acceleration/energy drift too large 6.77072466643258
737 18.4549273126829 split increased to 2 itime 88337
739 acceleration/energy drift too large 5.03953151137243
740 12.7177514592325 split increased to 2 itime 89436
742 Velocities reset to random values, time 17999.80
743 acceleration/energy drift too large 2.11777019420856
744 10.7749222926264 split increased to 2 itime 92164
746 acceleration/energy drift too large 1.90319180289364
747 10.2714078201419 split increased to 2 itime 94344
749 acceleration/energy drift too large 4.49449982744576
750 16.6526232289962 split increased to 2 itime 98465
752 Velocities reset to random values, time 19999.80
753 REMD synchro at 100000
754 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
756 REMD gather times= 40.7031250000000 0.000000000000000E+000
757 REMD writing rst time= 3.906250000000000E-003
758 REMD writing traj time= 0.000000000000000E+000
760 ACC 1 250.00000 1.00000 1
761 ACC 2 260.00000 0.00000 1
762 ACC 3 270.00000 1.00000 1
763 ACC 4 280.00000 1.00000 1
764 ACC 5 290.00000 1.00000 1
765 ACC 6 300.00000 1.00000 1
766 ACC 7 310.00000 0.00000 1
767 ACC 8 320.00000 1.00000 1
768 ACC 9 330.00000 1.00000 1
769 ACC 10 340.00000 0.00000 1
770 ACC 11 350.00000 1.00000 1
771 ACC 12 360.00000 1.00000 1
772 ACC 13 370.00000 1.00000 1
773 ACC 14 380.00000 1.00000 1
774 ACC 15 390.00000 1.00000 1
775 REMD scatter time= 0.000000000000000E+000
776 REMD exchange time= 3.906250000000000E-003
777 acceleration/energy drift too large 4.35448070508831
778 13.8446433589411 split increased to 2 itime 100323
780 acceleration/energy drift too large 9.10122520864291
781 38.0141323325797 split increased to 2 itime 103166
783 acceleration/energy drift too large 7.33321494991676
784 17.4365905621355 split increased to 2 itime 103334
786 acceleration/energy drift too large 4.03416178930275
787 14.7407403165802 split increased to 2 itime 104813
789 acceleration/energy drift too large 5.07776178961767
790 24.5089488434180 split increased to 2 itime 107051
792 acceleration/energy drift too large 5.83433628505584
793 11.0882735379548 split increased to 2 itime 107519
795 acceleration/energy drift too large 2.58209681131064
796 16.9909667876258 split increased to 2 itime 107763
798 acceleration/energy drift too large 4.83068352453098
799 17.4988377320686 split increased to 2 itime 107878
801 acceleration/energy drift too large 4.32781910400729
802 19.6525957626685 split increased to 2 itime 108393
804 acceleration/energy drift too large 4.92725474578742
805 27.3936140459521 split increased to 2 itime 108690
807 acceleration/energy drift too large 6.04694829592555
808 14.0820008455919 split increased to 2 itime 108824
810 Velocities reset to random values, time 21999.80
811 acceleration/energy drift too large 2.31334984161789
812 11.0510007802944 split increased to 2 itime 113675
814 acceleration/energy drift too large 9.08574561915987
815 36.2334279426986 split increased to 2 itime 113795
817 acceleration/energy drift too large 2.85772593867820
818 20.5985997257337 split increased to 2 itime 115172
820 acceleration/energy drift too large 5.63586016608634
821 13.3027742623851 split increased to 2 itime 115983
823 acceleration/energy drift too large 6.20811917219129
824 16.7692644070182 split increased to 2 itime 117311
826 acceleration/energy drift too large 7.62107699311359
827 30.3679961139096 split increased to 2 itime 117654
829 Velocities reset to random values, time 23999.80
830 acceleration/energy drift too large 3.13359422976402
831 16.7704903423790 split increased to 2 itime 122162
833 acceleration/energy drift too large 5.39673707607405
834 12.4650082655816 split increased to 2 itime 125438
836 acceleration/energy drift too large 5.68067325824305
837 19.5477835104925 split increased to 2 itime 125841
839 acceleration/energy drift too large 5.28867228957150
840 12.8872218727007 split increased to 2 itime 126987
842 acceleration/energy drift too large 5.23392675566275
843 15.8307586052208 split increased to 2 itime 127635
845 acceleration/energy drift too large 4.22226038060222
846 11.4869896794526 split increased to 2 itime 128683
848 Velocities reset to random values, time 25999.80
849 acceleration/energy drift too large 10.2897108060629
850 47.2655773405908 split increased to 2 itime 131897
852 acceleration/energy drift too large 4.63961305374192
853 19.7877922019811 split increased to 2 itime 132475
855 acceleration/energy drift too large 3.79191474848373
856 11.2296364330073 split increased to 2 itime 133469
858 acceleration/energy drift too large 5.55808496076198
859 13.0888388315887 split increased to 2 itime 134208
861 acceleration/energy drift too large 3.40324385673822
862 10.9946173158140 split increased to 2 itime 135224
864 acceleration/energy drift too large 2.40033467565452
865 14.5839349222692 split increased to 2 itime 135587
867 acceleration/energy drift too large 2.20051529212891
868 12.1343147458011 split increased to 2 itime 137113
870 Velocities reset to random values, time 27999.80
871 acceleration/energy drift too large 1.51243590564560
872 10.4125643397107 split increased to 2 itime 141421
874 acceleration/energy drift too large 2.24851777080701
875 12.8862673504551 split increased to 2 itime 142525
877 acceleration/energy drift too large 1.86181300710243
878 11.9943618375029 split increased to 2 itime 143745
880 acceleration/energy drift too large 3.34931468736467
881 13.1747705305961 split increased to 2 itime 144553
883 acceleration/energy drift too large 5.45961170533437
884 16.3411696913215 split increased to 2 itime 145648
886 acceleration/energy drift too large 5.03682432677429
887 13.1728740518157 split increased to 2 itime 147537
889 acceleration/energy drift too large 2.94172430796647
890 10.6658719607246 split increased to 2 itime 148657
892 Velocities reset to random values, time 29999.80
893 acceleration/energy drift too large 3.36012645724516
894 18.2415358505736 split increased to 2 itime 150136
896 acceleration/energy drift too large 4.50367798267562
897 10.9513549551997 split increased to 2 itime 152854
899 acceleration/energy drift too large 6.64432852014870
900 23.2809343576262 split increased to 2 itime 154938
902 acceleration/energy drift too large 9.68701714425696
903 27.7131509314324 split increased to 2 itime 157526
905 acceleration/energy drift too large 5.02180381636210
906 15.2005372941025 split increased to 2 itime 158091
908 acceleration/energy drift too large 9.98212667355771
909 40.9197199265875 split increased to 2 itime 158606
911 acceleration/energy drift too large 5.92400546526831
912 10.8486740550381 split increased to 2 itime 158607
914 Velocities reset to random values, time 31999.80
915 acceleration/energy drift too large 6.63677126385129
916 13.4519710405256 split increased to 2 itime 161183
918 acceleration/energy drift too large 9.02309977671454
919 43.4743141599911 split increased to 2 itime 162685
921 acceleration/energy drift too large 10.7477627647307
922 56.5206090523827 split increased to 2 itime 164614
924 acceleration/energy drift too large 4.37339566286833
925 11.9320848031680 split increased to 2 itime 164825
927 acceleration/energy drift too large 6.31903118179166
928 27.2735446963399 split increased to 2 itime 166474
930 acceleration/energy drift too large 9.56855466219324
931 41.3133616825764 split increased to 2 itime 166745
933 acceleration/energy drift too large 3.29687662847975
934 10.3954562349500 split increased to 2 itime 167046
936 acceleration/energy drift too large 9.29598597418801
937 41.1802372258857 split increased to 2 itime 167521
939 acceleration/energy drift too large 2.42206525721097
940 13.4448009896313 split increased to 2 itime 168510
942 acceleration/energy drift too large 2.55136709205292
943 15.5962530869405 split increased to 2 itime 169889
945 Velocities reset to random values, time 33999.80
946 acceleration/energy drift too large 8.83122990483117
947 22.6521215967247 split increased to 2 itime 170303
949 acceleration/energy drift too large 9.21009913786138
950 37.6561438646460 split increased to 2 itime 170521
952 acceleration/energy drift too large 3.48739909254491
953 10.1034471242695 split increased to 2 itime 171396
955 acceleration/energy drift too large 6.98696370027955
956 23.8374696957620 split increased to 2 itime 171515
958 acceleration/energy drift too large 3.35531610328897
959 10.9981633001393 split increased to 2 itime 171580
961 acceleration/energy drift too large 8.07241169933481
962 39.9957178029709 split increased to 2 itime 172646
964 acceleration/energy drift too large 3.74425066749434
965 10.7421718827410 split increased to 2 itime 173898
967 acceleration/energy drift too large 4.09077031120363
968 20.4138189459720 split increased to 2 itime 174085
970 acceleration/energy drift too large 6.26747919763318
971 19.3655660658169 split increased to 2 itime 174385
973 acceleration/energy drift too large 5.12079076084499
974 19.8211658321753 split increased to 2 itime 174408
976 acceleration/energy drift too large 11.6070059234368
977 56.7944264555530 split increased to 2 itime 174542
979 acceleration/energy drift too large 5.64271108431878
980 16.1575599927218 split increased to 2 itime 177089
982 acceleration/energy drift too large 5.92551738900429
983 26.4343943067627 split increased to 2 itime 177561
985 acceleration/energy drift too large 4.99199180829665
986 13.7084327060582 split increased to 2 itime 177843
988 acceleration/energy drift too large 4.32576336099416
989 12.1621048922766 split increased to 2 itime 178120
991 acceleration/energy drift too large 4.94170430783359
992 11.9934943440670 split increased to 2 itime 178559
994 acceleration/energy drift too large 4.63063674500056
995 15.2037357814957 split increased to 2 itime 179629
997 Velocities reset to random values, time 35999.80
998 acceleration/energy drift too large 2.40543951143176
999 13.6095987658594 split increased to 2 itime 183487
1001 acceleration/energy drift too large 7.59166874978070
1002 16.9312036859759 split increased to 2 itime 185431
1004 acceleration/energy drift too large 4.73780332337024
1005 11.9427673447535 split increased to 2 itime 189811
1007 Velocities reset to random values, time 37999.80
1008 acceleration/energy drift too large 4.51385244779712
1009 13.3188888785989 split increased to 2 itime 190291
1011 acceleration/energy drift too large 5.43517833888924
1012 13.1128761945997 split increased to 2 itime 190475
1014 acceleration/energy drift too large 6.61543911793257
1015 18.7309363335260 split increased to 2 itime 191542
1017 acceleration/energy drift too large 10.2079615199183
1018 55.0917389987583 split increased to 2 itime 191713
1020 acceleration/energy drift too large 9.54919131748580
1021 53.1830142226373 split increased to 2 itime 193417
1023 acceleration/energy drift too large 5.22498373776129
1024 13.9161593831138 split increased to 2 itime 193823
1026 acceleration/energy drift too large 4.90175789355778
1027 17.9210202820440 split increased to 2 itime 195121
1029 acceleration/energy drift too large 5.02477140817033
1030 15.0376588234653 split increased to 2 itime 195906
1032 acceleration/energy drift too large 7.29923138334724
1033 23.1812204832951 split increased to 2 itime 195965
1035 acceleration/energy drift too large 5.71234101740440
1036 28.1120096098226 split increased to 2 itime 196182
1038 Velocities reset to random values, time 39999.80
1039 REMD synchro at 200000
1040 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1042 REMD gather times= 81.4960937500000 0.000000000000000E+000
1043 REMD writing rst time= 3.906250000000000E-003
1044 REMD writing traj time= 0.000000000000000E+000
1046 ACC 1 250.00000 0.50000 2
1047 ACC 2 260.00000 0.00000 2
1048 ACC 3 270.00000 1.00000 2
1049 ACC 4 280.00000 0.50000 2
1050 ACC 5 290.00000 1.00000 2
1051 ACC 6 300.00000 1.00000 2
1052 ACC 7 310.00000 0.00000 2
1053 ACC 8 320.00000 1.00000 2
1054 ACC 9 330.00000 1.00000 2
1055 ACC 10 340.00000 0.50000 2
1056 ACC 11 350.00000 0.50000 2
1057 ACC 12 360.00000 1.00000 2
1058 ACC 13 370.00000 1.00000 2
1059 ACC 14 380.00000 1.00000 2
1060 ACC 15 390.00000 1.00000 2
1061 REMD scatter time= 3.906250000000000E-003
1062 REMD exchange time= 7.812500000000000E-003
1063 acceleration/energy drift too large 3.64029108679463
1064 11.5808204189943 split increased to 2 itime 200127
1066 acceleration/energy drift too large 7.84893539743313
1067 20.2866410836206 split increased to 2 itime 200971
1069 acceleration/energy drift too large 8.61828598982526
1070 31.2234501134643 split increased to 2 itime 200991
1072 acceleration/energy drift too large 3.90898684769792
1073 12.8182943612382 split increased to 2 itime 201106
1075 acceleration/energy drift too large 4.99620821795401
1076 31.4141118797693 split increased to 2 itime 202501
1078 acceleration/energy drift too large 4.11614735585937
1079 12.1594147833547 split increased to 2 itime 203548
1081 acceleration/energy drift too large 8.21142321791518
1082 27.3137190575929 split increased to 2 itime 203955
1084 acceleration/energy drift too large 4.08842412054590
1085 11.4467897768593 split increased to 2 itime 204624
1087 acceleration/energy drift too large 2.91511126819742
1088 10.4004748089627 split increased to 2 itime 204625
1090 acceleration/energy drift too large 7.97609970177051
1091 17.0341262811947 split increased to 2 itime 206420
1093 acceleration/energy drift too large 3.93332263000041
1094 10.8824839165261 split increased to 2 itime 206962
1096 acceleration/energy drift too large 2.11294819353670
1097 14.7854318315743 split increased to 2 itime 207256
1099 acceleration/energy drift too large 4.44706169021173
1100 14.5530567176186 split increased to 2 itime 208568
1102 acceleration/energy drift too large 5.01020364970164
1103 12.6036747656131 split increased to 2 itime 208643
1105 Velocities reset to random values, time 41999.80
1106 acceleration/energy drift too large 5.78150176725295
1107 33.3137796486345 split increased to 2 itime 212347
1109 acceleration/energy drift too large 2.48833566613545
1110 10.2949905328240 split increased to 2 itime 214105
1112 acceleration/energy drift too large 3.64618927235946
1113 18.7503821421103 split increased to 2 itime 214302
1115 acceleration/energy drift too large 3.07400599095336
1116 11.3383323166579 split increased to 2 itime 215814
1118 acceleration/energy drift too large 4.42973008487847
1119 20.3411262897984 split increased to 2 itime 216252
1121 acceleration/energy drift too large 5.62920671173806
1122 32.2983009905205 split increased to 2 itime 218037
1124 acceleration/energy drift too large 5.45527892756425
1125 21.9773808882954 split increased to 2 itime 219345
1127 acceleration/energy drift too large 4.15721010187859
1128 20.5697747905902 split increased to 2 itime 219966
1130 acceleration/energy drift too large 5.33603019769579
1131 30.3679010229435 split increased to 2 itime 219983
1133 Velocities reset to random values, time 43999.80
1134 acceleration/energy drift too large 7.86255698363788
1135 24.2910471349705 split increased to 2 itime 221224
1137 acceleration/energy drift too large 4.63244311550015
1138 18.0541134191384 split increased to 2 itime 221403
1140 acceleration/energy drift too large 13.1527124335790
1141 77.1748219974411 split increased to 2 itime 222333
1143 acceleration/energy drift too large 2.56016933409559
1144 17.6552737911425 split increased to 2 itime 222334
1146 acceleration/energy drift too large 7.40887283834941
1147 30.7362315013208 split increased to 2 itime 222409
1149 acceleration/energy drift too large 3.83870075950039
1150 13.5024094254713 split increased to 2 itime 222526
1152 acceleration/energy drift too large 2.97288409075136
1153 12.0415711331916 split increased to 2 itime 223341
1155 acceleration/energy drift too large 4.83229449875740
1156 21.6789948138393 split increased to 2 itime 223849
1158 acceleration/energy drift too large 6.29460704954891
1159 45.4627654416730 split increased to 2 itime 224172
1161 acceleration/energy drift too large 4.41765622249369
1162 11.2907156327815 split increased to 2 itime 225102
1164 acceleration/energy drift too large 4.17195687990816
1165 16.4423114033335 split increased to 2 itime 225108
1167 acceleration/energy drift too large 4.97740142086614
1168 10.4943627686938 split increased to 2 itime 228677
1170 Velocities reset to random values, time 45999.80
1171 acceleration/energy drift too large 4.27127350688728
1172 16.0133778665926 split increased to 2 itime 230839
1174 acceleration/energy drift too large 3.84238305207740
1175 15.3160425709751 split increased to 2 itime 233269
1177 acceleration/energy drift too large 5.96490424978640
1178 35.8849072535118 split increased to 2 itime 233417
1180 acceleration/energy drift too large 0.969965490275774
1181 15.0758079154002 split increased to 2 itime 233418
1183 acceleration/energy drift too large 7.37427950936088
1184 53.9441579641732 split increased to 2 itime 233886
1186 acceleration/energy drift too large 9.41795446120100
1187 46.6923483267551 split increased to 2 itime 234145
1189 acceleration/energy drift too large 5.72509711572049
1190 31.9842401234587 split increased to 2 itime 234299
1192 acceleration/energy drift too large 5.04462270994681
1193 11.9549114696995 split increased to 2 itime 236561
1195 acceleration/energy drift too large 4.77591180817061
1196 15.8503289913584 split increased to 2 itime 236970
1198 acceleration/energy drift too large 9.56031823597878
1199 38.5355027802804 split increased to 2 itime 237148
1201 acceleration/energy drift too large 2.55298889382046
1202 10.1810238981961 split increased to 4 itime 237148
1204 acceleration/energy drift too large 5.07272249032121
1205 16.1665416130016 split increased to 2 itime 237638
1207 acceleration/energy drift too large 5.27519412971984
1208 24.3386506952302 split increased to 2 itime 237641
1210 acceleration/energy drift too large 3.76916747155580
1211 19.3249777140934 split increased to 2 itime 238007
1213 acceleration/energy drift too large 9.50976115289862
1214 35.9477138344235 split increased to 2 itime 238272
1216 acceleration/energy drift too large 8.52032923205173
1217 36.0891822567616 split increased to 2 itime 238339
1219 acceleration/energy drift too large 4.37531723947444
1220 28.2163048638802 split increased to 2 itime 238549
1222 acceleration/energy drift too large 5.83050845840029
1223 62.0343502726120 split increased to 2 itime 238652
1225 acceleration/energy drift too large 2.94147085871858
1226 18.3006940499288 split increased to 2 itime 238653
1228 acceleration/energy drift too large 5.10273834765773
1229 13.3326960926028 split increased to 2 itime 238936
1231 acceleration/energy drift too large 4.23402871458675
1232 18.9050545180794 split increased to 2 itime 239782
1234 Velocities reset to random values, time 47999.80
1235 acceleration/energy drift too large 3.23999938998729
1236 12.9551205421106 split increased to 2 itime 240340
1238 acceleration/energy drift too large 11.2944817033609
1239 62.9989006860680 split increased to 2 itime 240342
1241 acceleration/energy drift too large 3.60501336178358
1242 11.5827695216757 split increased to 2 itime 240549
1244 acceleration/energy drift too large 8.24479107287119
1245 24.3249867142891 split increased to 2 itime 240788
1247 acceleration/energy drift too large 5.78210270383508
1248 16.4390937845794 split increased to 2 itime 241766
1250 acceleration/energy drift too large 5.38095702852528
1251 30.8541250240317 split increased to 2 itime 242631
1253 acceleration/energy drift too large 3.17985646556209
1254 10.6175984679630 split increased to 2 itime 242632
1256 acceleration/energy drift too large 5.61402658474446
1257 29.2120104128018 split increased to 2 itime 242875
1259 acceleration/energy drift too large 4.43724922702687
1260 22.4636384195783 split increased to 2 itime 246160
1262 acceleration/energy drift too large 8.81223496649992
1263 108.925008665967 split increased to 2 itime 246191
1265 acceleration/energy drift too large 7.98152961526920
1266 30.4264224879624 split increased to 2 itime 247522
1268 Velocities reset to random values, time 49999.80
1269 acceleration/energy drift too large 5.05546510683783
1270 15.9312413868997 split increased to 2 itime 250021
1272 acceleration/energy drift too large 4.52138789692115
1273 19.8559420953666 split increased to 2 itime 250499
1275 acceleration/energy drift too large 9.60363704417643
1276 41.0002241451348 split increased to 2 itime 250515
1278 acceleration/energy drift too large 6.81843958352194
1279 61.9698421949207 split increased to 2 itime 251527
1281 acceleration/energy drift too large 5.01191955199218
1282 18.1865685157832 split increased to 2 itime 251799
1284 acceleration/energy drift too large 7.14483123137104
1285 20.7932850361492 split increased to 2 itime 252226
1287 acceleration/energy drift too large 5.31798110030693
1288 31.6961813232419 split increased to 2 itime 252461
1290 acceleration/energy drift too large 4.15365906319537
1291 12.2946056996686 split increased to 2 itime 252486
1293 acceleration/energy drift too large 3.61167752280191
1294 10.1913311809426 split increased to 2 itime 252748
1296 acceleration/energy drift too large 4.40362732277444
1297 11.6782656860820 split increased to 2 itime 253114
1299 acceleration/energy drift too large 6.18158963135055
1300 46.7178019167412 split increased to 2 itime 253512
1302 acceleration/energy drift too large 5.03393247180098
1303 11.3332578439481 split increased to 2 itime 253844
1305 acceleration/energy drift too large 5.30979425206005
1306 29.1936964522308 split increased to 2 itime 254633
1308 acceleration/energy drift too large 3.19686669697974
1309 12.9021212289249 split increased to 2 itime 254634
1311 acceleration/energy drift too large 4.79260254924054
1312 28.5667905576579 split increased to 2 itime 255478
1314 acceleration/energy drift too large 4.65602354960583
1315 17.7759492210056 split increased to 2 itime 255953
1317 acceleration/energy drift too large 11.3169090224622
1318 161.243959808749 split increased to 2 itime 257193
1320 acceleration/energy drift too large 8.06907814347340
1321 32.2475694627116 split increased to 2 itime 257260
1323 acceleration/energy drift too large 2.60388286259137
1324 12.1280694685579 split increased to 2 itime 259399
1326 acceleration/energy drift too large 6.45796619230735
1327 47.5864464837099 split increased to 2 itime 259484
1329 acceleration/energy drift too large 7.94273027558313
1330 66.5456672752248 split increased to 2 itime 259959
1332 Velocities reset to random values, time 51999.80
1333 acceleration/energy drift too large 3.88797891070357
1334 26.3442062749857 split increased to 2 itime 260276
1336 acceleration/energy drift too large 6.99349480011820
1337 47.7837841253383 split increased to 2 itime 260301
1339 acceleration/energy drift too large 1.57731869998459
1340 11.8990813440203 split increased to 4 itime 260301
1342 acceleration/energy drift too large 4.61447338962169
1343 22.9151619947389 split increased to 2 itime 260776
1345 acceleration/energy drift too large 7.17899670696612
1346 26.4749022442379 split increased to 2 itime 260862
1348 acceleration/energy drift too large 5.46685601351314
1349 17.8321954757611 split increased to 2 itime 261818
1351 acceleration/energy drift too large 8.37501437872455
1352 89.1916118826271 split increased to 2 itime 262814
1354 acceleration/energy drift too large 5.22467116630451
1355 17.0237090007236 split increased to 2 itime 263665
1357 acceleration/energy drift too large 5.71210911345283
1358 21.1408707305939 split increased to 2 itime 263901
1360 acceleration/energy drift too large 6.10003549896224
1361 23.5490643132228 split increased to 2 itime 263994
1363 acceleration/energy drift too large 8.20268850051587
1364 23.1777812019148 split increased to 2 itime 264177
1366 acceleration/energy drift too large 3.88188908844422
1367 13.9856854971536 split increased to 2 itime 264691
1369 acceleration/energy drift too large 3.59644744767693
1370 23.4348027889077 split increased to 2 itime 265041
1372 acceleration/energy drift too large 5.85747097230420
1373 18.3512257605687 split increased to 2 itime 266239
1375 acceleration/energy drift too large 2.55022222561286
1376 12.8061798642678 split increased to 2 itime 268645
1378 acceleration/energy drift too large 4.49085679966644
1379 16.3684860363880 split increased to 2 itime 269570
1381 Velocities reset to random values, time 53999.80
1382 acceleration/energy drift too large 5.25274366751194
1383 18.4603368822076 split increased to 2 itime 270538
1385 acceleration/energy drift too large 6.23882492153760
1386 17.5633522160038 split increased to 2 itime 272608
1388 acceleration/energy drift too large 3.85640416013364
1389 11.2906373571186 split increased to 2 itime 274105
1391 acceleration/energy drift too large 2.27744594892197
1392 12.2783170997514 split increased to 2 itime 274415
1394 acceleration/energy drift too large 5.47426144025225
1395 36.0315271901256 split increased to 2 itime 276125
1397 acceleration/energy drift too large 3.50232950588160
1398 19.7353095226570 split increased to 2 itime 276304
1400 acceleration/energy drift too large 8.17273252379029
1401 22.0871395331734 split increased to 2 itime 276917
1403 acceleration/energy drift too large 2.69832241928415
1404 11.4024695909039 split increased to 2 itime 276920
1406 acceleration/energy drift too large 5.19830199417168
1407 19.2870506887228 split increased to 2 itime 278296
1409 acceleration/energy drift too large 4.06193721784993
1410 17.8967177753917 split increased to 2 itime 278400
1412 acceleration/energy drift too large 4.76262838690433
1413 16.8576361345615 split increased to 2 itime 279030
1415 acceleration/energy drift too large 6.32215556102713
1416 18.6070140960166 split increased to 2 itime 279400
1418 Velocities reset to random values, time 55999.80
1419 acceleration/energy drift too large 9.53183291554470
1420 38.8386245693009 split increased to 2 itime 280549
1422 acceleration/energy drift too large 6.25186221347915
1423 24.9729745449266 split increased to 2 itime 284519
1425 acceleration/energy drift too large 3.65361022732287
1426 16.6195900592584 split increased to 2 itime 285728
1428 acceleration/energy drift too large 5.33403394746487
1429 26.1281201328799 split increased to 2 itime 285760
1431 acceleration/energy drift too large 2.62165596395872
1432 13.1436333511659 split increased to 2 itime 285761
1434 acceleration/energy drift too large 5.15436874113173
1435 11.9231750150784 split increased to 2 itime 285768
1437 acceleration/energy drift too large 7.16533442633403
1438 20.0645867637737 split increased to 2 itime 287397
1440 acceleration/energy drift too large 1.91625130967802
1441 11.5153196792092 split increased to 2 itime 287722
1443 acceleration/energy drift too large 8.82931554738403
1444 34.5773118577314 split increased to 2 itime 287851
1446 acceleration/energy drift too large 3.50626692461012
1447 11.9416730995477 split increased to 2 itime 287870
1449 acceleration/energy drift too large 5.24492781059974
1450 21.5243431484944 split increased to 2 itime 289264
1452 Velocities reset to random values, time 57999.80
1453 acceleration/energy drift too large 4.05468605190852
1454 10.8682178066819 split increased to 2 itime 290191
1456 acceleration/energy drift too large 9.29502144483686
1457 39.1096035695160 split increased to 2 itime 290298
1459 acceleration/energy drift too large 2.31173117760042
1460 12.0622389720738 split increased to 2 itime 290299
1462 acceleration/energy drift too large 3.54261923057887
1463 13.1195576565950 split increased to 2 itime 290506
1465 acceleration/energy drift too large 5.79536333255481
1466 23.5741534507117 split increased to 2 itime 292647
1468 acceleration/energy drift too large 5.99924730273468
1469 20.0698313414361 split increased to 2 itime 292718
1471 acceleration/energy drift too large 6.35924310780247
1472 16.2280087407269 split increased to 2 itime 292911
1474 acceleration/energy drift too large 5.82423666300645
1475 17.4629347582618 split increased to 2 itime 293751
1477 acceleration/energy drift too large 7.24553177111816
1478 32.5662412451276 split increased to 2 itime 294774
1480 acceleration/energy drift too large 6.36445641210212
1481 13.9138433683522 split increased to 2 itime 295849
1483 acceleration/energy drift too large 4.56658437011661
1484 14.1075785477974 split increased to 2 itime 296826
1486 acceleration/energy drift too large 4.54062199257411
1487 10.0371432287181 split increased to 2 itime 297975
1489 acceleration/energy drift too large 2.58573152638697
1490 10.5501840834612 split increased to 2 itime 298375
1492 acceleration/energy drift too large 11.5891608933544
1493 64.8807244383626 split increased to 2 itime 298484
1495 acceleration/energy drift too large 6.52639196492389
1496 15.5757699308264 split increased to 2 itime 298951
1498 acceleration/energy drift too large 7.79986462023410
1499 23.8326950552251 split increased to 2 itime 299991
1501 Velocities reset to random values, time 59999.80
1502 REMD synchro at 300000
1503 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1505 REMD gather times= 122.675781250000 0.000000000000000E+000
1506 REMD writing rst time= 3.906250000000000E-003
1507 REMD writing traj time= 3.906250000000000E-003
1509 ACC 1 250.00000 0.66667 3
1510 ACC 2 260.00000 0.00000 3
1511 ACC 3 270.00000 1.00000 3
1512 ACC 4 280.00000 0.33333 3
1513 ACC 5 290.00000 1.00000 3
1514 ACC 6 300.00000 1.00000 3
1515 ACC 7 310.00000 0.33333 3
1516 ACC 8 320.00000 0.66667 3
1517 ACC 9 330.00000 0.66667 3
1518 ACC 10 340.00000 0.66667 3
1519 ACC 11 350.00000 0.33333 3
1520 ACC 12 360.00000 1.00000 3
1521 ACC 13 370.00000 1.00000 3
1522 ACC 14 380.00000 1.00000 3
1523 ACC 15 390.00000 1.00000 3
1524 REMD scatter time= 0.000000000000000E+000
1525 REMD exchange time= 7.812500000000000E-003
1526 acceleration/energy drift too large 6.07766675587740
1527 10.8241477766531 split increased to 2 itime 300133
1529 acceleration/energy drift too large 4.75846444841410
1530 14.5604650991464 split increased to 2 itime 303934
1532 acceleration/energy drift too large 5.22647671248841
1533 10.6215557321656 split increased to 2 itime 304175
1535 acceleration/energy drift too large 4.12123751922885
1536 10.4884747829284 split increased to 2 itime 304241
1538 acceleration/energy drift too large 3.44221399788850
1539 12.5272103618110 split increased to 2 itime 305570
1541 acceleration/energy drift too large 4.76812859718214
1542 11.9262480965619 split increased to 2 itime 306955
1544 acceleration/energy drift too large 4.05763667676570
1545 11.6018843772727 split increased to 2 itime 307011
1547 acceleration/energy drift too large 8.57919462477725
1548 33.3581529060793 split increased to 2 itime 307097
1550 Velocities reset to random values, time 61999.80
1551 acceleration/energy drift too large 6.92603373546451
1552 23.0425935316238 split increased to 2 itime 311284
1554 acceleration/energy drift too large 5.69419384421165
1555 10.6518772866196 split increased to 2 itime 311518
1557 acceleration/energy drift too large 4.36921418148261
1558 10.5453353318495 split increased to 2 itime 311609
1560 acceleration/energy drift too large 7.66272761309504
1561 27.8487547661130 split increased to 2 itime 312257
1563 acceleration/energy drift too large 2.63617479536375
1564 16.8144269054514 split increased to 2 itime 315902
1566 acceleration/energy drift too large 5.79319186200584
1567 10.1007897717378 split increased to 2 itime 316703
1569 acceleration/energy drift too large 5.27985600934854
1570 18.1388084599452 split increased to 2 itime 319001
1572 acceleration/energy drift too large 3.16937329679056
1573 24.1620605719490 split increased to 2 itime 319172
1575 Velocities reset to random values, time 63999.80
1576 acceleration/energy drift too large 3.79058375708654
1577 10.4544440528750 split increased to 2 itime 321177
1579 acceleration/energy drift too large 3.59098679493595
1580 12.6293077222021 split increased to 2 itime 325605
1582 acceleration/energy drift too large 4.83128899002368
1583 13.5463157451227 split increased to 2 itime 325964
1585 acceleration/energy drift too large 2.73760723337011
1586 14.6765139285750 split increased to 2 itime 326989
1588 acceleration/energy drift too large 3.44172973932176
1589 13.9426206532177 split increased to 2 itime 328675
1591 acceleration/energy drift too large 6.06097052407765
1592 14.8954531282660 split increased to 2 itime 329720
1594 Velocities reset to random values, time 65999.80
1595 acceleration/energy drift too large 5.11344591654875
1596 10.8060672290211 split increased to 2 itime 332612
1598 acceleration/energy drift too large 3.42383979993469
1599 22.5718390049174 split increased to 2 itime 332634
1601 acceleration/energy drift too large 2.67433160861011
1602 13.6487718252882 split increased to 2 itime 333274
1604 acceleration/energy drift too large 5.23068412448105
1605 21.0344405516192 split increased to 2 itime 335082
1607 acceleration/energy drift too large 7.75048509436381
1608 27.2706652588561 split increased to 2 itime 338775
1610 Velocities reset to random values, time 67999.80
1611 acceleration/energy drift too large 4.19274336283247
1612 11.2992188723966 split increased to 2 itime 342384
1614 Velocities reset to random values, time 69999.80
1615 acceleration/energy drift too large 2.62179598425635
1616 16.2468969877411 split increased to 2 itime 351204
1618 acceleration/energy drift too large 4.40465975334449
1619 13.1137697025318 split increased to 2 itime 351240
1621 acceleration/energy drift too large 5.03507271155133
1622 10.4560271961448 split increased to 2 itime 351249
1624 acceleration/energy drift too large 4.86608746470851
1625 25.0922468819268 split increased to 2 itime 353281
1627 acceleration/energy drift too large 8.74985933109997
1628 34.9316148544256 split increased to 2 itime 356677
1630 acceleration/energy drift too large 3.56406207258775
1631 10.4752887031890 split increased to 2 itime 356989
1633 acceleration/energy drift too large 5.61153750176249
1634 18.0620612870272 split increased to 2 itime 358116
1636 acceleration/energy drift too large 4.43861446085209
1637 22.0272133050345 split increased to 2 itime 358147
1639 acceleration/energy drift too large 5.91201889244300
1640 15.3791076086729 split increased to 2 itime 358737
1642 acceleration/energy drift too large 3.97160701871715
1643 10.8784136909497 split increased to 2 itime 358848
1645 Velocities reset to random values, time 71999.80
1646 acceleration/energy drift too large 4.76083594317882
1647 12.0414034238304 split increased to 2 itime 361313
1649 acceleration/energy drift too large 5.37586761620795
1650 17.5370386894735 split increased to 2 itime 364179
1652 acceleration/energy drift too large 6.22744230012241
1653 23.9264878326282 split increased to 2 itime 364666
1655 acceleration/energy drift too large 5.37849423933318
1656 28.7599246015068 split increased to 2 itime 365051
1658 acceleration/energy drift too large 5.15684759541444
1659 16.8220738832904 split increased to 2 itime 365749
1661 acceleration/energy drift too large 6.58153491584516
1662 23.5751270385877 split increased to 2 itime 366549
1664 acceleration/energy drift too large 1.88564641261838
1665 16.5285514906273 split increased to 2 itime 366550
1667 Velocities reset to random values, time 73999.80
1668 acceleration/energy drift too large 6.42819413746919
1669 19.2022623719648 split increased to 2 itime 370308
1671 acceleration/energy drift too large 7.68849979005426
1672 26.3712365349223 split increased to 2 itime 370741
1674 acceleration/energy drift too large 6.64359258953225
1675 17.6780292942082 split increased to 2 itime 373653
1677 acceleration/energy drift too large 5.36387204093286
1678 24.1448352998582 split increased to 2 itime 374632
1680 acceleration/energy drift too large 3.67087598742650
1681 10.5305977688170 split increased to 2 itime 375474
1683 acceleration/energy drift too large 11.1226298201210
1684 56.5640202913500 split increased to 2 itime 377670
1686 acceleration/energy drift too large 1.89087148150809
1687 11.4267198153424 split increased to 2 itime 378000
1689 Velocities reset to random values, time 75999.80
1690 acceleration/energy drift too large 8.98850266681585
1691 43.2493594683055 split increased to 2 itime 380523
1693 acceleration/energy drift too large 2.06816876996664
1694 12.9220015497403 split increased to 2 itime 380524
1696 acceleration/energy drift too large 9.60567614855503
1697 58.3210666213169 split increased to 2 itime 380836
1699 acceleration/energy drift too large 2.39090374777370
1700 17.0632962590724 split increased to 2 itime 380837
1702 acceleration/energy drift too large 3.29853904398010
1703 20.5214337491257 split increased to 2 itime 383563
1705 acceleration/energy drift too large 4.73880464773287
1706 13.5663174112965 split increased to 2 itime 383652
1708 acceleration/energy drift too large 7.29111174454555
1709 24.4818690256853 split increased to 2 itime 384278
1711 acceleration/energy drift too large 6.56997907179818
1712 22.8522790571525 split increased to 2 itime 384279
1714 acceleration/energy drift too large 2.70981536196542
1715 12.3358659913794 split increased to 2 itime 386253
1717 acceleration/energy drift too large 2.32102484710323
1718 17.0682482993278 split increased to 2 itime 387254
1720 acceleration/energy drift too large 2.66021524061225
1721 14.4614031356135 split increased to 2 itime 387298
1723 acceleration/energy drift too large 4.15397784121815
1724 12.3232270734992 split increased to 2 itime 388801
1726 acceleration/energy drift too large 4.75798586317919
1727 17.2318019328056 split increased to 2 itime 389015
1729 acceleration/energy drift too large 3.48376008575851
1730 27.0920657733166 split increased to 2 itime 389071
1732 Velocities reset to random values, time 77999.80
1733 acceleration/energy drift too large 9.34132822233123
1734 14.1299459352593 split increased to 2 itime 393325
1736 acceleration/energy drift too large 3.53975057094461
1737 29.3105358293453 split increased to 2 itime 397100
1739 acceleration/energy drift too large 10.0049920273749
1740 50.2397248626102 split increased to 2 itime 399388
1742 acceleration/energy drift too large 2.54711262704641
1743 12.6910927337916 split increased to 4 itime 399388
1745 acceleration/energy drift too large 5.46262086552822
1746 17.9983230473407 split increased to 2 itime 399797
1748 Velocities reset to random values, time 79999.80
1749 REMD synchro at 400000
1750 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1752 REMD gather times= 164.062500000000 0.000000000000000E+000
1753 REMD writing rst time= 0.000000000000000E+000
1754 REMD writing traj time= 3.906250000000000E-003
1756 ACC 1 250.00000 0.75000 4
1757 ACC 2 260.00000 0.00000 4
1758 ACC 3 270.00000 0.75000 4
1759 ACC 4 280.00000 0.25000 4
1760 ACC 5 290.00000 1.00000 4
1761 ACC 6 300.00000 0.75000 4
1762 ACC 7 310.00000 0.50000 4
1763 ACC 8 320.00000 0.50000 4
1764 ACC 9 330.00000 0.75000 4
1765 ACC 10 340.00000 0.75000 4
1766 ACC 11 350.00000 0.50000 4
1767 ACC 12 360.00000 1.00000 4
1768 ACC 13 370.00000 0.75000 4
1769 ACC 14 380.00000 1.00000 4
1770 ACC 15 390.00000 1.00000 4
1771 REMD scatter time= 0.000000000000000E+000
1772 REMD exchange time= 3.906250000000000E-003
1773 acceleration/energy drift too large 5.71207132172949
1774 12.9463594619800 split increased to 2 itime 400099
1776 acceleration/energy drift too large 8.34850791190807
1777 29.9277564895180 split increased to 2 itime 403073
1779 acceleration/energy drift too large 5.19373752054904
1780 15.6040608505331 split increased to 2 itime 403881
1782 acceleration/energy drift too large 7.46832581423188
1783 18.2111880301842 split increased to 2 itime 405282
1785 acceleration/energy drift too large 5.46596215770641
1786 10.3789247750593 split increased to 2 itime 405288
1788 acceleration/energy drift too large 2.38438004043562
1789 10.2868368387867 split increased to 2 itime 405927
1791 acceleration/energy drift too large 7.03732193903913
1792 18.2129980711924 split increased to 2 itime 407200
1794 Velocities reset to random values, time 81999.80
1795 acceleration/energy drift too large 5.03153305452181
1796 21.4339115048159 split increased to 2 itime 410151
1798 acceleration/energy drift too large 3.75853376985387
1799 14.5703104070751 split increased to 2 itime 411244
1801 acceleration/energy drift too large 6.02099667872600
1802 19.0143764076154 split increased to 2 itime 413063
1804 acceleration/energy drift too large 5.86298045495196
1805 34.6096099685146 split increased to 2 itime 416955
1807 acceleration/energy drift too large 5.14258718020759
1808 21.8064241015623 split increased to 2 itime 417013
1810 acceleration/energy drift too large 6.22110687087945
1811 10.2035958611021 split increased to 2 itime 417248
1813 acceleration/energy drift too large 3.09918909289270
1814 11.7704523921461 split increased to 2 itime 417583
1816 acceleration/energy drift too large 1.50679512475557
1817 13.3303051257955 split increased to 4 itime 417583
1819 acceleration/energy drift too large 6.70250994097654
1820 24.1937697163829 split increased to 2 itime 419896
1822 Velocities reset to random values, time 83999.80
1823 acceleration/energy drift too large 4.22194690913700
1824 13.8332714924942 split increased to 2 itime 423520
1826 acceleration/energy drift too large 5.82232540138945
1827 16.3663344713537 split increased to 2 itime 424037
1829 acceleration/energy drift too large 3.99607050498344
1830 14.9605798269824 split increased to 2 itime 424718
1832 acceleration/energy drift too large 4.91701955234869
1833 28.6639978719811 split increased to 2 itime 424908
1835 acceleration/energy drift too large 4.25128758035625
1836 21.6899946168418 split increased to 2 itime 427208
1838 acceleration/energy drift too large 3.71294185839611
1839 16.5713878139662 split increased to 2 itime 427255
1841 Velocities reset to random values, time 85999.80
1842 acceleration/energy drift too large 2.96462232888096
1843 10.0834846412296 split increased to 2 itime 430253
1845 acceleration/energy drift too large 5.59487437996206
1846 27.9843237756155 split increased to 2 itime 430869
1848 acceleration/energy drift too large 5.13294587815154
1849 24.4546885548349 split increased to 2 itime 432617
1851 acceleration/energy drift too large 5.29659024530973
1852 26.5201387412203 split increased to 2 itime 433343
1854 acceleration/energy drift too large 3.00501816602540
1855 12.9375428237120 split increased to 2 itime 433344
1857 acceleration/energy drift too large 3.73365910015374
1858 14.5351590386227 split increased to 2 itime 433390
1860 acceleration/energy drift too large 4.32293666268891
1861 19.6627409949905 split increased to 2 itime 433709
1863 acceleration/energy drift too large 6.52465870186193
1864 29.9768949391426 split increased to 2 itime 434694
1866 acceleration/energy drift too large 5.37484028193743
1867 14.7511999134078 split increased to 2 itime 435178
1869 acceleration/energy drift too large 4.07129818583356
1870 13.8266906513137 split increased to 2 itime 436408
1872 acceleration/energy drift too large 5.30288671343334
1873 16.5228103301032 split increased to 2 itime 437200
1875 acceleration/energy drift too large 3.61185926503092
1876 11.4760999284788 split increased to 2 itime 437348
1878 acceleration/energy drift too large 7.09496473299269
1879 22.1762007359791 split increased to 2 itime 437960
1881 acceleration/energy drift too large 3.36766165064590
1882 13.1774297629055 split increased to 2 itime 439688
1884 Velocities reset to random values, time 87999.80
1885 acceleration/energy drift too large 6.00287588822552
1886 25.4985104983943 split increased to 2 itime 440793
1888 acceleration/energy drift too large 6.89476470137271
1889 19.3185433577334 split increased to 2 itime 440802
1891 acceleration/energy drift too large 4.84382504494316
1892 25.1129951350233 split increased to 2 itime 440829
1894 acceleration/energy drift too large 3.98818766405409
1895 19.1643710214830 split increased to 2 itime 441861
1897 acceleration/energy drift too large 4.31561243948357
1898 11.6071671658382 split increased to 2 itime 442409
1900 acceleration/energy drift too large 7.75629182316262
1901 30.6715202558308 split increased to 2 itime 443145
1903 acceleration/energy drift too large 8.10905156776023
1904 31.7586078839683 split increased to 2 itime 443526
1906 acceleration/energy drift too large 5.61722516667647
1907 18.4211097751804 split increased to 2 itime 443804
1909 acceleration/energy drift too large 2.98849428189056
1910 11.7024416616717 split increased to 2 itime 445676
1912 acceleration/energy drift too large 4.60323295168567
1913 28.0008959564913 split increased to 2 itime 445720
1915 acceleration/energy drift too large 2.00135401562538
1916 10.1340731634422 split increased to 2 itime 445967
1918 acceleration/energy drift too large 6.79474589439384
1919 22.2844299570468 split increased to 2 itime 446222
1921 acceleration/energy drift too large 6.05841335495080
1922 22.7832718425835 split increased to 2 itime 447086
1924 acceleration/energy drift too large 5.47025757241198
1925 21.1806063967866 split increased to 2 itime 447413
1927 acceleration/energy drift too large 6.28227899298396
1928 17.4067619201100 split increased to 2 itime 447775
1930 acceleration/energy drift too large 2.58664406879878
1931 19.3284809823980 split increased to 2 itime 449608
1933 Velocities reset to random values, time 89999.80
1934 acceleration/energy drift too large 5.20953815531127
1935 18.6396952186743 split increased to 2 itime 450890
1937 acceleration/energy drift too large 3.32712756977863
1938 12.1814485829973 split increased to 2 itime 452449
1940 acceleration/energy drift too large 4.69457675801215
1941 11.0673247789955 split increased to 2 itime 452609
1943 acceleration/energy drift too large 4.20155102300153
1944 25.4388516898503 split increased to 2 itime 453514
1946 acceleration/energy drift too large 7.58441117674498
1947 26.9112795896092 split increased to 2 itime 455123
1949 acceleration/energy drift too large 6.67456474609787
1950 14.6651365023740 split increased to 2 itime 456098
1952 acceleration/energy drift too large 6.68289405989964
1953 11.6684158997720 split increased to 2 itime 456842
1955 acceleration/energy drift too large 4.33883048944411
1956 12.6286251816921 split increased to 2 itime 457257
1958 acceleration/energy drift too large 4.13463669355379
1959 10.9748535478564 split increased to 2 itime 457280
1961 acceleration/energy drift too large 3.43849825159746
1962 12.8110401398300 split increased to 2 itime 457621
1964 acceleration/energy drift too large 3.62053743236681
1965 15.6078027805415 split increased to 2 itime 459207
1967 acceleration/energy drift too large 5.25937279029496
1968 34.4016809009295 split increased to 2 itime 459934
1970 Velocities reset to random values, time 91999.80
1971 acceleration/energy drift too large 5.12353780297772
1972 36.8983886338051 split increased to 2 itime 460113
1974 acceleration/energy drift too large 6.80772422237991
1975 26.2283834026153 split increased to 2 itime 462999
1977 acceleration/energy drift too large 2.77741493051902
1978 10.1092428033650 split increased to 2 itime 463566
1980 acceleration/energy drift too large 5.24187751196089
1981 11.8194547437371 split increased to 2 itime 463576
1983 acceleration/energy drift too large 4.01428360568487
1984 13.8739675118642 split increased to 2 itime 464141
1986 acceleration/energy drift too large 5.69419784607206
1987 38.3764478752122 split increased to 2 itime 465976
1989 acceleration/energy drift too large 13.2042929316216
1990 58.6271951177432 split increased to 2 itime 466636
1992 acceleration/energy drift too large 2.63567633549479
1993 11.6403508601015 split increased to 2 itime 467472
1995 Velocities reset to random values, time 93999.80
1996 acceleration/energy drift too large 5.10546285865149
1997 16.4005552628492 split increased to 2 itime 472599
1999 acceleration/energy drift too large 5.75447062513305
2000 20.8641855559396 split increased to 2 itime 475800
2002 acceleration/energy drift too large 3.74766873335163
2003 11.7735913214451 split increased to 2 itime 478245
2005 acceleration/energy drift too large 8.06562039215200
2006 23.3925671940576 split increased to 2 itime 478525
2008 Velocities reset to random values, time 95999.80
2009 acceleration/energy drift too large 6.84343729725816
2010 32.9079266535098 split increased to 2 itime 481310
2012 acceleration/energy drift too large 9.17581477500274
2013 41.0853030940486 split increased to 2 itime 482963
2015 acceleration/energy drift too large 6.28070625966611
2016 17.7302519675813 split increased to 2 itime 483046
2018 acceleration/energy drift too large 4.21710733803607
2019 18.4115697520822 split increased to 2 itime 485275
2021 acceleration/energy drift too large 4.80342092214674
2022 16.0980679382606 split increased to 2 itime 487662
2024 acceleration/energy drift too large 4.32570920881215
2025 10.4742493037187 split increased to 2 itime 488983
2027 acceleration/energy drift too large 6.12506048028423
2028 20.7106424959836 split increased to 2 itime 489936
2030 Velocities reset to random values, time 97999.80
2031 acceleration/energy drift too large 8.44801155346415
2032 34.2112031501455 split increased to 2 itime 490094
2034 acceleration/energy drift too large 5.29713693828657
2035 12.9308979369603 split increased to 2 itime 494036
2037 acceleration/energy drift too large 3.40748426011928
2038 13.6193321782272 split increased to 2 itime 494332
2040 acceleration/energy drift too large 5.10659605191796
2041 12.7078219685672 split increased to 2 itime 496332
2043 acceleration/energy drift too large 5.15881023967515
2044 10.2174486428275 split increased to 2 itime 497933
2046 acceleration/energy drift too large 3.30927059995153
2047 11.2460850499674 split increased to 2 itime 498076
2049 acceleration/energy drift too large 2.55086427188497
2050 14.8923659481319 split increased to 2 itime 498133
2052 acceleration/energy drift too large 3.51134911349549
2053 10.9459869404619 split increased to 2 itime 498326
2055 acceleration/energy drift too large 8.79102005154873
2056 20.9653351508991 split increased to 2 itime 498933
2058 Velocities reset to random values, time 99999.80
2059 REMD synchro at 500000
2060 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2062 REMD gather times= 205.101562500000 0.000000000000000E+000
2063 REMD writing rst time= 0.000000000000000E+000
2064 REMD writing traj time= 3.906250000000000E-003
2066 ACC 1 250.00000 0.80000 5
2067 ACC 2 260.00000 0.00000 5
2068 ACC 3 270.00000 0.80000 5
2069 ACC 4 280.00000 0.40000 5
2070 ACC 5 290.00000 0.80000 5
2071 ACC 6 300.00000 0.60000 5
2072 ACC 7 310.00000 0.60000 5
2073 ACC 8 320.00000 0.60000 5
2074 ACC 9 330.00000 0.60000 5
2075 ACC 10 340.00000 0.80000 5
2076 ACC 11 350.00000 0.60000 5
2077 ACC 12 360.00000 1.00000 5
2078 ACC 13 370.00000 0.80000 5
2079 ACC 14 380.00000 1.00000 5
2080 ACC 15 390.00000 1.00000 5
2081 REMD scatter time= 0.000000000000000E+000
2082 REMD exchange time= 3.906250000000000E-003
2083 acceleration/energy drift too large 8.32256653578622
2084 34.6181709004767 split increased to 2 itime 500413
2086 acceleration/energy drift too large 2.82305846646002
2087 21.4499384719614 split increased to 2 itime 502501
2089 acceleration/energy drift too large 4.30266502961531
2090 30.1477348065987 split increased to 2 itime 504960
2092 Velocities reset to random values, time 101999.80
2093 acceleration/energy drift too large 3.64222416352689
2094 11.4110799135266 split increased to 2 itime 510653
2096 acceleration/energy drift too large 4.61414259403940
2097 10.9733112610136 split increased to 2 itime 514159
2099 acceleration/energy drift too large 5.97565686882792
2100 25.9069867717770 split increased to 2 itime 516855
2102 Velocities reset to random values, time 103999.80
2103 acceleration/energy drift too large 4.01640846294708
2104 11.7117082466496 split increased to 2 itime 521660
2106 Velocities reset to random values, time 105999.80
2107 acceleration/energy drift too large 2.91066343325500
2108 18.5242751047258 split increased to 2 itime 532895
2110 acceleration/energy drift too large 4.73136076427247
2111 11.4004636651319 split increased to 2 itime 534289
2113 acceleration/energy drift too large 4.02742079827788
2114 12.3340182529647 split increased to 2 itime 535238
2116 acceleration/energy drift too large 4.18548686661115
2117 11.0246835252392 split increased to 2 itime 535281
2119 acceleration/energy drift too large 7.26372518172864
2120 36.2219230160685 split increased to 2 itime 537079
2122 acceleration/energy drift too large 5.14035389938236
2123 11.7327691344663 split increased to 2 itime 538689
2125 Velocities reset to random values, time 107999.80
2126 acceleration/energy drift too large 4.51563341206380
2127 18.2265785388783 split increased to 2 itime 543148
2129 acceleration/energy drift too large 6.98600930187806
2130 22.0281616780724 split increased to 2 itime 546150
2132 acceleration/energy drift too large 9.44138902436643
2133 42.8546790236988 split increased to 2 itime 547997
2135 Velocities reset to random values, time 109999.80
2136 acceleration/energy drift too large 7.33555091066331
2137 21.2409581249673 split increased to 2 itime 553375
2139 acceleration/energy drift too large 8.40346215240483
2140 34.6060139412084 split increased to 2 itime 555425
2142 acceleration/energy drift too large 5.08160965493349
2143 26.5305101209948 split increased to 2 itime 555449
2145 acceleration/energy drift too large 2.19775154762170
2146 11.6997216870408 split increased to 2 itime 557387
2148 acceleration/energy drift too large 1.47915811498575
2149 11.4181550998662 split increased to 2 itime 558458
2151 acceleration/energy drift too large 7.40674688751249
2152 25.7980250531580 split increased to 2 itime 558603
2154 acceleration/energy drift too large 2.48970509995056
2155 17.5507929255567 split increased to 2 itime 559965
2157 Velocities reset to random values, time 111999.80
2158 acceleration/energy drift too large 5.86918439243631
2159 12.4501797213461 split increased to 2 itime 562926
2161 acceleration/energy drift too large 4.94862795250665
2162 17.1223079582701 split increased to 2 itime 563105
2164 acceleration/energy drift too large 3.34733629114778
2165 22.1435474310822 split increased to 2 itime 563904
2167 acceleration/energy drift too large 3.49793975071332
2168 15.0572661539993 split increased to 2 itime 565582
2170 acceleration/energy drift too large 4.94365652341386
2171 10.8167815942916 split increased to 2 itime 565600
2173 acceleration/energy drift too large 2.13497412849550
2174 12.5559497501989 split increased to 2 itime 567167
2176 acceleration/energy drift too large 6.29262639367615
2177 10.7149302190480 split increased to 2 itime 568237
2179 acceleration/energy drift too large 3.90945429151435
2180 15.2573143048390 split increased to 2 itime 568542
2182 acceleration/energy drift too large 5.20493539487758
2183 10.7128442098068 split increased to 2 itime 568849
2185 acceleration/energy drift too large 2.54095273602809
2186 16.3004797274468 split increased to 2 itime 569406
2188 Velocities reset to random values, time 113999.80
2189 acceleration/energy drift too large 9.17742326968023
2190 29.0544029524750 split increased to 2 itime 570936
2192 acceleration/energy drift too large 6.54840608785262
2193 13.9759503442289 split increased to 2 itime 571056
2195 acceleration/energy drift too large 2.80492652769202
2196 12.3897453587319 split increased to 2 itime 574135
2198 acceleration/energy drift too large 7.95827299688954
2199 27.0970890315635 split increased to 2 itime 574629
2201 acceleration/energy drift too large 4.58484924675718
2202 10.2462644251674 split increased to 2 itime 575745
2204 acceleration/energy drift too large 2.25332404536768
2205 12.8302912384764 split increased to 2 itime 577521
2207 acceleration/energy drift too large 10.4563882258878
2208 69.0682147756401 split increased to 2 itime 577843
2210 Velocities reset to random values, time 115999.80
2211 acceleration/energy drift too large 2.94382091468212
2212 15.2183446455799 split increased to 2 itime 587079
2214 acceleration/energy drift too large 9.72831816375565
2215 40.5767003244547 split increased to 2 itime 588820
2217 acceleration/energy drift too large 5.29814542992048
2218 16.3104778243298 split increased to 2 itime 588879
2220 acceleration/energy drift too large 4.86769954611960
2221 33.4984288460723 split increased to 2 itime 589038
2223 acceleration/energy drift too large 1.48259598710568
2224 11.5791942939149 split increased to 2 itime 589160
2226 acceleration/energy drift too large 5.99904653062700
2227 42.6177655926637 split increased to 2 itime 589366
2229 Velocities reset to random values, time 117999.80
2230 acceleration/energy drift too large 2.53215878853365
2231 10.7678049460087 split increased to 2 itime 591046
2233 acceleration/energy drift too large 6.04885358313373
2234 16.3385215728903 split increased to 2 itime 594530
2236 acceleration/energy drift too large 3.21143097147966
2237 17.4828366698872 split increased to 2 itime 595187
2239 acceleration/energy drift too large 5.82613753161231
2240 14.5700923952942 split increased to 2 itime 596338
2242 acceleration/energy drift too large 8.09167763309047
2243 30.6607984676892 split increased to 2 itime 597454
2245 acceleration/energy drift too large 5.06490467569374
2246 15.1352963669831 split increased to 2 itime 597655
2248 acceleration/energy drift too large 5.95798811350407
2249 13.7152227253521 split increased to 2 itime 599854
2251 Velocities reset to random values, time 119999.80
2252 REMD synchro at 600000
2253 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2255 REMD gather times= 246.597656250000 0.000000000000000E+000
2256 REMD writing rst time= 3.906250000000000E-003
2257 REMD writing traj time= 3.906250000000000E-003
2259 ACC 1 250.00000 0.66667 6
2260 ACC 2 260.00000 0.16667 6
2261 ACC 3 270.00000 0.66667 6
2262 ACC 4 280.00000 0.33333 6
2263 ACC 5 290.00000 0.83333 6
2264 ACC 6 300.00000 0.50000 6
2265 ACC 7 310.00000 0.50000 6
2266 ACC 8 320.00000 0.66667 6
2267 ACC 9 330.00000 0.66667 6
2268 ACC 10 340.00000 0.66667 6
2269 ACC 11 350.00000 0.66667 6
2270 ACC 12 360.00000 1.00000 6
2271 ACC 13 370.00000 0.83333 6
2272 ACC 14 380.00000 1.00000 6
2273 ACC 15 390.00000 0.83333 6
2274 REMD scatter time= 0.000000000000000E+000
2275 REMD exchange time= 7.812500000000000E-003
2276 acceleration/energy drift too large 9.71715874518612
2277 59.8032874173844 split increased to 2 itime 607171
2279 acceleration/energy drift too large 4.40624250666789
2280 12.4735464516614 split increased to 2 itime 608452
2282 acceleration/energy drift too large 4.92471626019456
2283 12.8749967985790 split increased to 2 itime 608619
2285 acceleration/energy drift too large 2.92638293351378
2286 17.2687629694548 split increased to 2 itime 608847
2288 Velocities reset to random values, time 121999.80
2289 acceleration/energy drift too large 6.76222420680634
2290 20.4787665723596 split increased to 2 itime 610526
2292 acceleration/energy drift too large 5.35938999590726
2293 15.7494533417325 split increased to 2 itime 611332
2295 acceleration/energy drift too large 5.33524414069573
2296 10.9140893048528 split increased to 2 itime 612114
2298 acceleration/energy drift too large 2.85977337754126
2299 17.0767507163904 split increased to 2 itime 612265
2301 acceleration/energy drift too large 3.01761334880526
2302 11.9009045695825 split increased to 2 itime 615109
2304 acceleration/energy drift too large 5.76895029471224
2305 14.0020953103614 split increased to 2 itime 616290
2307 Velocities reset to random values, time 123999.80
2308 acceleration/energy drift too large 5.00627731892210
2309 15.9344036924909 split increased to 2 itime 620150
2311 acceleration/energy drift too large 5.30241147190562
2312 11.3698028078059 split increased to 2 itime 621072
2314 acceleration/energy drift too large 12.7833135883039
2315 67.1337457993802 split increased to 2 itime 621304
2317 acceleration/energy drift too large 2.32973725771269
2318 10.2049498086886 split increased to 4 itime 621304
2320 acceleration/energy drift too large 3.29420355352208
2321 12.3258359780711 split increased to 2 itime 622091
2323 acceleration/energy drift too large 5.71930806506670
2324 15.7387058099748 split increased to 2 itime 623030
2326 acceleration/energy drift too large 6.15119168429779
2327 17.2693746264671 split increased to 2 itime 624095
2329 acceleration/energy drift too large 4.93999527772330
2330 13.3315197418524 split increased to 2 itime 625495
2332 acceleration/energy drift too large 4.60198952011376
2333 15.9485900764603 split increased to 2 itime 625821
2335 acceleration/energy drift too large 12.0556188261804
2336 69.8860709807945 split increased to 2 itime 626286
2338 acceleration/energy drift too large 6.27665329714280
2339 26.6759763933355 split increased to 2 itime 627929
2341 acceleration/energy drift too large 5.16841085528000
2342 25.5642572830610 split increased to 2 itime 628484
2344 acceleration/energy drift too large 5.50937764328620
2345 19.4157357197023 split increased to 2 itime 628606
2347 acceleration/energy drift too large 3.05591740403203
2348 24.4386443236678 split increased to 2 itime 629539
2350 acceleration/energy drift too large 2.76462414439163
2351 10.4596700568920 split increased to 2 itime 629713
2353 Velocities reset to random values, time 125999.80
2354 acceleration/energy drift too large 5.04120310602140
2355 12.6078173736158 split increased to 2 itime 631644
2357 acceleration/energy drift too large 2.39949902546027
2358 17.0504778937893 split increased to 2 itime 632769
2360 acceleration/energy drift too large 3.34177919588478
2361 28.0613572847578 split increased to 2 itime 635478
2363 acceleration/energy drift too large 5.39761527381098
2364 18.3093460100015 split increased to 2 itime 636093
2366 acceleration/energy drift too large 4.54932031628597
2367 13.8642384182678 split increased to 2 itime 639646
2369 Velocities reset to random values, time 127999.80
2370 acceleration/energy drift too large 6.91273824347971
2371 35.1469077072675 split increased to 2 itime 640532
2373 acceleration/energy drift too large 2.65603008549948
2374 13.4475672506537 split increased to 2 itime 642883
2376 acceleration/energy drift too large 4.39385041471738
2377 11.0331370806649 split increased to 2 itime 645983
2379 acceleration/energy drift too large 7.11392505819986
2380 21.3984211886317 split increased to 2 itime 647683
2382 acceleration/energy drift too large 2.59892604791826
2383 10.7126511335512 split increased to 2 itime 649346
2385 acceleration/energy drift too large 8.43553973350020
2386 37.9038255467908 split increased to 2 itime 649675
2388 acceleration/energy drift too large 2.30066816759875
2389 27.7993441832080 split increased to 2 itime 649676
2391 Velocities reset to random values, time 129999.80
2392 acceleration/energy drift too large 3.83954662955577
2393 10.5153298841480 split increased to 2 itime 651801
2395 acceleration/energy drift too large 3.76427566550022
2396 10.9121844353233 split increased to 2 itime 652185
2398 acceleration/energy drift too large 2.86185143034784
2399 20.4232202744548 split increased to 2 itime 652275
2401 acceleration/energy drift too large 4.29396444820257
2402 10.1068911404815 split increased to 2 itime 654113
2404 acceleration/energy drift too large 5.76822631513329
2405 25.6356596718263 split increased to 2 itime 655791
2407 acceleration/energy drift too large 1.92256810542904
2408 17.0238302079479 split increased to 2 itime 655792
2410 acceleration/energy drift too large 3.90414522769411
2411 13.6878200408195 split increased to 2 itime 657293
2413 acceleration/energy drift too large 4.73886927221301
2414 22.3124043189652 split increased to 2 itime 658104
2416 acceleration/energy drift too large 5.61217960662995
2417 20.8143472632252 split increased to 2 itime 659317
2419 acceleration/energy drift too large 5.27624729087840
2420 11.3642346101039 split increased to 2 itime 659927
2422 Velocities reset to random values, time 131999.80
2423 acceleration/energy drift too large 7.27138544505715
2424 22.0522021734202 split increased to 2 itime 661344
2426 acceleration/energy drift too large 6.76997060492267
2427 18.7689454989263 split increased to 2 itime 663264
2429 acceleration/energy drift too large 1.89498881590130
2430 11.6924984697133 split increased to 2 itime 663265
2432 acceleration/energy drift too large 4.71012071753865
2433 24.7361124863986 split increased to 2 itime 665990
2435 acceleration/energy drift too large 4.25256813735382
2436 16.7266556658472 split increased to 2 itime 668575
2438 Velocities reset to random values, time 133999.80
2439 acceleration/energy drift too large 2.97028645724151
2440 15.4115514672812 split increased to 2 itime 670170
2442 acceleration/energy drift too large 4.71276635535120
2443 13.9001211104302 split increased to 2 itime 670546
2445 acceleration/energy drift too large 4.05665159859389
2446 13.6518927915944 split increased to 2 itime 670791
2448 acceleration/energy drift too large 4.81382067786864
2449 10.7371078384639 split increased to 2 itime 671360
2451 acceleration/energy drift too large 2.35211449692875
2452 16.1371186919273 split increased to 2 itime 674269
2454 acceleration/energy drift too large 3.45858212223954
2455 10.6453284092327 split increased to 2 itime 676102
2457 acceleration/energy drift too large 3.18069158781499
2458 10.5184494090905 split increased to 2 itime 677010
2460 acceleration/energy drift too large 8.27044292755897
2461 17.8680409062391 split increased to 2 itime 677100
2463 Velocities reset to random values, time 135999.80
2464 acceleration/energy drift too large 3.81821696054580
2465 24.2526821441175 split increased to 2 itime 681744
2467 acceleration/energy drift too large 6.99061182290122
2468 24.7359107735812 split increased to 2 itime 684913
2470 acceleration/energy drift too large 3.98290241303336
2471 11.7275853703771 split increased to 2 itime 686533
2473 acceleration/energy drift too large 4.86885150597400
2474 15.2934903355320 split increased to 2 itime 686885
2476 acceleration/energy drift too large 4.71754649980239
2477 12.8462508471881 split increased to 2 itime 687700
2479 acceleration/energy drift too large 4.57767748221234
2480 11.0000678006552 split increased to 2 itime 688084
2482 Velocities reset to random values, time 137999.80
2483 acceleration/energy drift too large 13.2997689068681
2484 94.4635984333734 split increased to 2 itime 692228
2486 acceleration/energy drift too large 8.77309310113610
2487 19.8602818129925 split increased to 2 itime 693015
2489 acceleration/energy drift too large 3.71047698450896
2490 21.9360083048692 split increased to 2 itime 694769
2492 Velocities reset to random values, time 139999.80
2493 REMD synchro at 700000
2494 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2496 REMD gather times= 287.238281250000 0.000000000000000E+000
2497 REMD writing rst time= 3.906250000000000E-003
2498 REMD writing traj time= 3.906250000000000E-003
2500 ACC 1 250.00000 0.57143 7
2501 ACC 2 260.00000 0.14286 7
2502 ACC 3 270.00000 0.57143 7
2503 ACC 4 280.00000 0.42857 7
2504 ACC 5 290.00000 0.85714 7
2505 ACC 6 300.00000 0.42857 7
2506 ACC 7 310.00000 0.57143 7
2507 ACC 8 320.00000 0.57143 7
2508 ACC 9 330.00000 0.57143 7
2509 ACC 10 340.00000 0.71429 7
2510 ACC 11 350.00000 0.71429 7
2511 ACC 12 360.00000 1.00000 7
2512 ACC 13 370.00000 0.85714 7
2513 ACC 14 380.00000 1.00000 7
2514 ACC 15 390.00000 0.71429 7
2515 REMD scatter time= 0.000000000000000E+000
2516 REMD exchange time= 7.812500000000000E-003
2517 acceleration/energy drift too large 10.3778105513077
2518 45.5705698821442 split increased to 2 itime 700713
2520 acceleration/energy drift too large 7.27573280681885
2521 24.9773549123473 split increased to 2 itime 701689
2523 acceleration/energy drift too large 6.95000881352936
2524 21.0349886412081 split increased to 2 itime 703581
2526 acceleration/energy drift too large 5.69628876858718
2527 23.8161175695906 split increased to 2 itime 704264
2529 acceleration/energy drift too large 3.93928634771575
2530 10.1940724001607 split increased to 2 itime 704705
2532 acceleration/energy drift too large 6.27973560454849
2533 14.9305840329817 split increased to 2 itime 707585
2535 acceleration/energy drift too large 6.31623307196396
2536 19.7653590101662 split increased to 2 itime 707795
2538 acceleration/energy drift too large 5.64308742094512
2539 16.3528520241839 split increased to 2 itime 708635
2541 acceleration/energy drift too large 4.64674972802479
2542 18.9843998879432 split increased to 2 itime 709649
2544 Velocities reset to random values, time 141999.80
2545 acceleration/energy drift too large 9.57199415528501
2546 44.9230058722958 split increased to 2 itime 710918
2548 acceleration/energy drift too large 6.27829155238554
2549 20.2094809942395 split increased to 2 itime 712410
2551 acceleration/energy drift too large 4.94108339671913
2552 16.2454096534851 split increased to 2 itime 714916
2554 acceleration/energy drift too large 1.58139072088629
2555 11.3134504660929 split increased to 2 itime 717821
2557 acceleration/energy drift too large 5.62619364680017
2558 19.0758211139970 split increased to 2 itime 719701
2560 Velocities reset to random values, time 143999.80
2561 acceleration/energy drift too large 8.90664511810799
2562 30.7245742938004 split increased to 2 itime 720639
2564 acceleration/energy drift too large 4.18101659782279
2565 14.5463771146216 split increased to 2 itime 721665
2567 acceleration/energy drift too large 6.31798074268771
2568 18.6648250851177 split increased to 2 itime 723347
2570 acceleration/energy drift too large 5.45922533867425
2571 12.5303171763889 split increased to 2 itime 724356
2573 acceleration/energy drift too large 3.66629266475106
2574 14.9568924600617 split increased to 2 itime 727915
2576 acceleration/energy drift too large 9.13010064304933
2577 37.8993733018647 split increased to 2 itime 728265
2579 acceleration/energy drift too large 5.32719379476917
2580 19.3222371399577 split increased to 2 itime 729233
2582 Velocities reset to random values, time 145999.80
2583 acceleration/energy drift too large 7.21564885130355
2584 18.1218745084352 split increased to 2 itime 733183
2586 acceleration/energy drift too large 4.18084418088015
2587 11.0738642328025 split increased to 2 itime 733427
2589 acceleration/energy drift too large 5.87958189450254
2590 24.7461867274068 split increased to 2 itime 735277
2592 acceleration/energy drift too large 6.18748492772104
2593 14.9326830525905 split increased to 2 itime 735435
2595 acceleration/energy drift too large 6.83995181617502
2596 16.7581154678553 split increased to 2 itime 737989
2598 acceleration/energy drift too large 1.67490689483482
2599 10.7839989694902 split increased to 2 itime 737990
2601 acceleration/energy drift too large 6.79184559076221
2602 15.8180365298599 split increased to 2 itime 739398
2604 Velocities reset to random values, time 147999.80
2605 acceleration/energy drift too large 3.30831403126013
2606 11.1859602450591 split increased to 2 itime 742022
2608 acceleration/energy drift too large 4.07888915912230
2609 13.2748829366573 split increased to 2 itime 742027
2611 acceleration/energy drift too large 5.72499011188089
2612 15.3263852424929 split increased to 2 itime 742738
2614 acceleration/energy drift too large 7.83185407579471
2615 19.4951971527134 split increased to 2 itime 743233
2617 acceleration/energy drift too large 6.52887497863429
2618 21.4564475249590 split increased to 2 itime 749310
2620 Velocities reset to random values, time 149999.80
2621 acceleration/energy drift too large 4.94921375391011
2622 12.2242079505662 split increased to 2 itime 750276
2624 acceleration/energy drift too large 11.1679888745769
2625 62.0550631922757 split increased to 2 itime 752053
2627 acceleration/energy drift too large 4.89572586133282
2628 10.7894332258531 split increased to 2 itime 755735
2630 acceleration/energy drift too large 4.63367814375340
2631 16.0053753500892 split increased to 2 itime 755990
2633 acceleration/energy drift too large 6.70881450263157
2634 21.9401424860544 split increased to 2 itime 756758
2636 acceleration/energy drift too large 2.59574291918531
2637 15.1827344266691 split increased to 2 itime 757037
2639 Velocities reset to random values, time 151999.80
2640 acceleration/energy drift too large 7.32034953554721
2641 19.8162048344026 split increased to 2 itime 760706
2643 acceleration/energy drift too large 7.48416048631258
2644 27.1719402067542 split increased to 2 itime 762342
2646 acceleration/energy drift too large 4.18588105437259
2647 15.4932857043460 split increased to 2 itime 762864
2649 acceleration/energy drift too large 6.54325795200421
2650 20.9453564287120 split increased to 2 itime 763167
2652 acceleration/energy drift too large 1.45408992370410
2653 10.6691353890354 split increased to 2 itime 763168
2655 acceleration/energy drift too large 2.82344793669962
2656 14.7804760111857 split increased to 2 itime 764078
2658 acceleration/energy drift too large 8.31820693210541
2659 33.9992073588097 split increased to 2 itime 766434
2661 acceleration/energy drift too large 2.96568614245952
2662 11.4882593662374 split increased to 2 itime 767142
2664 Velocities reset to random values, time 153999.80
2665 acceleration/energy drift too large 6.97846234309328
2666 21.1599471495579 split increased to 2 itime 770104
2668 acceleration/energy drift too large 6.07186105990665
2669 17.0411709570779 split increased to 2 itime 772282
2671 acceleration/energy drift too large 4.13149609079361
2672 16.1542632063644 split increased to 2 itime 773044
2674 acceleration/energy drift too large 3.58024752183285
2675 10.9986196865224 split increased to 2 itime 774074
2677 acceleration/energy drift too large 4.65933869631464
2678 11.3020894912283 split increased to 2 itime 775762
2680 acceleration/energy drift too large 6.64324453541183
2681 23.8329909845452 split increased to 2 itime 777131
2683 Velocities reset to random values, time 155999.80
2684 acceleration/energy drift too large 6.21725848487174
2685 25.5192016738765 split increased to 2 itime 781969
2687 acceleration/energy drift too large 5.28482788139553
2688 11.5832453886868 split increased to 2 itime 782431
2690 acceleration/energy drift too large 5.41197131488078
2691 20.5645222904982 split increased to 2 itime 785602
2693 acceleration/energy drift too large 4.21617607792446
2694 12.4151289744401 split increased to 2 itime 785662
2696 acceleration/energy drift too large 5.65334441539085
2697 19.8128836173558 split increased to 2 itime 785798
2699 acceleration/energy drift too large 6.83070723864076
2700 19.6384142278756 split increased to 2 itime 786290
2702 acceleration/energy drift too large 5.46846480378341
2703 13.6903747152896 split increased to 2 itime 786291
2705 acceleration/energy drift too large 13.0371271915984
2706 83.8643176917916 split increased to 2 itime 786459
2708 acceleration/energy drift too large 2.53750747410760
2709 13.1257901957793 split increased to 4 itime 786459
2711 acceleration/energy drift too large 5.05341198342882
2712 18.6910663504077 split increased to 2 itime 786526
2714 acceleration/energy drift too large 5.54498610041270
2715 10.1127896865556 split increased to 2 itime 788113
2717 acceleration/energy drift too large 2.90616231253841
2718 17.3750446284212 split increased to 2 itime 788363
2720 acceleration/energy drift too large 5.71484421940178
2721 14.9752755984658 split increased to 2 itime 788521
2723 Velocities reset to random values, time 157999.80
2724 acceleration/energy drift too large 3.48438872244240
2725 11.0277705412612 split increased to 2 itime 791053
2727 acceleration/energy drift too large 7.28480866116712
2728 21.8225684294232 split increased to 2 itime 793001
2730 acceleration/energy drift too large 3.15715745140506
2731 17.8421191129000 split increased to 2 itime 793953
2733 acceleration/energy drift too large 3.15369662510729
2734 11.0968276137573 split increased to 2 itime 794883
2736 acceleration/energy drift too large 7.72057481913265
2737 24.8835100133885 split increased to 2 itime 798908
2739 Velocities reset to random values, time 159999.80
2740 REMD synchro at 800000
2741 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2743 REMD gather times= 328.550781250000 0.000000000000000E+000
2744 REMD writing rst time= 3.906250000000000E-003
2745 REMD writing traj time= 3.906250000000000E-003
2747 ACC 1 250.00000 0.50000 8
2748 ACC 2 260.00000 0.12500 8
2749 ACC 3 270.00000 0.62500 8
2750 ACC 4 280.00000 0.37500 8
2751 ACC 5 290.00000 0.87500 8
2752 ACC 6 300.00000 0.50000 8
2753 ACC 7 310.00000 0.50000 8
2754 ACC 8 320.00000 0.62500 8
2755 ACC 9 330.00000 0.62500 8
2756 ACC 10 340.00000 0.75000 8
2757 ACC 11 350.00000 0.62500 8
2758 ACC 12 360.00000 0.87500 8
2759 ACC 13 370.00000 0.87500 8
2760 ACC 14 380.00000 1.00000 8
2761 ACC 15 390.00000 0.62500 8
2762 REMD scatter time= 0.000000000000000E+000
2763 REMD exchange time= 7.812500000000000E-003
2764 acceleration/energy drift too large 3.38237005481425
2765 13.0177372503329 split increased to 2 itime 800382
2767 acceleration/energy drift too large 3.68687740502707
2768 13.1131661952979 split increased to 2 itime 800387
2770 acceleration/energy drift too large 6.62429806890289
2771 12.2670178116433 split increased to 2 itime 800938
2773 acceleration/energy drift too large 6.00459371892473
2774 15.9760740580868 split increased to 2 itime 802758
2776 acceleration/energy drift too large 4.17606065745418
2777 10.2323470782529 split increased to 2 itime 803761
2779 acceleration/energy drift too large 7.14104757757157
2780 20.7982096617325 split increased to 2 itime 804047
2782 acceleration/energy drift too large 2.83314361087813
2783 12.8493895575084 split increased to 4 itime 804047
2785 acceleration/energy drift too large 3.33130572746387
2786 14.4036278564385 split increased to 2 itime 806263
2788 acceleration/energy drift too large 12.1916474879637
2789 56.5697056781182 split increased to 2 itime 807235
2791 acceleration/energy drift too large 6.24713930055895
2792 18.6589292216253 split increased to 2 itime 808243
2794 acceleration/energy drift too large 6.03295922073790
2795 40.7623276865984 split increased to 2 itime 808686
2797 acceleration/energy drift too large 3.76743568790769
2798 14.6040332829347 split increased to 2 itime 809142
2800 acceleration/energy drift too large 4.13754874438400
2801 18.2337725436080 split increased to 2 itime 809623
2803 Velocities reset to random values, time 161999.80
2804 acceleration/energy drift too large 4.61915591810941
2805 15.2083008276129 split increased to 2 itime 812048
2807 acceleration/energy drift too large 6.67026259160006
2808 16.1113234821336 split increased to 2 itime 813913
2810 acceleration/energy drift too large 5.58387686436455
2811 34.9327419785173 split increased to 2 itime 815133
2813 acceleration/energy drift too large 4.08276807715154
2814 19.0777719391742 split increased to 2 itime 816262
2816 acceleration/energy drift too large 5.27950585884284
2817 24.6189440909066 split increased to 2 itime 816612
2819 acceleration/energy drift too large 6.81190392531213
2820 24.6797017641099 split increased to 2 itime 816866
2822 acceleration/energy drift too large 2.93320265977883
2823 21.3972634743811 split increased to 2 itime 817074
2825 acceleration/energy drift too large 7.48598917794396
2826 32.6082284070652 split increased to 2 itime 817318
2828 acceleration/energy drift too large 8.26129258186401
2829 30.6228226158735 split increased to 2 itime 817966
2831 acceleration/energy drift too large 4.77570704216971
2832 22.0248529530527 split increased to 2 itime 818008
2834 acceleration/energy drift too large 5.35228511113650
2835 15.6578021514609 split increased to 2 itime 818163
2837 acceleration/energy drift too large 4.46753689895765
2838 24.3214321902305 split increased to 2 itime 818329
2840 acceleration/energy drift too large 8.65704282458737
2841 35.8732029872120 split increased to 2 itime 819528
2843 acceleration/energy drift too large 5.78007710800197
2844 22.0861024992975 split increased to 2 itime 819529
2846 acceleration/energy drift too large 4.87823055857814
2847 29.8210517689087 split increased to 2 itime 819530
2849 acceleration/energy drift too large 5.74715504704695
2850 25.1059119223681 split increased to 2 itime 819900
2852 Velocities reset to random values, time 163999.80
2853 acceleration/energy drift too large 7.76147643858833
2854 29.4585233985278 split increased to 2 itime 821760
2856 acceleration/energy drift too large 3.83798515116589
2857 13.2033374964672 split increased to 2 itime 821770
2859 acceleration/energy drift too large 2.49919679902956
2860 14.0079057484298 split increased to 2 itime 822357
2862 acceleration/energy drift too large 5.82407528491353
2863 25.3257064881128 split increased to 2 itime 824671
2865 acceleration/energy drift too large 5.32627469315376
2866 27.4006405978295 split increased to 2 itime 825001
2868 acceleration/energy drift too large 2.33214372413994
2869 14.2912364737723 split increased to 2 itime 825739
2871 acceleration/energy drift too large 6.22466386010683
2872 17.9960686598819 split increased to 2 itime 826578
2874 acceleration/energy drift too large 5.40935382198015
2875 12.1564640761943 split increased to 2 itime 827613
2877 acceleration/energy drift too large 6.86826673909432
2878 29.2659566477914 split increased to 2 itime 827895
2880 acceleration/energy drift too large 1.84483561906871
2881 10.2687803467267 split increased to 2 itime 827906
2883 acceleration/energy drift too large 4.41335974905746
2884 13.2407898890004 split increased to 2 itime 828514
2886 acceleration/energy drift too large 3.02034561393073
2887 16.6338408090693 split increased to 2 itime 829946
2889 Velocities reset to random values, time 165999.80
2890 acceleration/energy drift too large 3.08452972545759
2891 10.5044340844618 split increased to 2 itime 830652
2893 acceleration/energy drift too large 4.25104832653793
2894 23.6020327369768 split increased to 2 itime 831232
2896 acceleration/energy drift too large 3.85856743565436
2897 17.0170700739114 split increased to 2 itime 831257
2899 acceleration/energy drift too large 5.83119008389862
2900 17.2210768793317 split increased to 2 itime 831821
2902 acceleration/energy drift too large 2.72811395369507
2903 12.2677516099127 split increased to 2 itime 832689
2905 acceleration/energy drift too large 6.59370874136313
2906 28.4885900900972 split increased to 2 itime 835818
2908 acceleration/energy drift too large 2.43937127054156
2909 15.7146173182305 split increased to 2 itime 836053
2911 acceleration/energy drift too large 6.92352713455002
2912 22.3954301350214 split increased to 2 itime 836152
2914 acceleration/energy drift too large 10.3377921290485
2915 65.7154067717737 split increased to 2 itime 836657
2917 acceleration/energy drift too large 6.19757696466051
2918 20.0374099530676 split increased to 2 itime 836994
2920 acceleration/energy drift too large 2.92297915921742
2921 10.2742942501505 split increased to 2 itime 838306
2923 acceleration/energy drift too large 2.40425053490664
2924 10.9015965976524 split increased to 2 itime 838561
2926 acceleration/energy drift too large 4.97086160917120
2927 12.5812660991000 split increased to 2 itime 839160
2929 Velocities reset to random values, time 167999.80
2930 acceleration/energy drift too large 4.42382407486215
2931 20.5996592580773 split increased to 2 itime 840102
2933 acceleration/energy drift too large 4.35570287778676
2934 12.7768539335291 split increased to 2 itime 840130
2936 acceleration/energy drift too large 11.9814639271485
2937 70.1879084920940 split increased to 2 itime 841497
2939 acceleration/energy drift too large 3.68225950799101
2940 15.1774100075725 split increased to 2 itime 842027
2942 acceleration/energy drift too large 5.52356101604260
2943 21.6925019980335 split increased to 2 itime 842475
2945 acceleration/energy drift too large 4.84176523358378
2946 20.1892075942597 split increased to 2 itime 843439
2948 acceleration/energy drift too large 4.34206175859455
2949 20.2417658406234 split increased to 2 itime 844110
2951 acceleration/energy drift too large 5.39278510422845
2952 11.7355225791856 split increased to 2 itime 847857
2954 acceleration/energy drift too large 9.32972240718352
2955 42.9981090151215 split increased to 2 itime 848216
2957 acceleration/energy drift too large 2.45326740453658
2958 10.4502112328651 split increased to 2 itime 848663
2960 Velocities reset to random values, time 169999.80
2961 acceleration/energy drift too large 4.01177317857258
2962 15.4009906152363 split increased to 2 itime 852663
2964 acceleration/energy drift too large 5.32832053515490
2965 12.1204317802878 split increased to 2 itime 852686
2967 acceleration/energy drift too large 3.98636743684713
2968 15.6031059097922 split increased to 2 itime 852761
2970 acceleration/energy drift too large 6.09133283299758
2971 19.8555633563983 split increased to 2 itime 854979
2973 acceleration/energy drift too large 3.29060199291763
2974 13.0109398182878 split increased to 2 itime 856327
2976 acceleration/energy drift too large 5.42684472176758
2977 15.2348467137553 split increased to 2 itime 857245
2979 acceleration/energy drift too large 6.58400124516784
2980 20.3796919761434 split increased to 2 itime 859603
2982 Velocities reset to random values, time 171999.80
2983 acceleration/energy drift too large 4.80220914999480
2984 10.1339151576946 split increased to 2 itime 860051
2986 acceleration/energy drift too large 5.61406210317378
2987 13.1287090195770 split increased to 2 itime 862241
2989 acceleration/energy drift too large 8.68857308572128
2990 35.3468372891964 split increased to 2 itime 862544
2992 acceleration/energy drift too large 7.72016803392450
2993 34.0202217339789 split increased to 2 itime 863102
2995 acceleration/energy drift too large 4.46722802391829
2996 20.6389178636878 split increased to 2 itime 864411
2998 acceleration/energy drift too large 4.26167219403029
2999 17.7515715413730 split increased to 2 itime 865334
3001 acceleration/energy drift too large 4.22973432515897
3002 15.7119262696159 split increased to 2 itime 865360
3004 acceleration/energy drift too large 3.42514822772696
3005 28.5112804028908 split increased to 2 itime 865600
3007 acceleration/energy drift too large 7.56665436731381
3008 13.8427274354859 split increased to 2 itime 866445
3010 acceleration/energy drift too large 5.75578779139162
3011 16.2833218762952 split increased to 2 itime 866518
3013 acceleration/energy drift too large 14.1661847765509
3014 76.8908589401424 split increased to 2 itime 866547
3016 acceleration/energy drift too large 4.76568051040051
3017 17.5682634591496 split increased to 2 itime 866640
3019 acceleration/energy drift too large 3.61741601860296
3020 14.7319553745138 split increased to 2 itime 866664
3022 acceleration/energy drift too large 4.23149370106149
3023 11.2728063972302 split increased to 2 itime 867981
3025 acceleration/energy drift too large 4.37261015614908
3026 16.2752457006339 split increased to 2 itime 868277
3028 acceleration/energy drift too large 5.39311996656503
3029 14.8284667670240 split increased to 2 itime 868886
3031 acceleration/energy drift too large 6.42637114225298
3032 25.3752062598473 split increased to 2 itime 869480
3034 acceleration/energy drift too large 3.61218759810998
3035 10.1041583750837 split increased to 2 itime 869842
3037 Velocities reset to random values, time 173999.80
3038 acceleration/energy drift too large 5.26224574508002
3039 13.9609489980110 split increased to 2 itime 870684
3041 acceleration/energy drift too large 4.58902038030952
3042 15.1875174577019 split increased to 2 itime 873573
3044 acceleration/energy drift too large 13.9613658556561
3045 89.6770171184682 split increased to 2 itime 876474
3047 acceleration/energy drift too large 5.19745848633278
3048 13.5552548236322 split increased to 2 itime 876664
3050 acceleration/energy drift too large 7.21262992004234
3051 26.1162178372731 split increased to 2 itime 878940
3053 acceleration/energy drift too large 3.19181255264547
3054 26.8749444803355 split increased to 2 itime 879426
3056 Velocities reset to random values, time 175999.80
3057 acceleration/energy drift too large 3.06977792748143
3058 10.9931982294421 split increased to 2 itime 880666
3060 acceleration/energy drift too large 2.75694849461784
3061 11.7667639269563 split increased to 2 itime 882687
3063 acceleration/energy drift too large 2.09375992110116
3064 12.8053419691018 split increased to 2 itime 882743
3066 acceleration/energy drift too large 7.06028544458109
3067 23.8162294557140 split increased to 2 itime 884464
3069 acceleration/energy drift too large 4.64639653219010
3070 17.7407870408273 split increased to 2 itime 884469
3072 acceleration/energy drift too large 7.70312672473051
3073 16.5990540034600 split increased to 2 itime 885812
3075 acceleration/energy drift too large 10.5966941671069
3076 56.4906800020849 split increased to 2 itime 887024
3078 acceleration/energy drift too large 4.52503097126906
3079 10.1162669551670 split increased to 2 itime 887317
3081 Velocities reset to random values, time 177999.80
3082 acceleration/energy drift too large 8.69619961973597
3083 34.2998760748367 split increased to 2 itime 893460
3085 acceleration/energy drift too large 4.81374567429138
3086 21.4606246013860 split increased to 2 itime 894160
3088 acceleration/energy drift too large 6.40577581382601
3089 18.0537684065880 split increased to 2 itime 895597
3091 acceleration/energy drift too large 8.92645731056566
3092 41.9458186500683 split increased to 2 itime 896355
3094 acceleration/energy drift too large 7.61581689275868
3095 20.6076007994704 split increased to 2 itime 898012
3097 Velocities reset to random values, time 179999.80
3098 REMD synchro at 900000
3099 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
3101 REMD gather times= 369.171875000000 0.000000000000000E+000
3102 REMD writing rst time= 0.000000000000000E+000
3103 REMD writing traj time= 3.906250000000000E-003
3105 ACC 1 250.00000 0.44444 9
3106 ACC 2 260.00000 0.11111 9
3107 ACC 3 270.00000 0.66667 9
3108 ACC 4 280.00000 0.33333 9
3109 ACC 5 290.00000 0.88889 9
3110 ACC 6 300.00000 0.55556 9
3111 ACC 7 310.00000 0.44444 9
3112 ACC 8 320.00000 0.55556 9
3113 ACC 9 330.00000 0.55556 9
3114 ACC 10 340.00000 0.77778 9
3115 ACC 11 350.00000 0.55556 9
3116 ACC 12 360.00000 0.88889 9
3117 ACC 13 370.00000 0.88889 9
3118 ACC 14 380.00000 1.00000 9
3119 ACC 15 390.00000 0.66667 9
3120 REMD scatter time= 0.000000000000000E+000
3121 REMD exchange time= 3.906250000000000E-003
3122 acceleration/energy drift too large 8.05481103337943
3123 31.1250684426175 split increased to 2 itime 900965
3125 acceleration/energy drift too large 2.61701571818722
3126 11.2523407808492 split increased to 2 itime 901069
3128 acceleration/energy drift too large 5.02527464245620
3129 30.8075250634187 split increased to 2 itime 902459
3131 acceleration/energy drift too large 3.63754398330254
3132 13.0323950177681 split increased to 2 itime 905694
3134 acceleration/energy drift too large 5.15769862220467
3135 20.1188377501454 split increased to 2 itime 909430
3137 acceleration/energy drift too large 7.64897381808747
3138 43.5816957290465 split increased to 2 itime 909945
3140 Velocities reset to random values, time 181999.80
3141 acceleration/energy drift too large 6.43965794544967
3142 19.4895452720833 split increased to 2 itime 915325
3144 acceleration/energy drift too large 3.57245023717684
3145 12.2804834660481 split increased to 2 itime 917812
3147 acceleration/energy drift too large 2.76618512052184
3148 16.0797115374640 split increased to 2 itime 918571
3150 acceleration/energy drift too large 3.93706142966390
3151 13.8735354497499 split increased to 2 itime 918967
3153 acceleration/energy drift too large 5.55311303360152
3154 10.7282234186528 split increased to 2 itime 919348
3156 Velocities reset to random values, time 183999.80
3157 acceleration/energy drift too large 2.69169427088324
3158 11.0914612938132 split increased to 2 itime 920811
3160 acceleration/energy drift too large 6.22566156787866
3161 15.1582361098060 split increased to 2 itime 921276
3163 acceleration/energy drift too large 2.98890256972757
3164 11.1881202362247 split increased to 2 itime 921277
3166 acceleration/energy drift too large 5.27814141151621
3167 10.6341631584489 split increased to 2 itime 925823
3169 acceleration/energy drift too large 5.81284524109278
3170 24.5891252197165 split increased to 2 itime 927653
3172 acceleration/energy drift too large 5.48119060386932
3173 10.8480485065602 split increased to 2 itime 927898
3175 acceleration/energy drift too large 8.51979883796464
3176 42.4999980680505 split increased to 2 itime 928346
3178 Velocities reset to random values, time 185999.80
3179 acceleration/energy drift too large 4.80529118356420
3180 25.2031100504070 split increased to 2 itime 930834
3182 acceleration/energy drift too large 5.02860584553965
3183 12.7568458295912 split increased to 2 itime 931692
3185 acceleration/energy drift too large 4.89229708246707
3186 12.5377126475266 split increased to 2 itime 932447
3188 acceleration/energy drift too large 4.55470478641012
3189 12.4519867462869 split increased to 2 itime 934346
3191 acceleration/energy drift too large 4.69468097998586
3192 11.9087258610449 split increased to 2 itime 934689
3194 acceleration/energy drift too large 3.18264593449796
3195 11.0633353061993 split increased to 2 itime 934793
3197 acceleration/energy drift too large 4.53434968843685
3198 24.6277881599707 split increased to 2 itime 935343
3200 acceleration/energy drift too large 4.90733753505980
3201 10.5255027704337 split increased to 2 itime 935641
3203 acceleration/energy drift too large 2.75682345103759
3204 19.4700407057487 split increased to 2 itime 936307
3206 acceleration/energy drift too large 4.60486379485938
3207 10.2498467363683 split increased to 2 itime 936429
3209 acceleration/energy drift too large 5.79733375322079
3210 24.1610180437751 split increased to 2 itime 937093
3212 acceleration/energy drift too large 5.51725381536469
3213 32.0439873409124 split increased to 2 itime 937975
3215 acceleration/energy drift too large 6.51073858825441
3216 28.7804807643715 split increased to 2 itime 939602
3218 Velocities reset to random values, time 187999.80
3219 acceleration/energy drift too large 4.69124760082540
3220 18.9492456626369 split increased to 2 itime 940209
3222 acceleration/energy drift too large 6.74917361811743
3223 26.4067228155295 split increased to 2 itime 940552
3225 acceleration/energy drift too large 2.30403830889995
3226 11.0353766604116 split increased to 2 itime 940553
3228 acceleration/energy drift too large 7.58938092984247
3229 22.9615923802984 split increased to 2 itime 942358
3231 acceleration/energy drift too large 2.76641659989110
3232 14.3964130983322 split increased to 2 itime 942788
3234 Velocities reset to random values, time 189999.80
3235 acceleration/energy drift too large 6.58530653390531
3236 22.4859420632773 split increased to 2 itime 953719
3238 acceleration/energy drift too large 2.20946495883106
3239 11.2370277953960 split increased to 2 itime 953862
3241 acceleration/energy drift too large 5.02444840583848
3242 16.0241584872741 split increased to 2 itime 955055
3244 Velocities reset to random values, time 191999.80
3245 acceleration/energy drift too large 2.10299074366612
3246 19.5004738340991 split increased to 2 itime 960574
3248 acceleration/energy drift too large 5.41995275991857
3249 17.5218697503181 split increased to 2 itime 961110
3251 acceleration/energy drift too large 11.9102885387065
3252 71.0034174953536 split increased to 2 itime 965692
3254 acceleration/energy drift too large 11.1274389276124
3255 65.4047394032986 split increased to 2 itime 966331
3257 acceleration/energy drift too large 4.24867145405369
3258 12.0764923969973 split increased to 2 itime 966904
3260 acceleration/energy drift too large 3.82817695875608
3261 10.1489345125422 split increased to 2 itime 966955
3263 acceleration/energy drift too large 7.47896016748512
3264 27.6262383698179 split increased to 2 itime 968640
3266 Velocities reset to random values, time 193999.80
3267 acceleration/energy drift too large 3.94393782285029
3268 10.5862614622132 split increased to 2 itime 972125
3270 acceleration/energy drift too large 5.76091206616941
3271 11.5268674559521 split increased to 2 itime 975965
3273 acceleration/energy drift too large 5.71679793282402
3274 14.0795604230499 split increased to 2 itime 977564
3276 acceleration/energy drift too large 3.62396320322734
3277 28.6225936301255 split increased to 2 itime 979056
3279 Velocities reset to random values, time 195999.80
3280 acceleration/energy drift too large 4.18453503321953
3281 11.0635650122307 split increased to 2 itime 980017
3283 acceleration/energy drift too large 7.73835889693810
3284 24.2414778992307 split increased to 2 itime 980985
3286 acceleration/energy drift too large 12.3730317994160
3287 71.8787411639125 split increased to 2 itime 981576
3289 acceleration/energy drift too large 1.75743579269170
3290 12.6933438961326 split increased to 2 itime 983419
3292 acceleration/energy drift too large 6.32615527831737
3293 17.2147332675926 split increased to 2 itime 985069
3295 Velocities reset to random values, time 197999.80
3296 acceleration/energy drift too large 6.26052207476379
3297 18.1020521060995 split increased to 2 itime 991330
3299 acceleration/energy drift too large 4.67394120722699
3300 10.8622066679894 split increased to 2 itime 994289
3302 acceleration/energy drift too large 5.22911240035505
3303 12.3138345895850 split increased to 2 itime 995212
3305 acceleration/energy drift too large 6.33230397412798
3306 16.8702364297813 split increased to 2 itime 996909
3308 acceleration/energy drift too large 4.53146621264599
3309 18.1733607039933 split increased to 2 itime 998421
3311 Velocities reset to random values, time 199999.80
3312 REMD synchro at 1000000
3313 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
3315 writing restart at the end of run
3318 =================================== Timing ===================================
3320 MD calculations setup: 1.17188E-02
3321 Energy & gradient evaluation: 3.75598E+02
3322 Stochastic MD setup: 0.00000E+00
3323 Stochastic MD step setup: 0.00000E+00
3324 MD steps: 4.09824E+02
3327 ============================ End of MD calculation ===========================
3328 CG processor 0 is finishing work.
3329 Total wall clock time 409.886718750000 sec