1 --------------------------------------------------------------------------------
3 --------------------------------------------------------------------------------
4 Input file : 1L2Y_MREMD.inp
5 Output file : 1L2Y_MREMD.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 32
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 32 time before 1.562500000000000E-002
307 i2rep 1 1 2 2 3 3 4 4 5 5
308 6 6 7 7 8 8 9 9 10 10 11
309 11 12 12 13 13 14 14 15 15 16 16
310 i2set 1 1 1 1 1 1 1 1 1 1
311 1 1 1 1 1 1 1 1 1 1 1
312 1 1 1 1 1 1 1 1 1 1 1
313 i,j,il,il1,i_index(i,j,il,il1)
379 REMD Temperature: 250.00000
380 ====================MD calculation start====================
381 Initial velocities randomly generated
383 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000
384 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
385 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619
386 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528
387 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991
388 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426
389 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072
390 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136
391 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398
392 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194
393 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819
394 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000
395 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000
396 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181
397 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927
398 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988
399 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000
400 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353
401 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480
402 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718
403 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591
404 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044
405 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
406 Calling the zero-angular momentum subroutine
407 vcm right after adjustment:
408 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018
411 alpha-carbon coordinates centroid coordinates
413 D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
414 ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044
415 LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795
416 TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147
417 ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530
418 GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291
419 TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994
420 LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795
421 LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786
422 ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078
423 GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000
424 GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000
425 PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456
426 SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587
427 SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587
428 GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000
429 ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767
430 PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456
431 PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456
432 PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456
433 SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587
434 D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000
436 Geometry of the virtual chain.
437 Res d Theta Gamma Dsc Alpha Beta
438 D 1 0.000 0.000 0.000 0.000 0.000 0.000
439 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
440 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
441 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
442 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
443 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
444 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
445 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
446 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
447 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
448 GLY 11 3.800 90.000 180.000 0.000 180.000 180.000
449 GLY 12 3.800 90.000 180.000 0.000 180.000 180.000
450 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
451 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
452 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
453 GLY 16 3.800 90.000 180.000 0.000 180.000 180.000
454 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
455 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
456 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
457 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
458 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
459 D 22 3.800 90.000 180.000 0.000 180.000 180.000
460 Potential energy and its components
462 Virtual-chain energies:
464 EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC)
465 EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p)
466 EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p)
467 EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW)
468 ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching)
469 EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending)
470 ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local)
471 ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional)
472 ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional)
473 EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
474 ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body)
475 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
476 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
477 EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local)
478 ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order)
479 ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order)
480 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
481 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
482 EDIHC= 0.000000E+00 (dihedral angle constraints)
483 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
484 UCONST= 0.000000E+00 (Constraint energy)
485 ETOT= 2.499553E+01 (total)
488 Kinetic energy 2.63515E+01
489 potential energy 2.49955E+01
490 total energy 5.13470E+01
492 maximum acceleration 7.10627E-01
494 Setup time 2.343750000000000E-002
495 acceleration/energy drift too large 6.01872884623843
496 20.2592193941127 split increased to 2 itime 139
498 acceleration/energy drift too large 5.27112114968694
499 24.5947094282993 split increased to 2 itime 811
501 acceleration/energy drift too large 4.11749741993015
502 10.0233573756981 split increased to 2 itime 812
504 acceleration/energy drift too large 6.78156239205624
505 46.6376162381685 split increased to 2 itime 1036
507 acceleration/energy drift too large 9.31079499697821
508 31.7226708145899 split increased to 2 itime 2891
510 acceleration/energy drift too large 6.21988967563635
511 16.7074784854902 split increased to 2 itime 3759
513 acceleration/energy drift too large 1.80361188606243
514 12.1415737284860 split increased to 2 itime 4945
516 acceleration/energy drift too large 5.12402735643209
517 29.4650551506901 split increased to 2 itime 5095
519 acceleration/energy drift too large 2.83404312115991
520 14.2652706563271 split increased to 2 itime 5279
522 acceleration/energy drift too large 3.34004923031108
523 13.9147219048335 split increased to 2 itime 5456
525 acceleration/energy drift too large 3.94199203323793
526 14.7105414366802 split increased to 2 itime 5684
528 acceleration/energy drift too large 4.58176126929386
529 18.9652642544041 split increased to 2 itime 6659
531 acceleration/energy drift too large 4.23308137134488
532 20.0605747926315 split increased to 2 itime 7737
534 acceleration/energy drift too large 5.69874662777226
535 13.1487157869994 split increased to 2 itime 8176
537 acceleration/energy drift too large 8.80799290368255
538 36.1731351413900 split increased to 2 itime 8328
540 acceleration/energy drift too large 4.83324003078720
541 10.4766940200828 split increased to 2 itime 8736
543 acceleration/energy drift too large 2.74481026144746
544 15.5635977279567 split increased to 2 itime 9154
546 Velocities reset to random values, time 1999.80
547 acceleration/energy drift too large 14.0404045922975
548 68.7798479910309 split increased to 2 itime 10160
550 acceleration/energy drift too large 1.50316818806266
551 10.5002113048853 split increased to 2 itime 10590
553 acceleration/energy drift too large 5.43166515803004
554 13.9130864336143 split increased to 2 itime 11052
556 acceleration/energy drift too large 4.18833595053208
557 22.5560767264168 split increased to 2 itime 12025
559 acceleration/energy drift too large 5.05652196479640
560 14.4921485139768 split increased to 2 itime 13325
562 acceleration/energy drift too large 4.45939796981960
563 16.5366763212833 split increased to 2 itime 15176
565 acceleration/energy drift too large 2.65463078527267
566 16.4090157418096 split increased to 2 itime 16444
568 acceleration/energy drift too large 4.83718887683354
569 14.1174528410817 split increased to 2 itime 17097
571 acceleration/energy drift too large 6.31119970893411
572 16.8460396165817 split increased to 2 itime 19697
574 acceleration/energy drift too large 4.02987312329386
575 10.3471546915559 split increased to 2 itime 19819
577 acceleration/energy drift too large 3.99202782706859
578 10.0203344095428 split increased to 2 itime 19834
580 Velocities reset to random values, time 3999.80
581 acceleration/energy drift too large 6.16108168523388
582 17.6884977232375 split increased to 2 itime 22438
584 acceleration/energy drift too large 2.32814200502473
585 10.4235372979880 split increased to 4 itime 22438
587 acceleration/energy drift too large 6.04820859670261
588 17.2116778245396 split increased to 2 itime 22949
590 acceleration/energy drift too large 9.39321822080475
591 40.3009380499136 split increased to 2 itime 24190
593 acceleration/energy drift too large 12.2349397254060
594 65.3702132086642 split increased to 2 itime 25430
596 acceleration/energy drift too large 3.56592545350488
597 18.7333147770938 split increased to 2 itime 26054
599 acceleration/energy drift too large 4.94539499627627
600 11.7236757967914 split increased to 2 itime 27422
602 acceleration/energy drift too large 6.34859604644822
603 15.8808952575016 split increased to 2 itime 28830
605 acceleration/energy drift too large 7.97849023708925
606 18.7636280341567 split increased to 2 itime 29314
608 Velocities reset to random values, time 5999.80
609 acceleration/energy drift too large 5.71322468319090
610 13.0840605575853 split increased to 2 itime 30269
612 acceleration/energy drift too large 6.08204819236797
613 11.5030063880184 split increased to 2 itime 32467
615 acceleration/energy drift too large 4.62814684819236
616 15.4269491395818 split increased to 2 itime 33071
618 acceleration/energy drift too large 4.70153961675083
619 13.2205867635956 split increased to 2 itime 37548
621 acceleration/energy drift too large 4.25311269514877
622 12.1931048233601 split increased to 2 itime 37870
624 Velocities reset to random values, time 7999.80
625 acceleration/energy drift too large 3.85720530076065
626 10.7533701949358 split increased to 2 itime 40923
628 acceleration/energy drift too large 4.70796821872959
629 10.0261038188810 split increased to 2 itime 42324
631 acceleration/energy drift too large 3.96818438961114
632 10.8885252102699 split increased to 2 itime 42612
634 acceleration/energy drift too large 4.09393162352054
635 11.5790376309746 split increased to 2 itime 43050
637 acceleration/energy drift too large 4.11712862523380
638 11.0072201435151 split increased to 2 itime 44766
640 acceleration/energy drift too large 2.35382036918792
641 13.3099228493673 split increased to 2 itime 45474
643 acceleration/energy drift too large 1.94630935135251
644 10.9177661801165 split increased to 2 itime 46476
646 acceleration/energy drift too large 2.06980925461797
647 11.8933888628329 split increased to 2 itime 47581
649 acceleration/energy drift too large 9.10461204955003
650 26.4122572834987 split increased to 2 itime 47995
652 acceleration/energy drift too large 7.65514960946350
653 16.0520658295329 split increased to 2 itime 48706
655 acceleration/energy drift too large 5.00524961909485
656 15.1658758532439 split increased to 2 itime 48825
658 Velocities reset to random values, time 9999.80
659 acceleration/energy drift too large 4.96256603098756
660 18.3691428119523 split increased to 2 itime 51876
662 acceleration/energy drift too large 6.17016796366666
663 21.0175151708704 split increased to 2 itime 53149
665 acceleration/energy drift too large 5.29951934386337
666 31.9533628880177 split increased to 2 itime 53272
668 acceleration/energy drift too large 4.68375061639108
669 12.7060473695889 split increased to 2 itime 53395
671 acceleration/energy drift too large 3.20466394431315
672 19.7717416088959 split increased to 2 itime 53446
674 acceleration/energy drift too large 4.85961281423604
675 11.0926402202715 split increased to 2 itime 54681
677 acceleration/energy drift too large 4.14153258922024
678 12.0395465482629 split increased to 2 itime 56699
680 acceleration/energy drift too large 2.72601920768183
681 12.3525016323719 split increased to 2 itime 58003
683 acceleration/energy drift too large 6.55696556129599
684 14.2429255435316 split increased to 2 itime 58834
686 Velocities reset to random values, time 11999.80
687 acceleration/energy drift too large 7.12474949730125
688 22.0427565925556 split increased to 2 itime 61766
690 acceleration/energy drift too large 4.57337960000594
691 13.0230047455612 split increased to 2 itime 61925
693 acceleration/energy drift too large 5.02909377016599
694 11.6681422766353 split increased to 2 itime 62314
696 acceleration/energy drift too large 6.35545410294304
697 13.7955727228278 split increased to 2 itime 62315
699 acceleration/energy drift too large 3.84637140197231
700 15.8731664253529 split increased to 2 itime 62390
702 acceleration/energy drift too large 7.51463114258450
703 37.0097708173328 split increased to 2 itime 62628
705 acceleration/energy drift too large 2.74527858013029
706 18.5089597227240 split increased to 2 itime 63937
708 acceleration/energy drift too large 3.02629594123442
709 15.2557094699447 split increased to 2 itime 67453
711 acceleration/energy drift too large 4.88402970109660
712 12.8773440495137 split increased to 2 itime 67756
714 Velocities reset to random values, time 13999.80
715 acceleration/energy drift too large 4.64262254089198
716 12.9253616962702 split increased to 2 itime 70092
718 acceleration/energy drift too large 6.53041013165571
719 25.3486436718531 split increased to 2 itime 70359
721 acceleration/energy drift too large 7.57807972570140
722 25.2793900559892 split increased to 2 itime 72857
724 acceleration/energy drift too large 9.29548902353072
725 42.5960306524631 split increased to 2 itime 72991
727 acceleration/energy drift too large 5.75244529897706
728 10.9510885251213 split increased to 2 itime 73642
730 acceleration/energy drift too large 11.4395965515086
731 60.0948035321383 split increased to 2 itime 74388
733 acceleration/energy drift too large 2.22631705367035
734 11.4713659959425 split increased to 2 itime 76683
736 acceleration/energy drift too large 9.84608215173027
737 34.3450966126282 split increased to 2 itime 77552
739 acceleration/energy drift too large 4.20929349125431
740 17.9775830371482 split increased to 2 itime 79436
742 acceleration/energy drift too large 4.61379006684879
743 20.2989056521177 split increased to 2 itime 79589
745 Velocities reset to random values, time 15999.80
746 acceleration/energy drift too large 5.50108596343538
747 10.6878119019872 split increased to 2 itime 80008
749 acceleration/energy drift too large 2.37118338977475
750 10.3256968971107 split increased to 2 itime 81194
752 acceleration/energy drift too large 4.31667605360844
753 15.2052353631072 split increased to 2 itime 83700
755 acceleration/energy drift too large 4.82637085599304
756 23.3381873707151 split increased to 2 itime 84232
758 acceleration/energy drift too large 4.96954630655769
759 30.7957769669266 split increased to 2 itime 84269
761 acceleration/energy drift too large 3.85455979578227
762 13.9604757007354 split increased to 2 itime 84376
764 acceleration/energy drift too large 2.67927691395306
765 12.2165085498758 split increased to 2 itime 86011
767 acceleration/energy drift too large 2.91031747948615
768 13.1206077770531 split increased to 2 itime 86348
770 acceleration/energy drift too large 6.77072466643258
771 18.4549273126829 split increased to 2 itime 88337
773 acceleration/energy drift too large 5.03953151137243
774 12.7177514592325 split increased to 2 itime 89436
776 Velocities reset to random values, time 17999.80
777 acceleration/energy drift too large 2.11777019420856
778 10.7749222926264 split increased to 2 itime 92164
780 acceleration/energy drift too large 1.90319180289364
781 10.2714078201419 split increased to 2 itime 94344
783 acceleration/energy drift too large 4.49449982744576
784 16.6526232289962 split increased to 2 itime 98465
786 Velocities reset to random values, time 19999.80
787 REMD synchro at 100000
788 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
790 REMD gather times= 40.9687500000000 0.000000000000000E+000
791 REMD writing rst time= 3.906250000000000E-003
792 REMD writing traj time= 3.906250000000000E-003
794 ACC 1 250.00000 0.50000 2
795 ACC 2 260.00000 0.50000 2
796 ACC 3 270.00000 0.50000 2
797 ACC 4 280.00000 1.00000 2
798 ACC 5 290.00000 1.00000 2
799 ACC 6 300.00000 1.00000 2
800 ACC 7 310.00000 1.00000 2
801 ACC 8 320.00000 0.50000 2
802 ACC 9 330.00000 0.50000 2
803 ACC 10 340.00000 0.50000 2
804 ACC 11 350.00000 1.00000 2
805 ACC 12 360.00000 1.00000 2
806 ACC 13 370.00000 1.00000 2
807 ACC 14 380.00000 1.00000 2
808 ACC 15 390.00000 1.00000 2
809 REMD scatter time= 0.000000000000000E+000
810 REMD exchange time= 7.812500000000000E-003
811 acceleration/energy drift too large 5.30479153111135
812 32.7183846714053 split increased to 2 itime 100827
814 acceleration/energy drift too large 9.22099333317887
815 37.7678774510184 split increased to 2 itime 101064
817 acceleration/energy drift too large 6.83705434534516
818 19.7948572520227 split increased to 2 itime 103347
820 acceleration/energy drift too large 3.62758568381967
821 13.3868723618269 split increased to 2 itime 104771
823 acceleration/energy drift too large 1.28740660298988
824 10.9625518324737 split increased to 2 itime 104877
826 acceleration/energy drift too large 3.00359038965876
827 10.9089748353496 split increased to 2 itime 105225
829 acceleration/energy drift too large 6.59710964322336
830 19.9436512291436 split increased to 2 itime 105571
832 acceleration/energy drift too large 2.59450950912824
833 15.9477257800052 split increased to 2 itime 107435
835 acceleration/energy drift too large 11.8469126797054
836 62.6720329303470 split increased to 2 itime 109698
838 Velocities reset to random values, time 21999.80
839 acceleration/energy drift too large 4.67667714775613
840 14.3220169779296 split increased to 2 itime 114515
842 acceleration/energy drift too large 1.47149135649588
843 13.2849595556945 split increased to 2 itime 114516
845 acceleration/energy drift too large 6.53334308136208
846 17.1429048544320 split increased to 2 itime 114687
848 acceleration/energy drift too large 5.49126088265693
849 15.0726841996235 split increased to 2 itime 116232
851 acceleration/energy drift too large 2.35083952362108
852 16.2615651242920 split increased to 2 itime 119069
854 acceleration/energy drift too large 2.53374937388076
855 13.7890630887510 split increased to 2 itime 119365
857 acceleration/energy drift too large 5.68869941458716
858 17.1251864508609 split increased to 2 itime 119589
860 Velocities reset to random values, time 23999.80
861 acceleration/energy drift too large 3.46875069672194
862 14.1650871917352 split increased to 2 itime 120024
864 acceleration/energy drift too large 5.35983273753198
865 17.7545992959714 split increased to 2 itime 120722
867 acceleration/energy drift too large 2.69115114165305
868 12.5578282153985 split increased to 2 itime 121072
870 acceleration/energy drift too large 8.92426812054165
871 43.0380153963682 split increased to 2 itime 121593
873 acceleration/energy drift too large 2.80862827736768
874 17.8780743426604 split increased to 4 itime 121593
876 acceleration/energy drift too large 6.44963434250421
877 27.0704195221939 split increased to 2 itime 123932
879 acceleration/energy drift too large 11.4204880014522
880 77.2449800161233 split increased to 2 itime 125528
882 acceleration/energy drift too large 6.26956083802194
883 15.0033705470759 split increased to 2 itime 129953
885 Velocities reset to random values, time 25999.80
886 acceleration/energy drift too large 11.9950337692422
887 66.7445687178871 split increased to 2 itime 131446
889 acceleration/energy drift too large 7.39799040535664
890 25.4558017873048 split increased to 2 itime 133388
892 acceleration/energy drift too large 7.80533028372326
893 49.8575549355695 split increased to 2 itime 133766
895 acceleration/energy drift too large 4.57106664339688
896 11.5383805377247 split increased to 2 itime 135200
898 acceleration/energy drift too large 2.46638430907786
899 12.0236663284555 split increased to 2 itime 138415
901 Velocities reset to random values, time 27999.80
902 acceleration/energy drift too large 4.09953985498909
903 11.4755856424183 split increased to 2 itime 140183
905 acceleration/energy drift too large 3.04683218402603
906 11.2554979946582 split increased to 2 itime 140926
908 acceleration/energy drift too large 3.79217439911290
909 10.8635749654404 split increased to 2 itime 142747
911 acceleration/energy drift too large 3.26775080400935
912 19.8580527907864 split increased to 2 itime 143947
914 acceleration/energy drift too large 6.91951069605565
915 21.0009780640194 split increased to 2 itime 144124
917 acceleration/energy drift too large 4.23198220778981
918 11.7038874075694 split increased to 2 itime 144960
920 acceleration/energy drift too large 3.61395855980471
921 26.7041938628218 split increased to 2 itime 145575
923 acceleration/energy drift too large 9.06140948726832
924 38.5046050873916 split increased to 2 itime 146889
926 acceleration/energy drift too large 4.36632722688913
927 14.8000149348647 split increased to 2 itime 148748
929 acceleration/energy drift too large 4.54092210925177
930 13.4100664026597 split increased to 2 itime 149897
932 Velocities reset to random values, time 29999.80
933 acceleration/energy drift too large 6.47119178764283
934 10.7719348396560 split increased to 2 itime 151203
936 acceleration/energy drift too large 8.00413343430371
937 25.0047637139609 split increased to 2 itime 152674
939 acceleration/energy drift too large 8.11033650851310
940 43.2921294888434 split increased to 2 itime 153906
942 acceleration/energy drift too large 5.73774808748230
943 41.3121996205828 split increased to 2 itime 154566
945 acceleration/energy drift too large 4.83658630972499
946 11.2263777037460 split increased to 2 itime 156598
948 acceleration/energy drift too large 15.4574211568038
949 110.492945675102 split increased to 2 itime 157700
951 acceleration/energy drift too large 2.33923685921131
952 11.1333985374754 split increased to 4 itime 157700
954 acceleration/energy drift too large 2.67362685257378
955 24.5366014360706 split increased to 2 itime 157902
957 acceleration/energy drift too large 4.20358949652687
958 15.5833076545541 split increased to 2 itime 158586
960 acceleration/energy drift too large 7.17712699417804
961 26.9852030152952 split increased to 2 itime 159307
963 Velocities reset to random values, time 31999.80
964 acceleration/energy drift too large 3.24794940144217
965 14.2734384626896 split increased to 2 itime 160193
967 acceleration/energy drift too large 3.43970294419817
968 10.1171354204279 split increased to 2 itime 160199
970 acceleration/energy drift too large 2.06897556646671
971 10.6296009166735 split increased to 2 itime 160200
973 acceleration/energy drift too large 2.77169775964682
974 14.7755942435251 split increased to 2 itime 160211
976 acceleration/energy drift too large 3.42977414913289
977 11.8186996365778 split increased to 2 itime 160217
979 acceleration/energy drift too large 3.50975405150415
980 15.0678438787267 split increased to 2 itime 162389
982 acceleration/energy drift too large 3.41646887105571
983 13.0056729464677 split increased to 2 itime 162559
985 acceleration/energy drift too large 4.20560385169009
986 12.6608673993539 split increased to 2 itime 162629
988 acceleration/energy drift too large 8.85761141711838
989 34.9170962666287 split increased to 2 itime 163319
991 acceleration/energy drift too large 3.06853395465094
992 23.2095134557028 split increased to 2 itime 165420
994 acceleration/energy drift too large 11.5215696811755
995 73.0001952199420 split increased to 2 itime 167940
997 acceleration/energy drift too large 14.2581978392574
998 78.8414676738210 split increased to 2 itime 168392
1000 acceleration/energy drift too large 8.11137643447097
1001 25.7749786429328 split increased to 2 itime 168987
1003 Velocities reset to random values, time 33999.80
1004 acceleration/energy drift too large 4.94449710560333
1005 27.5960117047999 split increased to 2 itime 170962
1007 acceleration/energy drift too large 5.80114466418178
1008 37.0142957243123 split increased to 2 itime 171123
1010 acceleration/energy drift too large 8.17697353258330
1011 32.5607784627130 split increased to 2 itime 171238
1013 acceleration/energy drift too large 4.67706335661793
1014 13.8446094467380 split increased to 2 itime 171951
1016 acceleration/energy drift too large 3.55821361094147
1017 12.6928119421075 split increased to 2 itime 172153
1019 acceleration/energy drift too large 2.68882159975445
1020 18.7046804242565 split increased to 2 itime 172383
1022 acceleration/energy drift too large 4.81339966386691
1023 11.0429044904753 split increased to 2 itime 173978
1025 acceleration/energy drift too large 6.44559547568225
1026 17.5187311550819 split increased to 2 itime 175581
1028 Velocities reset to random values, time 35999.80
1029 acceleration/energy drift too large 7.63015780686967
1030 38.2167304588196 split increased to 2 itime 181534
1032 acceleration/energy drift too large 4.24586808539030
1033 27.1452160067227 split increased to 2 itime 184738
1035 acceleration/energy drift too large 2.52604350435751
1036 12.8679021516249 split increased to 2 itime 185131
1038 acceleration/energy drift too large 3.07991978539439
1039 18.4856171599058 split increased to 2 itime 187016
1041 acceleration/energy drift too large 17.2341559140548
1042 109.558196953544 split increased to 2 itime 187263
1044 acceleration/energy drift too large 2.70407111680038
1045 11.9766440019272 split increased to 2 itime 187797
1047 acceleration/energy drift too large 2.85601163420964
1048 10.4667912218996 split increased to 2 itime 187962
1050 acceleration/energy drift too large 3.54860371888249
1051 17.0409764352721 split increased to 2 itime 189108
1053 Velocities reset to random values, time 37999.80
1054 acceleration/energy drift too large 4.17545222375564
1055 14.0350918790853 split increased to 2 itime 190536
1057 acceleration/energy drift too large 5.38725125175909
1058 13.7194815171194 split increased to 2 itime 192983
1060 acceleration/energy drift too large 4.13121779390983
1061 10.4707404865971 split increased to 2 itime 195632
1063 acceleration/energy drift too large 2.69929022213329
1064 13.1670958223454 split increased to 2 itime 195633
1066 acceleration/energy drift too large 4.30213556284370
1067 16.6021758474957 split increased to 2 itime 196151
1069 Velocities reset to random values, time 39999.80
1070 REMD synchro at 200000
1071 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1073 REMD gather times= 82.4257812500000 0.000000000000000E+000
1074 REMD writing rst time= 7.812500000000000E-003
1075 REMD writing traj time= 0.000000000000000E+000
1077 ACC 1 250.00000 0.25000 4
1078 ACC 2 260.00000 0.25000 4
1079 ACC 3 270.00000 0.50000 4
1080 ACC 4 280.00000 0.75000 4
1081 ACC 5 290.00000 1.00000 4
1082 ACC 6 300.00000 0.75000 4
1083 ACC 7 310.00000 0.50000 4
1084 ACC 8 320.00000 0.75000 4
1085 ACC 9 330.00000 0.50000 4
1086 ACC 10 340.00000 0.50000 4
1087 ACC 11 350.00000 1.00000 4
1088 ACC 12 360.00000 0.75000 4
1089 ACC 13 370.00000 1.00000 4
1090 ACC 14 380.00000 1.00000 4
1091 ACC 15 390.00000 1.00000 4
1092 REMD scatter time= 0.000000000000000E+000
1093 REMD exchange time= 1.171875000000000E-002
1094 acceleration/energy drift too large 7.30090016283820
1095 15.7095332932774 split increased to 2 itime 200041
1097 acceleration/energy drift too large 2.42357508774481
1098 13.8339712481104 split increased to 2 itime 201335
1100 acceleration/energy drift too large 2.56339983715425
1101 16.0371804329780 split increased to 2 itime 201526
1103 acceleration/energy drift too large 7.55589930988574
1104 24.6175594354758 split increased to 2 itime 202603
1106 acceleration/energy drift too large 2.93841099794953
1107 18.6718639219353 split increased to 2 itime 207848
1109 acceleration/energy drift too large 6.57747310707990
1110 24.5034800133647 split increased to 2 itime 208740
1112 acceleration/energy drift too large 2.83168809868655
1113 16.7704745262047 split increased to 2 itime 209346
1115 acceleration/energy drift too large 3.76135969385638
1116 10.4831455893703 split increased to 2 itime 209988
1118 Velocities reset to random values, time 41999.80
1119 acceleration/energy drift too large 2.68658560955684
1120 20.0265063324112 split increased to 2 itime 211006
1122 acceleration/energy drift too large 7.00458441848942
1123 22.0926248300972 split increased to 2 itime 212729
1125 acceleration/energy drift too large 2.30068733485124
1126 12.1738774115241 split increased to 2 itime 212950
1128 acceleration/energy drift too large 8.55397300503514
1129 31.6111139472683 split increased to 2 itime 213200
1131 acceleration/energy drift too large 2.12345485781168
1132 14.9237985195986 split increased to 2 itime 213449
1134 acceleration/energy drift too large 9.11976435795469
1135 52.2898887375870 split increased to 2 itime 213545
1137 acceleration/energy drift too large 2.88176433900706
1138 11.7912237553042 split increased to 2 itime 214716
1140 Velocities reset to random values, time 43999.80
1141 acceleration/energy drift too large 4.76808917908119
1142 15.9308946339895 split increased to 2 itime 220144
1144 acceleration/energy drift too large 2.36642618455310
1145 11.0144061062010 split increased to 2 itime 221270
1147 acceleration/energy drift too large 2.92527334489512
1148 15.6715426426950 split increased to 2 itime 221668
1150 acceleration/energy drift too large 3.59894411448008
1151 11.1107191014724 split increased to 2 itime 222058
1153 acceleration/energy drift too large 5.78835431098490
1154 13.3093708837810 split increased to 2 itime 224122
1156 acceleration/energy drift too large 3.99231761831174
1157 12.8986251999848 split increased to 2 itime 225566
1159 acceleration/energy drift too large 5.03770169547065
1160 14.4393902079831 split increased to 2 itime 226145
1162 acceleration/energy drift too large 10.3554665602495
1163 51.5033654655858 split increased to 2 itime 228607
1165 Velocities reset to random values, time 45999.80
1166 acceleration/energy drift too large 8.05806531710266
1167 28.8555573947498 split increased to 2 itime 231119
1169 acceleration/energy drift too large 3.60727368031391
1170 22.0785135191138 split increased to 2 itime 234080
1172 acceleration/energy drift too large 1.70525784718388
1173 10.7413446217379 split increased to 2 itime 235449
1175 acceleration/energy drift too large 1.57628025985414
1176 11.1728863903929 split increased to 2 itime 235708
1178 acceleration/energy drift too large 3.79752381663291
1179 24.4572348002863 split increased to 2 itime 235813
1181 acceleration/energy drift too large 3.65596796870913
1182 23.1880298720412 split increased to 2 itime 238988
1184 acceleration/energy drift too large 2.71936314809597
1185 18.8825708665668 split increased to 2 itime 239232
1187 Velocities reset to random values, time 47999.80
1188 acceleration/energy drift too large 2.47032591107281
1189 10.9075046296878 split increased to 2 itime 245214
1191 acceleration/energy drift too large 6.68159249653997
1192 23.4360536297165 split increased to 2 itime 246124
1194 acceleration/energy drift too large 5.17277593040770
1195 11.4891680647349 split increased to 2 itime 249861
1197 Velocities reset to random values, time 49999.80
1198 acceleration/energy drift too large 5.15567827352112
1199 14.6234668383740 split increased to 2 itime 252279
1201 acceleration/energy drift too large 5.45218898768761
1202 19.6740849541865 split increased to 2 itime 253840
1204 acceleration/energy drift too large 4.27674928918327
1205 12.0560902957838 split increased to 2 itime 256317
1207 acceleration/energy drift too large 5.89510846708766
1208 20.1060453055151 split increased to 2 itime 257318
1210 Velocities reset to random values, time 51999.80
1211 acceleration/energy drift too large 5.92801510090747
1212 22.8305382087534 split increased to 2 itime 260439
1214 acceleration/energy drift too large 6.18507516147294
1215 19.0999571280660 split increased to 2 itime 263163
1217 acceleration/energy drift too large 7.24020986098480
1218 31.4291107757521 split increased to 2 itime 266460
1220 acceleration/energy drift too large 6.04665066325909
1221 13.2045410376898 split increased to 2 itime 266886
1223 acceleration/energy drift too large 4.66026841148865
1224 20.5167921658422 split increased to 2 itime 266956
1226 acceleration/energy drift too large 5.70423760883707
1227 15.4259467242031 split increased to 2 itime 268777
1229 acceleration/energy drift too large 7.53428887904614
1230 20.2300158871391 split increased to 2 itime 269194
1232 acceleration/energy drift too large 2.60621408685723
1233 16.3155411539841 split increased to 2 itime 269853
1235 Velocities reset to random values, time 53999.80
1236 acceleration/energy drift too large 5.74325060053348
1237 15.4945115980728 split increased to 2 itime 270770
1239 acceleration/energy drift too large 9.87939218979541
1240 33.7837453874661 split increased to 2 itime 276194
1242 acceleration/energy drift too large 5.21156391837195
1243 10.0979936026060 split increased to 2 itime 276527
1245 acceleration/energy drift too large 6.14672081204588
1246 16.5305278849373 split increased to 2 itime 277215
1248 acceleration/energy drift too large 8.62006136446299
1249 33.8226291806146 split increased to 2 itime 277544
1251 acceleration/energy drift too large 2.60884468541901
1252 12.7434801487574 split increased to 4 itime 277544
1254 acceleration/energy drift too large 5.16077804443159
1255 11.8794425656279 split increased to 2 itime 277758
1257 acceleration/energy drift too large 4.94426554045047
1258 14.8093307012506 split increased to 2 itime 277904
1260 Velocities reset to random values, time 55999.80
1261 acceleration/energy drift too large 7.17459655174860
1262 13.2412304825822 split increased to 2 itime 282778
1264 acceleration/energy drift too large 4.22641348778808
1265 10.1440059139484 split increased to 2 itime 284911
1267 acceleration/energy drift too large 4.64582996423248
1268 15.4837273910564 split increased to 2 itime 286473
1270 acceleration/energy drift too large 4.08595625781387
1271 11.1460974323839 split increased to 2 itime 286933
1273 acceleration/energy drift too large 2.19067749869458
1274 11.8843351515195 split increased to 2 itime 287486
1276 Velocities reset to random values, time 57999.80
1277 acceleration/energy drift too large 4.57648020139244
1278 12.5786733316445 split increased to 2 itime 290348
1280 acceleration/energy drift too large 5.80267876042894
1281 17.1998318064312 split increased to 2 itime 291055
1283 acceleration/energy drift too large 8.40274351953998
1284 39.4857927014631 split increased to 2 itime 292852
1286 acceleration/energy drift too large 8.53178193741574
1287 35.1859515915814 split increased to 2 itime 296389
1289 acceleration/energy drift too large 2.40076289210309
1290 18.2372146671887 split increased to 2 itime 296736
1292 acceleration/energy drift too large 1.66755721706243
1293 11.3829331634424 split increased to 2 itime 296804
1295 acceleration/energy drift too large 4.95069416582966
1296 16.5582299633402 split increased to 2 itime 297326
1298 acceleration/energy drift too large 5.44096351126932
1299 13.0203131736102 split increased to 2 itime 297849
1301 acceleration/energy drift too large 1.96041354960641
1302 13.2275501941364 split increased to 2 itime 299073
1304 Velocities reset to random values, time 59999.80
1305 REMD synchro at 300000
1306 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1308 REMD gather times= 124.101562500000 0.000000000000000E+000
1309 REMD writing rst time= 7.812500000000000E-003
1310 REMD writing traj time= 0.000000000000000E+000
1312 ACC 1 250.00000 0.16667 6
1313 ACC 2 260.00000 0.16667 6
1314 ACC 3 270.00000 0.66667 6
1315 ACC 4 280.00000 0.83333 6
1316 ACC 5 290.00000 0.83333 6
1317 ACC 6 300.00000 0.83333 6
1318 ACC 7 310.00000 0.66667 6
1319 ACC 8 320.00000 0.66667 6
1320 ACC 9 330.00000 0.66667 6
1321 ACC 10 340.00000 0.50000 6
1322 ACC 11 350.00000 1.00000 6
1323 ACC 12 360.00000 0.83333 6
1324 ACC 13 370.00000 0.83333 6
1325 ACC 14 380.00000 1.00000 6
1326 ACC 15 390.00000 1.00000 6
1327 REMD scatter time= 0.000000000000000E+000
1328 REMD exchange time= 7.812500000000000E-003
1329 acceleration/energy drift too large 11.8835850656472
1330 59.3605813372361 split increased to 2 itime 300687
1332 acceleration/energy drift too large 3.03188083380591
1333 20.0776219255604 split increased to 2 itime 302450
1335 acceleration/energy drift too large 7.18724375516662
1336 18.8235967892789 split increased to 2 itime 307116
1338 acceleration/energy drift too large 5.23440751513935
1339 15.5328261688308 split increased to 2 itime 307978
1341 acceleration/energy drift too large 5.18891311133133
1342 11.5486517135082 split increased to 2 itime 309048
1344 Velocities reset to random values, time 61999.80
1345 acceleration/energy drift too large 5.94596316829142
1346 15.6697169716881 split increased to 2 itime 310771
1348 acceleration/energy drift too large 4.50128909677026
1349 11.7188941428861 split increased to 2 itime 311184
1351 acceleration/energy drift too large 2.88727459001362
1352 17.0613881289454 split increased to 2 itime 315121
1354 acceleration/energy drift too large 5.99451845301504
1355 14.7446320304424 split increased to 2 itime 316666
1357 acceleration/energy drift too large 4.69555790040009
1358 10.2635773873968 split increased to 2 itime 316770
1360 acceleration/energy drift too large 5.61109984052246
1361 23.5248838504998 split increased to 2 itime 317009
1363 acceleration/energy drift too large 3.97626273882810
1364 10.7050158097533 split increased to 2 itime 318451
1366 acceleration/energy drift too large 3.93026888825868
1367 14.4340790296369 split increased to 2 itime 319151
1369 acceleration/energy drift too large 3.76885090296648
1370 18.0826927449576 split increased to 2 itime 319805
1372 Velocities reset to random values, time 63999.80
1373 acceleration/energy drift too large 4.08803942705843
1374 11.8205873394884 split increased to 2 itime 322007
1376 acceleration/energy drift too large 3.92579781793047
1377 15.7690873890693 split increased to 2 itime 323090
1379 acceleration/energy drift too large 4.27265135737032
1380 14.1668109960266 split increased to 2 itime 325937
1382 acceleration/energy drift too large 5.43768307623320
1383 23.9371557270110 split increased to 2 itime 328670
1385 acceleration/energy drift too large 4.21832835656375
1386 31.0777205779123 split increased to 2 itime 328707
1388 acceleration/energy drift too large 1.70192975547704
1389 10.4776889889865 split increased to 2 itime 328842
1391 Velocities reset to random values, time 65999.80
1392 acceleration/energy drift too large 2.00267703933908
1393 15.3628840282712 split increased to 2 itime 330736
1395 acceleration/energy drift too large 1.95149143561907
1396 12.0354335193892 split increased to 2 itime 331015
1398 acceleration/energy drift too large 8.50880094431559
1399 36.0291693574321 split increased to 2 itime 331576
1401 acceleration/energy drift too large 4.11280909622188
1402 12.6777598090510 split increased to 2 itime 332833
1404 acceleration/energy drift too large 2.22760588862768
1405 10.8649737769088 split increased to 2 itime 333353
1407 acceleration/energy drift too large 2.49037525269784
1408 14.4140412569917 split increased to 2 itime 333954
1410 acceleration/energy drift too large 9.35824594007578
1411 38.9619479321842 split increased to 2 itime 334287
1413 acceleration/energy drift too large 3.04840990182969
1414 11.3509207152102 split increased to 2 itime 335521
1416 acceleration/energy drift too large 3.61934285190469
1417 25.7081689100085 split increased to 2 itime 336824
1419 acceleration/energy drift too large 5.95062799615278
1420 17.9255368522967 split increased to 2 itime 339137
1422 Velocities reset to random values, time 67999.80
1423 acceleration/energy drift too large 3.45314811481441
1424 10.0210100363967 split increased to 2 itime 341392
1426 acceleration/energy drift too large 1.58845073930669
1427 10.6098090008530 split increased to 2 itime 341393
1429 acceleration/energy drift too large 6.21668524740143
1430 14.9376410344947 split increased to 2 itime 344017
1432 acceleration/energy drift too large 10.3177225098124
1433 50.2717257267007 split increased to 2 itime 345783
1435 acceleration/energy drift too large 6.39059870300033
1436 23.5681868470340 split increased to 2 itime 346085
1438 acceleration/energy drift too large 9.20679280045481
1439 37.6232587936596 split increased to 2 itime 347528
1441 acceleration/energy drift too large 6.59503915040581
1442 19.6680568385312 split increased to 2 itime 347864
1444 acceleration/energy drift too large 2.65626970328201
1445 10.9481060188250 split increased to 2 itime 347865
1447 acceleration/energy drift too large 5.49042150473414
1448 12.9021779746950 split increased to 2 itime 348025
1450 Velocities reset to random values, time 69999.80
1451 acceleration/energy drift too large 5.97944405569452
1452 20.1039031952161 split increased to 2 itime 351493
1454 acceleration/energy drift too large 15.2963949499821
1455 103.353946536942 split increased to 2 itime 352446
1457 acceleration/energy drift too large 3.06470587628376
1458 14.3345739538126 split increased to 2 itime 353215
1460 acceleration/energy drift too large 5.57433151031143
1461 38.2541405007332 split increased to 2 itime 353228
1463 acceleration/energy drift too large 5.39193319947123
1464 12.4747610144976 split increased to 2 itime 355975
1466 acceleration/energy drift too large 6.18131488988839
1467 12.9297812066157 split increased to 2 itime 356620
1469 acceleration/energy drift too large 6.22923911003962
1470 19.7207711455965 split increased to 2 itime 358243
1472 Velocities reset to random values, time 71999.80
1473 acceleration/energy drift too large 3.87235344064219
1474 10.1210735436387 split increased to 2 itime 360556
1476 acceleration/energy drift too large 2.86176734731506
1477 23.9901172813311 split increased to 2 itime 361159
1479 acceleration/energy drift too large 2.99764827998036
1480 11.5689534933833 split increased to 2 itime 362896
1482 acceleration/energy drift too large 5.58999297362174
1483 13.6066182154703 split increased to 2 itime 365252
1485 acceleration/energy drift too large 3.97199902684499
1486 22.5436941512342 split increased to 2 itime 365611
1488 acceleration/energy drift too large 4.21567840004456
1489 10.6009727213378 split increased to 2 itime 367534
1491 Velocities reset to random values, time 73999.80
1492 acceleration/energy drift too large 5.91942291413027
1493 20.7471231299233 split increased to 2 itime 370129
1495 acceleration/energy drift too large 6.25563074698015
1496 23.8579054180979 split increased to 2 itime 374181
1498 acceleration/energy drift too large 3.84134767331433
1499 12.1971843818663 split increased to 2 itime 374295
1501 acceleration/energy drift too large 4.24090764754051
1502 11.2489538446443 split increased to 2 itime 374597
1504 acceleration/energy drift too large 5.48727927291931
1505 33.2378616431118 split increased to 2 itime 375491
1507 acceleration/energy drift too large 4.14974596991423
1508 21.5975911906477 split increased to 2 itime 376451
1510 acceleration/energy drift too large 5.59031435196680
1511 10.2633124685847 split increased to 2 itime 377003
1513 acceleration/energy drift too large 3.73198654291689
1514 17.8973424463536 split increased to 2 itime 377712
1516 Velocities reset to random values, time 75999.80
1517 acceleration/energy drift too large 10.2393218649492
1518 59.1942278126544 split increased to 2 itime 380872
1520 acceleration/energy drift too large 3.20515871787138
1521 15.4418107051870 split increased to 2 itime 381099
1523 acceleration/energy drift too large 8.87256116114153
1524 39.4609076906812 split increased to 2 itime 381911
1526 acceleration/energy drift too large 3.64874574606788
1527 16.9939705715486 split increased to 2 itime 382370
1529 acceleration/energy drift too large 6.79420380742341
1530 29.8186737799615 split increased to 2 itime 382471
1532 acceleration/energy drift too large 10.3675808868022
1533 52.2640308590989 split increased to 2 itime 385042
1535 acceleration/energy drift too large 5.48088579585186
1536 10.0756626819146 split increased to 2 itime 385578
1538 acceleration/energy drift too large 2.09137444106022
1539 13.4934710508630 split increased to 2 itime 388224
1541 acceleration/energy drift too large 8.44874727981708
1542 31.8804504890599 split increased to 2 itime 389246
1544 Velocities reset to random values, time 77999.80
1545 acceleration/energy drift too large 5.23778880725004
1546 21.7315411929465 split increased to 2 itime 390309
1548 acceleration/energy drift too large 5.31767249130026
1549 11.6382724895183 split increased to 2 itime 393673
1551 acceleration/energy drift too large 4.35515625559030
1552 13.2041317374769 split increased to 2 itime 393899
1554 acceleration/energy drift too large 3.00916457256979
1555 19.9929199155991 split increased to 2 itime 395128
1557 acceleration/energy drift too large 7.18287904236072
1558 17.2442328139823 split increased to 2 itime 395629
1560 acceleration/energy drift too large 4.95402334956287
1561 10.5139037712410 split increased to 2 itime 396033
1563 acceleration/energy drift too large 8.65499609457530
1564 27.8476204575101 split increased to 2 itime 396532
1566 acceleration/energy drift too large 6.36182556517703
1567 21.8885867397166 split increased to 2 itime 396890
1569 acceleration/energy drift too large 2.86024237243479
1570 15.7876634364277 split increased to 4 itime 396890
1572 acceleration/energy drift too large 5.13634510980324
1573 18.5477778744243 split increased to 2 itime 397527
1575 Velocities reset to random values, time 79999.80
1576 REMD synchro at 400000
1577 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1579 REMD gather times= 165.867187500000 0.000000000000000E+000
1580 REMD writing rst time= 3.906250000000000E-003
1581 REMD writing traj time= 3.906250000000000E-003
1583 ACC 1 250.00000 0.25000 8
1584 ACC 2 260.00000 0.25000 8
1585 ACC 3 270.00000 0.62500 8
1586 ACC 4 280.00000 0.75000 8
1587 ACC 5 290.00000 0.75000 8
1588 ACC 6 300.00000 0.87500 8
1589 ACC 7 310.00000 0.62500 8
1590 ACC 8 320.00000 0.62500 8
1591 ACC 9 330.00000 0.75000 8
1592 ACC 10 340.00000 0.62500 8
1593 ACC 11 350.00000 0.87500 8
1594 ACC 12 360.00000 0.75000 8
1595 ACC 13 370.00000 0.62500 8
1596 ACC 14 380.00000 1.00000 8
1597 ACC 15 390.00000 0.87500 8
1598 REMD scatter time= 0.000000000000000E+000
1599 REMD exchange time= 7.812500000000000E-003
1600 acceleration/energy drift too large 4.08131104433865
1601 28.1214069943210 split increased to 2 itime 400520
1603 acceleration/energy drift too large 2.68546289740008
1604 19.2504803511104 split increased to 2 itime 401559
1606 acceleration/energy drift too large 3.65092498874972
1607 12.7372514704889 split increased to 2 itime 402250
1609 acceleration/energy drift too large 3.69529495445388
1610 10.5592900051384 split increased to 2 itime 402558
1612 acceleration/energy drift too large 8.58321631406168
1613 35.5301679067614 split increased to 2 itime 403454
1615 acceleration/energy drift too large 5.89506313455245
1616 22.5097543780549 split increased to 2 itime 404329
1618 acceleration/energy drift too large 2.42166556921768
1619 10.2095056219588 split increased to 2 itime 405408
1621 acceleration/energy drift too large 5.82335807818702
1622 10.8549644336888 split increased to 2 itime 406497
1624 acceleration/energy drift too large 6.09315136008160
1625 16.0551397541081 split increased to 2 itime 406736
1627 acceleration/energy drift too large 6.10829318400511
1628 30.0463360999633 split increased to 2 itime 407121
1630 acceleration/energy drift too large 6.79774409551392
1631 26.7507801989400 split increased to 2 itime 409603
1633 acceleration/energy drift too large 4.63909560024811
1634 11.1537360813933 split increased to 2 itime 409648
1636 Velocities reset to random values, time 81999.80
1637 acceleration/energy drift too large 3.44189022432154
1638 21.7710428922571 split increased to 2 itime 413946
1640 acceleration/energy drift too large 5.10165621132056
1641 12.5489215229761 split increased to 2 itime 413975
1643 acceleration/energy drift too large 3.68775356786942
1644 15.0518447274982 split increased to 2 itime 413976
1646 acceleration/energy drift too large 5.73712258860992
1647 28.4695493296148 split increased to 2 itime 414140
1649 acceleration/energy drift too large 5.57709538150628
1650 11.9589836077116 split increased to 2 itime 414583
1652 acceleration/energy drift too large 2.39252674362135
1653 17.6382499065707 split increased to 2 itime 416651
1655 acceleration/energy drift too large 4.63784037850490
1656 16.1308152674910 split increased to 2 itime 416711
1658 acceleration/energy drift too large 2.66129801062715
1659 10.0309315599572 split increased to 2 itime 419592
1661 acceleration/energy drift too large 2.77020354478237
1662 10.2650644471345 split increased to 2 itime 419919
1664 Velocities reset to random values, time 83999.80
1665 acceleration/energy drift too large 2.97696674649760
1666 17.7250677071281 split increased to 2 itime 421250
1668 acceleration/energy drift too large 2.96875111277707
1669 17.2227980858951 split increased to 2 itime 422059
1671 acceleration/energy drift too large 4.68122032429797
1672 26.9812980480402 split increased to 2 itime 423154
1674 acceleration/energy drift too large 2.26424666114932
1675 13.0007141827916 split increased to 2 itime 424789
1677 acceleration/energy drift too large 4.67513722974459
1678 12.0557143057046 split increased to 2 itime 425202
1680 acceleration/energy drift too large 2.71592608059469
1681 12.2888955798954 split increased to 2 itime 427298
1683 acceleration/energy drift too large 10.1089063652153
1684 46.1714055530536 split increased to 2 itime 427584
1686 acceleration/energy drift too large 5.14945938779930
1687 20.2003085866792 split increased to 2 itime 429063
1689 Velocities reset to random values, time 85999.80
1690 acceleration/energy drift too large 2.89783185551242
1691 23.2076019551570 split increased to 2 itime 431683
1693 acceleration/energy drift too large 5.65681766975093
1694 20.2744130535160 split increased to 2 itime 432934
1696 acceleration/energy drift too large 4.42669842749397
1697 11.0745023704507 split increased to 2 itime 433314
1699 acceleration/energy drift too large 2.64300034012740
1700 19.7197273095589 split increased to 2 itime 433909
1702 acceleration/energy drift too large 5.27669373346948
1703 17.2535025548032 split increased to 2 itime 434027
1705 acceleration/energy drift too large 4.19082813980399
1706 11.3353741850572 split increased to 2 itime 434266
1708 acceleration/energy drift too large 3.83123080852383
1709 22.5494514024701 split increased to 2 itime 434268
1711 acceleration/energy drift too large 13.3843247843890
1712 97.0198699757399 split increased to 2 itime 437216
1714 acceleration/energy drift too large 3.21453272257655
1715 24.0262884531644 split increased to 2 itime 437643
1717 acceleration/energy drift too large 5.58309206386641
1718 34.8731192386739 split increased to 2 itime 437865
1720 acceleration/energy drift too large 4.08927457417570
1721 18.8614037483303 split increased to 2 itime 439344
1723 Velocities reset to random values, time 87999.80
1724 acceleration/energy drift too large 2.84092081062721
1725 18.2818596292938 split increased to 2 itime 440902
1727 acceleration/energy drift too large 7.61378505729166
1728 27.9273058029887 split increased to 2 itime 441207
1730 acceleration/energy drift too large 6.71741245272129
1731 18.3666169032081 split increased to 2 itime 441498
1733 acceleration/energy drift too large 2.09797310899579
1734 15.8538736910526 split increased to 2 itime 441964
1736 acceleration/energy drift too large 4.79259265862290
1737 23.8624282961871 split increased to 2 itime 443290
1739 acceleration/energy drift too large 9.61283488733788
1740 42.2861471824891 split increased to 2 itime 446254
1742 acceleration/energy drift too large 5.80010767319744
1743 11.6594933889414 split increased to 2 itime 446677
1745 acceleration/energy drift too large 5.54363461747517
1746 11.3470711278185 split increased to 2 itime 447740
1748 Velocities reset to random values, time 89999.80
1749 acceleration/energy drift too large 2.19411944625419
1750 10.5867598635033 split increased to 2 itime 453246
1752 acceleration/energy drift too large 5.24153589803471
1753 13.1606676254627 split increased to 2 itime 453846
1755 acceleration/energy drift too large 3.53813905744832
1756 19.2476536725415 split increased to 2 itime 454556
1758 acceleration/energy drift too large 3.48911372254137
1759 21.6847586376759 split increased to 2 itime 454927
1761 acceleration/energy drift too large 10.4056972241836
1762 57.9255616918442 split increased to 2 itime 455339
1764 acceleration/energy drift too large 5.90589318946003
1765 15.6300978326363 split increased to 2 itime 456330
1767 acceleration/energy drift too large 4.45985492448762
1768 11.9203321288071 split increased to 2 itime 456530
1770 acceleration/energy drift too large 4.26928155884929
1771 12.0138039899545 split increased to 2 itime 456841
1773 acceleration/energy drift too large 4.68747752629654
1774 16.6195962770648 split increased to 2 itime 458999
1776 acceleration/energy drift too large 5.28483581931999
1777 20.3142444413269 split increased to 2 itime 459546
1779 acceleration/energy drift too large 6.21508537208734
1780 40.3172032563645 split increased to 2 itime 459736
1782 Velocities reset to random values, time 91999.80
1783 acceleration/energy drift too large 2.04425009165896
1784 15.4407702813567 split increased to 2 itime 460271
1786 acceleration/energy drift too large 8.72646906074623
1787 31.0150046007286 split increased to 2 itime 462796
1789 acceleration/energy drift too large 3.76270007579637
1790 13.7473479513912 split increased to 2 itime 465030
1792 acceleration/energy drift too large 5.81215140118286
1793 16.9247933799676 split increased to 2 itime 465151
1795 acceleration/energy drift too large 2.16165827062120
1796 11.8896945460193 split increased to 2 itime 466342
1798 acceleration/energy drift too large 2.44206101459086
1799 13.9903850053909 split increased to 2 itime 466870
1801 acceleration/energy drift too large 4.02120415915202
1802 21.6859134970394 split increased to 2 itime 467898
1804 acceleration/energy drift too large 3.87168348522190
1805 16.4798814083216 split increased to 2 itime 467943
1807 acceleration/energy drift too large 3.01339281786167
1808 10.6156224334280 split increased to 2 itime 468434
1810 acceleration/energy drift too large 4.94584161337681
1811 12.7515244987281 split increased to 2 itime 468441
1813 acceleration/energy drift too large 9.37809517237604
1814 33.0826214426526 split increased to 2 itime 468589
1816 acceleration/energy drift too large 3.01413489471433
1817 24.9640039243721 split increased to 2 itime 469009
1819 Velocities reset to random values, time 93999.80
1820 acceleration/energy drift too large 10.3896166341715
1821 53.8415749834004 split increased to 2 itime 471685
1823 acceleration/energy drift too large 4.45448289851289
1824 10.8729787504265 split increased to 2 itime 471820
1826 acceleration/energy drift too large 2.25622477190417
1827 15.5567641243196 split increased to 2 itime 472338
1829 acceleration/energy drift too large 6.92195296793394
1830 23.5797596205209 split increased to 2 itime 472831
1832 acceleration/energy drift too large 5.59436721052518
1833 17.6959900514576 split increased to 2 itime 472991
1835 acceleration/energy drift too large 2.78698486538341
1836 12.7112384526543 split increased to 2 itime 475631
1838 acceleration/energy drift too large 5.57423946814562
1839 14.2960297707255 split increased to 2 itime 475870
1841 acceleration/energy drift too large 4.72454624800943
1842 10.3231887148999 split increased to 2 itime 479609
1844 acceleration/energy drift too large 7.16693288846281
1845 23.4992816951361 split increased to 2 itime 479896
1847 Velocities reset to random values, time 95999.80
1848 acceleration/energy drift too large 9.58994641667122
1849 40.7844280188477 split increased to 2 itime 480049
1851 acceleration/energy drift too large 2.06188903875319
1852 12.2895571958580 split increased to 2 itime 480050
1854 acceleration/energy drift too large 7.49742729929865
1855 25.9150998948367 split increased to 2 itime 480670
1857 acceleration/energy drift too large 4.39415164043224
1858 14.1851658298882 split increased to 2 itime 480921
1860 acceleration/energy drift too large 3.92127864719573
1861 10.5919582119646 split increased to 2 itime 481710
1863 acceleration/energy drift too large 5.37594934608175
1864 10.4078903723203 split increased to 2 itime 484531
1866 acceleration/energy drift too large 2.69899722065388
1867 12.4817540714063 split increased to 2 itime 485014
1869 acceleration/energy drift too large 3.23076363681653
1870 14.4085071140903 split increased to 2 itime 485430
1872 acceleration/energy drift too large 3.59014128046676
1873 10.4310076618583 split increased to 2 itime 485633
1875 acceleration/energy drift too large 9.52306636646957
1876 45.1706982129731 split increased to 2 itime 485752
1878 acceleration/energy drift too large 4.32984886380681
1879 21.5592146709994 split increased to 2 itime 486544
1881 Velocities reset to random values, time 97999.80
1882 acceleration/energy drift too large 6.99897096133961
1883 22.3465353698062 split increased to 2 itime 490836
1885 acceleration/energy drift too large 6.08294740363342
1886 23.8878793681183 split increased to 2 itime 494465
1888 acceleration/energy drift too large 5.40740415215286
1889 22.0534182303298 split increased to 2 itime 495178
1891 acceleration/energy drift too large 6.51972053879967
1892 13.4453918384358 split increased to 2 itime 498272
1894 acceleration/energy drift too large 1.93706319042993
1895 10.3690093699879 split increased to 2 itime 498903
1897 Velocities reset to random values, time 99999.80
1898 REMD synchro at 500000
1899 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1901 REMD gather times= 206.769531250000 0.000000000000000E+000
1902 REMD writing rst time= 3.906250000000000E-003
1903 REMD writing traj time= 3.906250000000000E-003
1905 ACC 1 250.00000 0.30000 10
1906 ACC 2 260.00000 0.20000 10
1907 ACC 3 270.00000 0.60000 10
1908 ACC 4 280.00000 0.80000 10
1909 ACC 5 290.00000 0.70000 10
1910 ACC 6 300.00000 0.90000 10
1911 ACC 7 310.00000 0.60000 10
1912 ACC 8 320.00000 0.50000 10
1913 ACC 9 330.00000 0.80000 10
1914 ACC 10 340.00000 0.70000 10
1915 ACC 11 350.00000 0.80000 10
1916 ACC 12 360.00000 0.80000 10
1917 ACC 13 370.00000 0.60000 10
1918 ACC 14 380.00000 1.00000 10
1919 ACC 15 390.00000 0.90000 10
1920 REMD scatter time= 0.000000000000000E+000
1921 REMD exchange time= 7.812500000000000E-003
1922 acceleration/energy drift too large 2.73779437149400
1923 13.7042452529319 split increased to 2 itime 502437
1925 acceleration/energy drift too large 8.92676375386783
1926 34.3730580914860 split increased to 2 itime 505769
1928 acceleration/energy drift too large 3.17870217561276
1929 13.2574384589638 split increased to 2 itime 506721
1931 acceleration/energy drift too large 5.45352126749485
1932 11.1034727871275 split increased to 2 itime 507313
1934 acceleration/energy drift too large 4.77983446875819
1935 16.4391412026538 split increased to 2 itime 507612
1937 acceleration/energy drift too large 5.22337562803196
1938 15.4898404810955 split increased to 2 itime 509048
1940 acceleration/energy drift too large 5.73452479788637
1941 13.9017423021263 split increased to 2 itime 509216
1943 acceleration/energy drift too large 3.01895127368496
1944 10.7312036900092 split increased to 2 itime 509794
1946 Velocities reset to random values, time 101999.80
1947 acceleration/energy drift too large 4.24098171167066
1948 13.8707299083046 split increased to 2 itime 510270
1950 acceleration/energy drift too large 3.58514130334633
1951 13.5889827814111 split increased to 2 itime 510532
1953 acceleration/energy drift too large 4.61878397799056
1954 24.8229884465746 split increased to 2 itime 511343
1956 acceleration/energy drift too large 13.2303902550074
1957 81.6156018691102 split increased to 2 itime 511988
1959 acceleration/energy drift too large 3.94365997870155
1960 13.7675694047874 split increased to 2 itime 512122
1962 acceleration/energy drift too large 10.5156904941394
1963 33.4604926752452 split increased to 2 itime 512664
1965 acceleration/energy drift too large 6.18409968291872
1966 17.1960113597582 split increased to 2 itime 513527
1968 acceleration/energy drift too large 2.68090931151968
1969 11.2637218207440 split increased to 2 itime 515123
1971 acceleration/energy drift too large 4.80604846241625
1972 14.0350195957669 split increased to 2 itime 515611
1974 acceleration/energy drift too large 4.66509978160827
1975 15.8018652207700 split increased to 2 itime 516366
1977 acceleration/energy drift too large 4.59552571661929
1978 14.8933253791265 split increased to 2 itime 517839
1980 acceleration/energy drift too large 8.09975270056622
1981 30.9755867545556 split increased to 2 itime 518672
1983 acceleration/energy drift too large 10.3978015559707
1984 52.4503095829216 split increased to 2 itime 519283
1986 acceleration/energy drift too large 7.09341611400089
1987 16.0403702332936 split increased to 2 itime 519923
1989 Velocities reset to random values, time 103999.80
1990 acceleration/energy drift too large 2.39647937906399
1991 14.8000252997061 split increased to 2 itime 520034
1993 acceleration/energy drift too large 4.13324535479762
1994 12.4242500132600 split increased to 2 itime 520238
1996 acceleration/energy drift too large 4.29368500932871
1997 17.9139191035096 split increased to 2 itime 521292
1999 acceleration/energy drift too large 3.40288322546732
2000 11.1699337249036 split increased to 2 itime 521941
2002 acceleration/energy drift too large 5.86127208064540
2003 21.5475122168981 split increased to 2 itime 523007
2005 acceleration/energy drift too large 6.48003821181801
2006 12.4616890128783 split increased to 2 itime 523235
2008 acceleration/energy drift too large 4.26770150397311
2009 10.4731894279542 split increased to 2 itime 523372
2011 acceleration/energy drift too large 3.57543545320117
2012 11.0745750833288 split increased to 2 itime 524193
2014 acceleration/energy drift too large 2.15091910476234
2015 11.1362747835414 split increased to 2 itime 524270
2017 acceleration/energy drift too large 2.92315785523942
2018 15.4141166957378 split increased to 2 itime 525376
2020 acceleration/energy drift too large 2.86526795238280
2021 10.9832820574567 split increased to 2 itime 525708
2023 acceleration/energy drift too large 4.27820140216715
2024 22.1539414461780 split increased to 2 itime 525709
2026 acceleration/energy drift too large 0.973987471568014
2027 10.2739248935335 split increased to 2 itime 525741
2029 acceleration/energy drift too large 3.47307217571836
2030 10.1972649570678 split increased to 2 itime 525752
2032 acceleration/energy drift too large 3.02448643736156
2033 13.8157094429412 split increased to 2 itime 525915
2035 acceleration/energy drift too large 2.77223477219073
2036 21.0148696987104 split increased to 2 itime 525916
2038 acceleration/energy drift too large 6.02273308155385
2039 13.0049229654569 split increased to 2 itime 526051
2041 acceleration/energy drift too large 4.33031213551804
2042 11.6584020723687 split increased to 2 itime 526405
2044 acceleration/energy drift too large 2.89987660969666
2045 10.2115294208513 split increased to 2 itime 526791
2047 acceleration/energy drift too large 5.52372885536780
2048 13.5535612140281 split increased to 2 itime 528993
2050 Velocities reset to random values, time 105999.80
2051 acceleration/energy drift too large 3.70275636200919
2052 13.4710861934146 split increased to 2 itime 530474
2054 acceleration/energy drift too large 2.41571166696613
2055 12.4602175693832 split increased to 2 itime 530858
2057 acceleration/energy drift too large 2.68349680397989
2058 12.1152426457625 split increased to 2 itime 531249
2060 acceleration/energy drift too large 8.77758438657475
2061 37.8439925956811 split increased to 2 itime 533008
2063 acceleration/energy drift too large 6.89339877829263
2064 21.7218260282651 split increased to 2 itime 533631
2066 acceleration/energy drift too large 3.27003317336367
2067 11.2969528184949 split increased to 2 itime 533632
2069 acceleration/energy drift too large 3.21117952990719
2070 15.9270185873155 split increased to 2 itime 534114
2072 acceleration/energy drift too large 4.11978610302706
2073 10.2979167192968 split increased to 2 itime 535361
2075 acceleration/energy drift too large 4.67166826625491
2076 14.8946478841010 split increased to 2 itime 536759
2078 acceleration/energy drift too large 5.58771635661948
2079 13.4983520798147 split increased to 2 itime 538072
2081 acceleration/energy drift too large 5.67939528348656
2082 14.7626563059495 split increased to 2 itime 538922
2084 acceleration/energy drift too large 3.67716290810597
2085 10.4469947285147 split increased to 2 itime 539096
2087 Velocities reset to random values, time 107999.80
2088 acceleration/energy drift too large 5.98249217089775
2089 16.2681936870645 split increased to 2 itime 540086
2091 acceleration/energy drift too large 4.77919757657508
2092 20.8551686810403 split increased to 2 itime 540115
2094 acceleration/energy drift too large 2.32227318681514
2095 10.7568571871876 split increased to 2 itime 540346
2097 acceleration/energy drift too large 9.07865693339212
2098 43.1400048375336 split increased to 2 itime 540569
2100 acceleration/energy drift too large 4.47200704294252
2101 12.6234219067852 split increased to 2 itime 540607
2103 acceleration/energy drift too large 6.28151566451018
2104 28.0760975183786 split increased to 2 itime 541808
2106 acceleration/energy drift too large 5.24540037412473
2107 17.8347197786324 split increased to 2 itime 541812
2109 acceleration/energy drift too large 2.96884080837995
2110 18.6125200481597 split increased to 2 itime 542954
2112 acceleration/energy drift too large 3.55964969473170
2113 10.6880795424455 split increased to 2 itime 543072
2115 acceleration/energy drift too large 7.22762546435958
2116 19.5068981460213 split increased to 2 itime 544650
2118 acceleration/energy drift too large 4.73231833786203
2119 11.3983392091166 split increased to 2 itime 546478
2121 acceleration/energy drift too large 7.18463896191423
2122 22.9634768465345 split increased to 2 itime 548340
2124 acceleration/energy drift too large 8.32539664982766
2125 31.3709421649855 split increased to 2 itime 548949
2127 Velocities reset to random values, time 109999.80
2128 acceleration/energy drift too large 2.26466889492993
2129 14.7346518116248 split increased to 2 itime 550130
2131 acceleration/energy drift too large 2.17718572580954
2132 10.7152320023957 split increased to 2 itime 550305
2134 acceleration/energy drift too large 5.66823796957432
2135 24.1623378667029 split increased to 2 itime 552142
2137 acceleration/energy drift too large 4.72338143136115
2138 18.0162489470414 split increased to 2 itime 555455
2140 acceleration/energy drift too large 1.21814115993528
2141 10.6557817486501 split increased to 2 itime 555456
2143 acceleration/energy drift too large 4.71873874217820
2144 12.3045997542898 split increased to 2 itime 556735
2146 acceleration/energy drift too large 2.81864181280901
2147 10.7578415287717 split increased to 2 itime 557254
2149 acceleration/energy drift too large 5.38880875585498
2150 10.9436705870048 split increased to 2 itime 558322
2152 acceleration/energy drift too large 5.25018694787945
2153 16.1244969217503 split increased to 2 itime 558825
2155 acceleration/energy drift too large 3.51199583606620
2156 22.0186433413395 split increased to 2 itime 559533
2158 Velocities reset to random values, time 111999.80
2159 acceleration/energy drift too large 4.77525032659885
2160 17.3570393117425 split increased to 2 itime 560152
2162 acceleration/energy drift too large 4.52364989727569
2163 25.7705556381578 split increased to 2 itime 560454
2165 acceleration/energy drift too large 3.82043543989368
2166 32.6071138534380 split increased to 2 itime 560856
2168 acceleration/energy drift too large 7.07007806179116
2169 34.6319487991988 split increased to 2 itime 560882
2171 acceleration/energy drift too large 5.07201300847438
2172 11.5321401734334 split increased to 2 itime 560972
2174 acceleration/energy drift too large 9.41746917352430
2175 42.4261388221302 split increased to 2 itime 561044
2177 acceleration/energy drift too large 2.45719993108579
2178 18.2177606644448 split increased to 2 itime 561045
2180 acceleration/energy drift too large 4.11245820046070
2181 15.0806991924647 split increased to 2 itime 562198
2183 acceleration/energy drift too large 4.38648055271156
2184 17.9415976419972 split increased to 2 itime 562861
2186 acceleration/energy drift too large 4.56956996152755
2187 12.8363047721838 split increased to 2 itime 563277
2189 acceleration/energy drift too large 5.68343818585799
2190 13.7260979365542 split increased to 2 itime 563331
2192 acceleration/energy drift too large 4.53254443278119
2193 16.2112364416784 split increased to 2 itime 564928
2195 acceleration/energy drift too large 4.65429783387595
2196 19.7944729571123 split increased to 2 itime 565795
2198 acceleration/energy drift too large 5.39440195026612
2199 28.4885176569247 split increased to 2 itime 566161
2201 acceleration/energy drift too large 10.6183688712963
2202 43.2355563358334 split increased to 2 itime 566444
2204 acceleration/energy drift too large 5.08037841573996
2205 13.3624995456930 split increased to 2 itime 567423
2207 acceleration/energy drift too large 3.45423612561341
2208 23.1607365253115 split increased to 2 itime 567900
2210 acceleration/energy drift too large 3.67477965825423
2211 16.4053479040359 split increased to 2 itime 567961
2213 acceleration/energy drift too large 6.92070055837482
2214 13.1209837779539 split increased to 2 itime 568164
2216 acceleration/energy drift too large 1.99306230078888
2217 11.1972243208649 split increased to 2 itime 568857
2219 acceleration/energy drift too large 2.60812848850784
2220 11.0977367348434 split increased to 2 itime 569587
2222 Velocities reset to random values, time 113999.80
2223 acceleration/energy drift too large 6.28172894596124
2224 11.2712082102487 split increased to 2 itime 570005
2226 acceleration/energy drift too large 4.13233596187048
2227 19.1027698226643 split increased to 2 itime 572060
2229 acceleration/energy drift too large 5.07142743836596
2230 10.0105242034786 split increased to 2 itime 576537
2232 acceleration/energy drift too large 4.78234998724306
2233 28.3637842214095 split increased to 2 itime 576766
2235 acceleration/energy drift too large 7.85647226617631
2236 33.9096284304355 split increased to 2 itime 577827
2238 acceleration/energy drift too large 12.1547666968091
2239 61.5552743439312 split increased to 2 itime 578165
2241 acceleration/energy drift too large 5.60545467241018
2242 12.8911474229217 split increased to 2 itime 578294
2244 acceleration/energy drift too large 5.28724211735095
2245 15.0235032714999 split increased to 2 itime 579476
2247 Velocities reset to random values, time 115999.80
2248 acceleration/energy drift too large 4.92922965632018
2249 11.8603665701726 split increased to 2 itime 580181
2251 acceleration/energy drift too large 4.46550576324055
2252 21.4281685054746 split increased to 2 itime 580330
2254 acceleration/energy drift too large 9.76432722024679
2255 41.8692898231217 split increased to 2 itime 583975
2257 acceleration/energy drift too large 6.13619205016591
2258 23.5295855051616 split increased to 2 itime 584053
2260 acceleration/energy drift too large 5.18273644482176
2261 10.5043036926326 split increased to 2 itime 584058
2263 acceleration/energy drift too large 5.93598969960208
2264 27.4274710032168 split increased to 2 itime 584505
2266 acceleration/energy drift too large 5.53944690650803
2267 23.2831330385874 split increased to 2 itime 585031
2269 acceleration/energy drift too large 4.93526147090713
2270 28.6609024456121 split increased to 2 itime 585720
2272 acceleration/energy drift too large 7.49020620161100
2273 11.1566603817866 split increased to 2 itime 586060
2275 acceleration/energy drift too large 8.51949685575566
2276 23.9195135922850 split increased to 2 itime 586207
2278 acceleration/energy drift too large 6.72631274834742
2279 18.0245772265330 split increased to 2 itime 586255
2281 acceleration/energy drift too large 10.9772059466190
2282 52.3850210891664 split increased to 2 itime 586271
2284 acceleration/energy drift too large 3.48170788648421
2285 21.2732599466495 split increased to 2 itime 588402
2287 acceleration/energy drift too large 4.66058414765870
2288 25.6568673378139 split increased to 2 itime 589444
2290 acceleration/energy drift too large 5.89327729894395
2291 12.2381292016813 split increased to 2 itime 589560
2293 Velocities reset to random values, time 117999.80
2294 acceleration/energy drift too large 3.00030800947840
2295 18.9623731678106 split increased to 2 itime 591034
2297 acceleration/energy drift too large 4.70606209721646
2298 15.4517098276840 split increased to 2 itime 591331
2300 acceleration/energy drift too large 3.27422476910192
2301 12.9785460637501 split increased to 2 itime 591332
2303 acceleration/energy drift too large 5.31096362913954
2304 11.8983323477478 split increased to 2 itime 591978
2306 acceleration/energy drift too large 4.80816018632338
2307 22.8806385435214 split increased to 2 itime 593075
2309 acceleration/energy drift too large 4.94943194016466
2310 28.8570977704755 split increased to 2 itime 598368
2312 acceleration/energy drift too large 4.84183126113497
2313 25.7807680143686 split increased to 2 itime 598458
2315 acceleration/energy drift too large 7.74343932153576
2316 24.0554717752143 split increased to 2 itime 599415
2318 acceleration/energy drift too large 5.97341098091524
2319 48.7993556690080 split increased to 2 itime 599443
2321 acceleration/energy drift too large 1.37476309967977
2322 10.2693332351367 split increased to 4 itime 599443
2324 Velocities reset to random values, time 119999.80
2325 REMD synchro at 600000
2326 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2328 REMD gather times= 248.367187500000 0.000000000000000E+000
2329 REMD writing rst time= 3.906250000000000E-003
2330 REMD writing traj time= 3.906250000000000E-003
2332 ACC 1 250.00000 0.41667 12
2333 ACC 2 260.00000 0.16667 12
2334 ACC 3 270.00000 0.66667 12
2335 ACC 4 280.00000 0.75000 12
2336 ACC 5 290.00000 0.66667 12
2337 ACC 6 300.00000 0.83333 12
2338 ACC 7 310.00000 0.66667 12
2339 ACC 8 320.00000 0.50000 12
2340 ACC 9 330.00000 0.75000 12
2341 ACC 10 340.00000 0.58333 12
2342 ACC 11 350.00000 0.83333 12
2343 ACC 12 360.00000 0.83333 12
2344 ACC 13 370.00000 0.66667 12
2345 ACC 14 380.00000 1.00000 12
2346 ACC 15 390.00000 0.91667 12
2347 REMD scatter time= 0.000000000000000E+000
2348 REMD exchange time= 7.812500000000000E-003
2349 acceleration/energy drift too large 6.25754695601952
2350 16.0138492056977 split increased to 2 itime 600975
2352 acceleration/energy drift too large 3.25174991181445
2353 12.0550990148146 split increased to 2 itime 600992
2355 acceleration/energy drift too large 12.3319863554273
2356 71.6417017996117 split increased to 2 itime 601216
2358 acceleration/energy drift too large 6.25151631607253
2359 21.8765548204327 split increased to 2 itime 602298
2361 acceleration/energy drift too large 8.63609835663977
2362 36.3026138271237 split increased to 2 itime 603041
2364 acceleration/energy drift too large 8.60251448226929
2365 34.3979732941485 split increased to 2 itime 603163
2367 acceleration/energy drift too large 4.95134287218677
2368 14.7499243340670 split increased to 2 itime 604436
2370 acceleration/energy drift too large 2.28267096421602
2371 13.7541501907709 split increased to 2 itime 604998
2373 acceleration/energy drift too large 7.83944263263716
2374 28.0577344302289 split increased to 2 itime 605000
2376 acceleration/energy drift too large 6.62004344972939
2377 50.7128989712119 split increased to 2 itime 605202
2379 acceleration/energy drift too large 1.66239150994189
2380 12.2246505708942 split increased to 4 itime 605202
2382 acceleration/energy drift too large 4.46922322511910
2383 26.4172622085791 split increased to 2 itime 605903
2385 acceleration/energy drift too large 3.56815604225865
2386 34.7819824336585 split increased to 2 itime 605907
2388 acceleration/energy drift too large 4.34038675391365
2389 22.9625423136930 split increased to 2 itime 605908
2391 acceleration/energy drift too large 5.12439612206967
2392 12.8560558237277 split increased to 2 itime 605983
2394 acceleration/energy drift too large 10.2070435174598
2395 53.0745108984771 split increased to 2 itime 606191
2397 acceleration/energy drift too large 2.49345997190288
2398 12.9109411539299 split increased to 4 itime 606191
2400 acceleration/energy drift too large 3.57573247638144
2401 13.3291307634903 split increased to 2 itime 606440
2403 acceleration/energy drift too large 4.25532031284735
2404 11.7143305137870 split increased to 2 itime 607540
2406 acceleration/energy drift too large 4.76461993962858
2407 28.5691397689605 split increased to 2 itime 607562
2409 acceleration/energy drift too large 3.85460790591855
2410 16.2444585238539 split increased to 2 itime 607590
2412 acceleration/energy drift too large 3.64765651925315
2413 10.7113929610203 split increased to 2 itime 607755
2415 acceleration/energy drift too large 6.21296939623000
2416 30.0296721727243 split increased to 2 itime 608048
2418 acceleration/energy drift too large 2.48037796460787
2419 11.7610928969634 split increased to 2 itime 608086
2421 acceleration/energy drift too large 2.78709775318731
2422 10.4327571196836 split increased to 2 itime 608221
2424 acceleration/energy drift too large 4.28793301306952
2425 13.2853518882747 split increased to 2 itime 608480
2427 acceleration/energy drift too large 7.34175924172900
2428 23.8992907548958 split increased to 2 itime 609591
2430 acceleration/energy drift too large 2.35604254849620
2431 13.6989367907869 split increased to 2 itime 609804
2433 Velocities reset to random values, time 121999.80
2434 acceleration/energy drift too large 2.23073242682005
2435 13.2884722954553 split increased to 2 itime 610143
2437 acceleration/energy drift too large 4.60247782431103
2438 15.1902279665381 split increased to 2 itime 611002
2440 acceleration/energy drift too large 1.89120048049976
2441 12.6818570236140 split increased to 2 itime 611003
2443 acceleration/energy drift too large 3.73325672849185
2444 22.3064888639184 split increased to 2 itime 611807
2446 acceleration/energy drift too large 8.35585347043471
2447 34.7076259246126 split increased to 2 itime 612000
2449 acceleration/energy drift too large 1.38971879403589
2450 11.7651402071369 split increased to 2 itime 612001
2452 acceleration/energy drift too large 2.78978626180830
2453 19.3385754660593 split increased to 2 itime 612857
2455 acceleration/energy drift too large 10.5728475675563
2456 54.8655375689583 split increased to 2 itime 613125
2458 acceleration/energy drift too large 5.78335799316959
2459 15.2599184361043 split increased to 2 itime 613661
2461 acceleration/energy drift too large 6.81465661008858
2462 17.2129199407860 split increased to 2 itime 614402
2464 acceleration/energy drift too large 6.45535852359543
2465 12.4561185889454 split increased to 2 itime 614448
2467 acceleration/energy drift too large 4.29347696641623
2468 12.6176394806597 split increased to 2 itime 614525
2470 acceleration/energy drift too large 5.85673512317867
2471 12.3331535839340 split increased to 2 itime 615027
2473 acceleration/energy drift too large 9.37493821680777
2474 18.2143744448797 split increased to 2 itime 615028
2476 acceleration/energy drift too large 10.3102338783809
2477 53.7544533773782 split increased to 2 itime 615037
2479 acceleration/energy drift too large 9.16679508179453
2480 39.2153933201181 split increased to 2 itime 615795
2482 acceleration/energy drift too large 3.78382215052233
2483 31.9648666740243 split increased to 2 itime 616217
2485 acceleration/energy drift too large 15.4752934626938
2486 69.3784821315056 split increased to 2 itime 617539
2488 acceleration/energy drift too large 3.16679187772658
2489 10.8469354081524 split increased to 2 itime 617795
2491 acceleration/energy drift too large 4.26131033939983
2492 19.5691117336311 split increased to 2 itime 617938
2494 acceleration/energy drift too large 6.27560260663197
2495 10.5131592949516 split increased to 2 itime 618323
2497 acceleration/energy drift too large 5.74578890944388
2498 22.3583387751031 split increased to 2 itime 618521
2500 acceleration/energy drift too large 7.00726666413875
2501 24.1058400897520 split increased to 2 itime 618596
2503 acceleration/energy drift too large 17.7138168462027
2504 101.247922258645 split increased to 2 itime 618668
2506 acceleration/energy drift too large 4.55320871021421
2507 26.9304761145780 split increased to 4 itime 618668
2509 acceleration/energy drift too large 3.61468688004105
2510 12.2901039955406 split increased to 2 itime 619019
2512 acceleration/energy drift too large 11.8535324647124
2513 67.9230414874380 split increased to 2 itime 619052
2515 acceleration/energy drift too large 2.82890558233372
2516 16.0632128021099 split increased to 4 itime 619052
2518 acceleration/energy drift too large 5.24726174362651
2519 19.3357497549723 split increased to 2 itime 619445
2521 acceleration/energy drift too large 7.40759773403780
2522 16.1497113697539 split increased to 2 itime 619940
2524 Velocities reset to random values, time 123999.80
2525 acceleration/energy drift too large 4.61281068663170
2526 13.3610025264939 split increased to 2 itime 620002
2528 acceleration/energy drift too large 7.34373576827458
2529 14.8394865742088 split increased to 2 itime 620586
2531 acceleration/energy drift too large 2.71735752984788
2532 25.0945308135358 split increased to 2 itime 621783
2534 acceleration/energy drift too large 2.58777998840925
2535 11.4619099291705 split increased to 2 itime 622120
2537 acceleration/energy drift too large 6.55602809534122
2538 34.2219751637132 split increased to 2 itime 622167
2540 acceleration/energy drift too large 5.04860873994601
2541 16.8609309840067 split increased to 2 itime 623443
2543 acceleration/energy drift too large 10.0064370227291
2544 45.2458059724488 split increased to 2 itime 623680
2546 acceleration/energy drift too large 2.15901251155502
2547 10.6571525717496 split increased to 2 itime 623791
2549 acceleration/energy drift too large 4.27762630948463
2550 14.5709551524407 split increased to 2 itime 623793
2552 acceleration/energy drift too large 4.58889291725837
2553 14.2957309506940 split increased to 2 itime 623970
2555 acceleration/energy drift too large 5.26103380848589
2556 10.6162014271031 split increased to 2 itime 624188
2558 acceleration/energy drift too large 2.92413424083488
2559 14.6043235682637 split increased to 2 itime 625715
2561 acceleration/energy drift too large 5.05806167116464
2562 18.2217928754235 split increased to 2 itime 625990
2564 acceleration/energy drift too large 4.98250238317497
2565 11.7229564869578 split increased to 2 itime 626303
2567 acceleration/energy drift too large 4.74658966537367
2568 10.9677800534330 split increased to 2 itime 627881
2570 acceleration/energy drift too large 8.68585246123989
2571 22.4625026217366 split increased to 2 itime 628038
2573 acceleration/energy drift too large 6.13159924740396
2574 15.5249058036236 split increased to 2 itime 628482
2576 acceleration/energy drift too large 15.5992483537993
2577 77.7324895343476 split increased to 2 itime 628669
2579 acceleration/energy drift too large 8.26938046478706
2580 31.0927882180708 split increased to 2 itime 628767
2582 acceleration/energy drift too large 4.50418472045375
2583 23.4801428375969 split increased to 2 itime 629607
2585 acceleration/energy drift too large 3.41999600473549
2586 13.7792186998930 split increased to 2 itime 629715
2588 Velocities reset to random values, time 125999.80
2589 acceleration/energy drift too large 5.03449400802504
2590 28.7422167096999 split increased to 2 itime 631056
2592 acceleration/energy drift too large 5.57155139157944
2593 21.9129303963323 split increased to 2 itime 631893
2595 acceleration/energy drift too large 4.39099602346958
2596 12.2343994016366 split increased to 2 itime 632023
2598 acceleration/energy drift too large 12.4693925353863
2599 63.6582093229182 split increased to 2 itime 632121
2601 acceleration/energy drift too large 4.67203082448706
2602 14.2071918329760 split increased to 2 itime 632191
2604 acceleration/energy drift too large 4.59910855946983
2605 21.0772021116032 split increased to 2 itime 632375
2607 acceleration/energy drift too large 3.22145382098193
2608 17.7117307941751 split increased to 2 itime 632509
2610 acceleration/energy drift too large 3.08755073441423
2611 12.7826819184458 split increased to 2 itime 633356
2613 acceleration/energy drift too large 6.66042233571607
2614 26.2620896744813 split increased to 2 itime 633626
2616 acceleration/energy drift too large 3.97185444107807
2617 23.6478393886705 split increased to 2 itime 633903
2619 acceleration/energy drift too large 5.77241667580570
2620 17.1748855819711 split increased to 2 itime 633949
2622 acceleration/energy drift too large 4.64482397370444
2623 19.8304872303560 split increased to 2 itime 634704
2625 acceleration/energy drift too large 3.68931892751294
2626 12.0639327743879 split increased to 2 itime 634809
2628 acceleration/energy drift too large 14.6035450979379
2629 77.5595625943338 split increased to 2 itime 634956
2631 acceleration/energy drift too large 2.76654006098027
2632 12.2562888872987 split increased to 4 itime 634956
2634 acceleration/energy drift too large 10.4973631985309
2635 50.4338624550633 split increased to 2 itime 635596
2637 acceleration/energy drift too large 2.65927462498442
2638 13.2725300250988 split increased to 4 itime 635596
2640 acceleration/energy drift too large 16.9345762685632
2641 80.3946911566731 split increased to 2 itime 636196
2643 acceleration/energy drift too large 3.52277443468522
2644 14.5400653761354 split increased to 4 itime 636196
2646 acceleration/energy drift too large 9.47748468759106
2647 40.4111345876325 split increased to 2 itime 636822
2649 acceleration/energy drift too large 2.39681730586056
2650 10.2977279545475 split increased to 4 itime 636822
2652 acceleration/energy drift too large 6.03028562793473
2653 31.2746718014368 split increased to 2 itime 636975
2655 acceleration/energy drift too large 3.40481718430390
2656 22.8278404282965 split increased to 2 itime 638790
2658 acceleration/energy drift too large 6.73002467562677
2659 11.9141295367997 split increased to 2 itime 638987
2661 Velocities reset to random values, time 127999.80
2662 acceleration/energy drift too large 3.98175252438783
2663 10.2917524815949 split increased to 2 itime 640019
2665 acceleration/energy drift too large 6.79757148910487
2666 13.8348662532623 split increased to 2 itime 640231
2668 acceleration/energy drift too large 8.00915343075990
2669 22.0738465078218 split increased to 2 itime 640277
2671 acceleration/energy drift too large 3.91266132812530
2672 11.9369064925071 split increased to 2 itime 640296
2674 acceleration/energy drift too large 3.22851326933295
2675 10.3607228423339 split increased to 2 itime 640300
2677 acceleration/energy drift too large 5.73429033103735
2678 12.4491087336185 split increased to 2 itime 640471
2680 acceleration/energy drift too large 6.11086242511048
2681 24.9213039169619 split increased to 2 itime 640631
2683 acceleration/energy drift too large 7.22598447497305
2684 16.5604493187080 split increased to 2 itime 640681
2686 acceleration/energy drift too large 14.1894928413524
2687 62.7618145737475 split increased to 2 itime 640962
2689 acceleration/energy drift too large 3.62329406771329
2690 16.0700551189854 split increased to 4 itime 640962
2692 acceleration/energy drift too large 3.42122869387669
2693 11.2231233514544 split increased to 2 itime 641041
2695 acceleration/energy drift too large 3.00276085415953
2696 21.1159239383801 split increased to 2 itime 641353
2698 acceleration/energy drift too large 2.99971789979545
2699 13.2195348311053 split increased to 2 itime 641357
2701 acceleration/energy drift too large 6.24077546962863
2702 25.1056089413894 split increased to 2 itime 642481
2704 acceleration/energy drift too large 3.67728639548230
2705 16.7744147609823 split increased to 2 itime 642633
2707 acceleration/energy drift too large 4.37370556165024
2708 10.4741172758471 split increased to 2 itime 642644
2710 acceleration/energy drift too large 1.55725923554902
2711 13.6925817338256 split increased to 2 itime 643488
2713 acceleration/energy drift too large 2.86169899824971
2714 12.2327401660200 split increased to 2 itime 643586
2716 acceleration/energy drift too large 11.3785494097924
2717 60.0756999535705 split increased to 2 itime 645678
2719 acceleration/energy drift too large 2.49108326243160
2720 12.1734851098433 split increased to 4 itime 645678
2722 acceleration/energy drift too large 4.74749423461805
2723 12.8307181304668 split increased to 2 itime 647087
2725 acceleration/energy drift too large 5.58180536363731
2726 16.6679035142346 split increased to 2 itime 647593
2728 acceleration/energy drift too large 17.1724466865508
2729 113.567449114696 split increased to 2 itime 649068
2731 acceleration/energy drift too large 2.91463226374264
2732 18.8877731971016 split increased to 4 itime 649068
2734 acceleration/energy drift too large 9.73044598716956
2735 53.6852826646586 split increased to 2 itime 649667
2737 acceleration/energy drift too large 5.99619247055488
2738 23.7624336633405 split increased to 2 itime 649999
2740 Velocities reset to random values, time 129999.80
2741 acceleration/energy drift too large 4.62535878963817
2742 27.4696798603177 split increased to 2 itime 650344
2744 acceleration/energy drift too large 3.73293135178210
2745 27.5178361182993 split increased to 2 itime 650978
2747 acceleration/energy drift too large 5.34322696411000
2748 32.4767098829050 split increased to 2 itime 652742
2750 acceleration/energy drift too large 3.12061448278396
2751 20.1713319381800 split increased to 2 itime 656414
2753 acceleration/energy drift too large 10.4783122146943
2754 48.9719079925684 split increased to 2 itime 657555
2756 acceleration/energy drift too large 2.41371230094004
2757 14.5809220120447 split increased to 2 itime 659872
2759 Velocities reset to random values, time 131999.80
2760 acceleration/energy drift too large 4.78850153589871
2761 13.0931366521131 split increased to 2 itime 660723
2763 acceleration/energy drift too large 9.66072181704057
2764 44.7055256230949 split increased to 2 itime 660909
2766 acceleration/energy drift too large 6.28298310165240
2767 25.8316018068304 split increased to 2 itime 662105
2769 acceleration/energy drift too large 4.61032849705654
2770 22.0150139035228 split increased to 2 itime 663230
2772 acceleration/energy drift too large 6.00982697522521
2773 16.7808143561205 split increased to 2 itime 665126
2775 acceleration/energy drift too large 4.29761659187874
2776 13.8389430916353 split increased to 2 itime 665427
2778 acceleration/energy drift too large 4.49294367021075
2779 10.0015674199440 split increased to 2 itime 665478
2781 acceleration/energy drift too large 3.82219634840162
2782 10.4916655336026 split increased to 2 itime 668130
2784 acceleration/energy drift too large 5.96094732042994
2785 17.7703967803927 split increased to 2 itime 668261
2787 acceleration/energy drift too large 4.89829468611348
2788 12.0538031415534 split increased to 2 itime 668336
2790 acceleration/energy drift too large 12.1335050769766
2791 64.3482700132136 split increased to 2 itime 668445
2793 acceleration/energy drift too large 4.02320339839840
2794 14.8937021816675 split increased to 2 itime 669040
2796 acceleration/energy drift too large 4.37223349949132
2797 17.1658710500645 split increased to 2 itime 669860
2799 Velocities reset to random values, time 133999.80
2800 acceleration/energy drift too large 4.39898780391572
2801 19.4765180536983 split increased to 2 itime 670481
2803 acceleration/energy drift too large 4.04788139707366
2804 10.6701854910575 split increased to 2 itime 674226
2806 acceleration/energy drift too large 4.24798732802235
2807 25.6638290593318 split increased to 2 itime 674771
2809 acceleration/energy drift too large 4.32785464484765
2810 13.3743245923795 split increased to 2 itime 675004
2812 acceleration/energy drift too large 6.01749921922012
2813 31.1557172474781 split increased to 2 itime 675048
2815 acceleration/energy drift too large 5.07111953847073
2816 21.4290652104006 split increased to 2 itime 675391
2818 acceleration/energy drift too large 5.12391341884474
2819 10.2864342656937 split increased to 2 itime 675607
2821 acceleration/energy drift too large 5.50944853554163
2822 31.2879529447634 split increased to 2 itime 676330
2824 acceleration/energy drift too large 6.48040329681869
2825 32.8386781768475 split increased to 2 itime 676420
2827 acceleration/energy drift too large 3.10262433842975
2828 10.6509109753339 split increased to 2 itime 676898
2830 acceleration/energy drift too large 10.8623951163489
2831 69.5898491294610 split increased to 2 itime 678300
2833 acceleration/energy drift too large 2.52441412857642
2834 12.9910731840389 split increased to 4 itime 678300
2836 acceleration/energy drift too large 6.52804814000305
2837 41.9147165499755 split increased to 2 itime 679552
2839 acceleration/energy drift too large 5.40281236555388
2840 19.2514326680344 split increased to 2 itime 679567
2842 acceleration/energy drift too large 7.44131593506286
2843 41.6093859695981 split increased to 2 itime 679651
2845 acceleration/energy drift too large 5.90304691180671
2846 32.8391081927771 split increased to 2 itime 679674
2848 acceleration/energy drift too large 6.71109743673371
2849 31.1593000749481 split increased to 2 itime 679676
2851 acceleration/energy drift too large 2.73450640564816
2852 12.8698419784926 split increased to 4 itime 679676
2854 acceleration/energy drift too large 8.32782148441198
2855 19.4817813475231 split increased to 2 itime 679885
2857 Velocities reset to random values, time 135999.80
2858 acceleration/energy drift too large 3.83668976079277
2859 19.2109693149152 split increased to 2 itime 680329
2861 acceleration/energy drift too large 5.88609447897641
2862 12.0648264981557 split increased to 2 itime 681431
2864 acceleration/energy drift too large 5.86053054257781
2865 33.8877650497518 split increased to 2 itime 681719
2867 acceleration/energy drift too large 6.52500619191552
2868 20.7599067078987 split increased to 2 itime 682815
2870 acceleration/energy drift too large 3.04880828463340
2871 13.7398773015852 split increased to 2 itime 683020
2873 acceleration/energy drift too large 6.69369321616485
2874 13.9990975724032 split increased to 2 itime 683283
2876 acceleration/energy drift too large 5.23618767133098
2877 12.9703143621347 split increased to 2 itime 683312
2879 acceleration/energy drift too large 3.47848308236124
2880 10.8920710917359 split increased to 2 itime 683420
2882 acceleration/energy drift too large 5.77425574531984
2883 15.9321698489354 split increased to 2 itime 685001
2885 acceleration/energy drift too large 4.78576434663960
2886 18.9848114224845 split increased to 2 itime 685486
2888 acceleration/energy drift too large 8.95051829270475
2889 26.0985813353001 split increased to 2 itime 686410
2891 acceleration/energy drift too large 5.27035803402023
2892 13.8537643596133 split increased to 2 itime 686850
2894 acceleration/energy drift too large 1.88185288139653
2895 10.4752137226399 split increased to 2 itime 686982
2897 acceleration/energy drift too large 11.9606352779224
2898 57.7497909705213 split increased to 2 itime 687931
2900 acceleration/energy drift too large 2.83487525808160
2901 18.4142484922531 split increased to 4 itime 687931
2903 acceleration/energy drift too large 1.92726508569327
2904 14.2430931373822 split increased to 2 itime 688754
2906 Velocities reset to random values, time 137999.80
2907 acceleration/energy drift too large 2.56681668890711
2908 21.4948796680863 split increased to 2 itime 690006
2910 acceleration/energy drift too large 5.99179532566691
2911 26.7553438186719 split increased to 2 itime 690211
2913 acceleration/energy drift too large 3.77067773605480
2914 30.2275892304465 split increased to 2 itime 691436
2916 acceleration/energy drift too large 4.27292919771583
2917 10.4478680604994 split increased to 2 itime 692106
2919 acceleration/energy drift too large 5.03333260400241
2920 10.0274498767210 split increased to 2 itime 692207
2922 acceleration/energy drift too large 3.20278003715589
2923 11.5202100793791 split increased to 2 itime 692465
2925 acceleration/energy drift too large 5.40751042129251
2926 17.7742270714383 split increased to 2 itime 692791
2928 acceleration/energy drift too large 4.94308070782740
2929 29.5717274262642 split increased to 2 itime 692896
2931 acceleration/energy drift too large 3.87741995325826
2932 13.6294726409417 split increased to 2 itime 693298
2934 acceleration/energy drift too large 7.98258418567227
2935 29.1179350889020 split increased to 2 itime 693612
2937 acceleration/energy drift too large 2.36914242216512
2938 19.5036457789073 split increased to 2 itime 693685
2940 acceleration/energy drift too large 5.69669794276481
2941 40.6102684986143 split increased to 2 itime 694057
2943 acceleration/energy drift too large 5.29315047918184
2944 19.3889190534506 split increased to 2 itime 694116
2946 acceleration/energy drift too large 3.52756650183848
2947 16.7841416036274 split increased to 2 itime 694125
2949 acceleration/energy drift too large 3.67691171695912
2950 21.5675516107547 split increased to 2 itime 695307
2952 acceleration/energy drift too large 10.8443086473719
2953 56.1597685559824 split increased to 2 itime 695756
2955 acceleration/energy drift too large 6.94299291214412
2956 14.0161820417590 split increased to 2 itime 695932
2958 acceleration/energy drift too large 5.19062647677710
2959 12.6170613958460 split increased to 2 itime 696519
2961 acceleration/energy drift too large 6.09415057912963
2962 16.5106176715828 split increased to 2 itime 696932
2964 acceleration/energy drift too large 3.05986622896694
2965 11.3104934820040 split increased to 2 itime 697046
2967 acceleration/energy drift too large 8.54028904963511
2968 46.4148481767631 split increased to 2 itime 697320
2970 acceleration/energy drift too large 5.69987716389526
2971 31.7005497307753 split increased to 2 itime 699002
2973 acceleration/energy drift too large 6.46115438065238
2974 13.6621065528287 split increased to 2 itime 699205
2976 Velocities reset to random values, time 139999.80
2977 REMD synchro at 700000
2978 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
2980 REMD gather times= 289.394531250000 0.000000000000000E+000
2981 REMD writing rst time= 3.906250000000000E-003
2982 REMD writing traj time= 3.906250000000000E-003
2984 ACC 1 250.00000 0.42857 14
2985 ACC 2 260.00000 0.28571 14
2986 ACC 3 270.00000 0.64286 14
2987 ACC 4 280.00000 0.64286 14
2988 ACC 5 290.00000 0.71429 14
2989 ACC 6 300.00000 0.78571 14
2990 ACC 7 310.00000 0.71429 14
2991 ACC 8 320.00000 0.57143 14
2992 ACC 9 330.00000 0.71429 14
2993 ACC 10 340.00000 0.64286 14
2994 ACC 11 350.00000 0.78571 14
2995 ACC 12 360.00000 0.85714 14
2996 ACC 13 370.00000 0.71429 14
2997 ACC 14 380.00000 1.00000 14
2998 ACC 15 390.00000 0.92857 14
2999 REMD scatter time= 0.000000000000000E+000
3000 REMD exchange time= 7.812500000000000E-003
3001 acceleration/energy drift too large 8.11720449887750
3002 35.9480100658249 split increased to 2 itime 700837
3004 acceleration/energy drift too large 5.20286849453995
3005 12.8545924301821 split increased to 2 itime 700972
3007 acceleration/energy drift too large 3.65116170912629
3008 14.3466085630485 split increased to 2 itime 701242
3010 acceleration/energy drift too large 2.91870628148037
3011 11.4368301937584 split increased to 2 itime 701344
3013 acceleration/energy drift too large 3.80146513655856
3014 23.4488948333596 split increased to 2 itime 702310
3016 acceleration/energy drift too large 6.13751273749208
3017 14.3244520265397 split increased to 2 itime 702326
3019 acceleration/energy drift too large 3.03443628466139
3020 18.3422873181726 split increased to 2 itime 703114
3022 acceleration/energy drift too large 3.44391616236463
3023 18.5905922480110 split increased to 2 itime 703490
3025 acceleration/energy drift too large 4.85689491137434
3026 10.4491899217320 split increased to 2 itime 703885
3028 acceleration/energy drift too large 2.57350219389582
3029 10.3015361013323 split increased to 2 itime 704065
3031 acceleration/energy drift too large 8.97585198007661
3032 41.1269172966464 split increased to 2 itime 704832
3034 acceleration/energy drift too large 6.72849882921725
3035 16.4846300918076 split increased to 2 itime 707001
3037 acceleration/energy drift too large 16.4469352140303
3038 97.2940181309860 split increased to 2 itime 707127
3040 acceleration/energy drift too large 6.61555808148272
3041 23.2879786306406 split increased to 2 itime 708229
3043 acceleration/energy drift too large 9.10617472573240
3044 42.4662918953065 split increased to 2 itime 708329
3046 acceleration/energy drift too large 4.02172850170034
3047 13.7115458243418 split increased to 2 itime 708521
3049 acceleration/energy drift too large 5.11370333388024
3050 13.8433798174794 split increased to 2 itime 708774
3052 acceleration/energy drift too large 7.04000769985109
3053 13.7544815544171 split increased to 2 itime 709858
3055 Velocities reset to random values, time 141999.80
3056 acceleration/energy drift too large 5.41956251847003
3057 11.8718423596905 split increased to 2 itime 710179
3059 acceleration/energy drift too large 4.81696801389753
3060 26.3718841761635 split increased to 2 itime 710750
3062 acceleration/energy drift too large 5.38576592170803
3063 28.6667942437354 split increased to 2 itime 710936
3065 acceleration/energy drift too large 6.61411892544192
3066 30.0768132868370 split increased to 2 itime 711316
3068 acceleration/energy drift too large 5.58278496491360
3069 31.9213860315535 split increased to 2 itime 713478
3071 acceleration/energy drift too large 2.31104493200979
3072 13.7926843226157 split increased to 2 itime 715117
3074 acceleration/energy drift too large 12.4344436210483
3075 69.9848558146578 split increased to 2 itime 715463
3077 acceleration/energy drift too large 5.90543797327927
3078 10.5072962885552 split increased to 2 itime 715686
3080 acceleration/energy drift too large 6.42985738275233
3081 27.5992434588681 split increased to 2 itime 715718
3083 acceleration/energy drift too large 4.65908160790281
3084 28.1598205863369 split increased to 2 itime 716098
3086 acceleration/energy drift too large 2.23121348824216
3087 13.1518524731892 split increased to 2 itime 716145
3089 acceleration/energy drift too large 5.56272107748309
3090 13.8763371375724 split increased to 2 itime 716363
3092 acceleration/energy drift too large 2.98462205643197
3093 17.8720134155159 split increased to 2 itime 716884
3095 acceleration/energy drift too large 3.33009756929900
3096 10.2609663529504 split increased to 2 itime 717177
3098 acceleration/energy drift too large 5.57847995984232
3099 11.5085069218216 split increased to 2 itime 717572
3101 acceleration/energy drift too large 4.67674970316485
3102 12.8904797847084 split increased to 2 itime 717756
3104 acceleration/energy drift too large 3.29465335465414
3105 14.1381280155952 split increased to 2 itime 719911
3107 Velocities reset to random values, time 143999.80
3108 acceleration/energy drift too large 4.17876882041245
3109 12.6188064936655 split increased to 2 itime 720634
3111 acceleration/energy drift too large 11.4380824747569
3112 68.3078496706706 split increased to 2 itime 721232
3114 acceleration/energy drift too large 5.11039078682322
3115 11.8668300255710 split increased to 2 itime 723487
3117 acceleration/energy drift too large 4.20128522536592
3118 13.2073982530203 split increased to 2 itime 724395
3120 acceleration/energy drift too large 7.32910906097292
3121 15.3965348106003 split increased to 2 itime 724995
3123 acceleration/energy drift too large 5.59800121191789
3124 16.3143181601815 split increased to 2 itime 726181
3126 acceleration/energy drift too large 5.35721270345146
3127 16.8490833272991 split increased to 2 itime 727235
3129 acceleration/energy drift too large 7.38290872145886
3130 16.2037233603391 split increased to 2 itime 727292
3132 acceleration/energy drift too large 4.14860702237382
3133 26.5630068950048 split increased to 4 itime 727292
3135 Velocities reset to random values, time 145999.80
3136 acceleration/energy drift too large 2.93984517309579
3137 16.6782394655914 split increased to 2 itime 730311
3139 acceleration/energy drift too large 2.87219861895303
3140 19.2097047407069 split increased to 2 itime 731608
3142 acceleration/energy drift too large 4.58372514549138
3143 11.5546377752536 split increased to 2 itime 732658
3145 acceleration/energy drift too large 6.12112685378053
3146 18.0574184678024 split increased to 2 itime 732661
3148 acceleration/energy drift too large 4.63558059761805
3149 16.0132457848208 split increased to 2 itime 733127
3151 acceleration/energy drift too large 4.95334629856386
3152 11.7491351593690 split increased to 2 itime 733757
3154 acceleration/energy drift too large 7.13269906841022
3155 27.3481393944862 split increased to 2 itime 733784
3157 acceleration/energy drift too large 5.34162759775089
3158 10.3869080051152 split increased to 2 itime 733867
3160 acceleration/energy drift too large 8.02238040168975
3161 12.2542596578837 split increased to 2 itime 735302
3163 acceleration/energy drift too large 9.12264549381156
3164 19.6528535756718 split increased to 2 itime 735337
3166 acceleration/energy drift too large 5.02297643618615
3167 25.3981467102304 split increased to 2 itime 736573
3169 acceleration/energy drift too large 2.88742437039917
3170 10.7222733878431 split increased to 2 itime 736574
3172 acceleration/energy drift too large 4.97219204837219
3173 12.3981382578386 split increased to 2 itime 737065
3175 acceleration/energy drift too large 3.72757055319022
3176 10.1054772523544 split increased to 2 itime 737335
3178 acceleration/energy drift too large 2.81868967659850
3179 11.2431565642037 split increased to 2 itime 737675
3181 acceleration/energy drift too large 6.50604436404839
3182 16.6885463296399 split increased to 2 itime 738314
3184 acceleration/energy drift too large 8.70774623624325
3185 18.2012777646865 split increased to 2 itime 738546
3187 acceleration/energy drift too large 2.47782988433004
3188 10.0135387853222 split increased to 2 itime 738712
3190 acceleration/energy drift too large 9.65720027644816
3191 24.6737706627431 split increased to 2 itime 739966
3193 Velocities reset to random values, time 147999.80
3194 acceleration/energy drift too large 5.83490275310682
3195 17.2734500308748 split increased to 2 itime 740293
3197 acceleration/energy drift too large 2.41967888178194
3198 16.5005673295931 split increased to 2 itime 740294
3200 acceleration/energy drift too large 5.92684639184068
3201 15.7753993440322 split increased to 2 itime 740501
3203 acceleration/energy drift too large 12.2378054799971
3204 59.1222401237592 split increased to 2 itime 740859
3206 acceleration/energy drift too large 4.71147203452646
3207 15.9378132209512 split increased to 2 itime 742086
3209 acceleration/energy drift too large 10.1241154141147
3210 49.5651476664475 split increased to 2 itime 742230
3212 acceleration/energy drift too large 8.55238928648374
3213 38.8082947300162 split increased to 2 itime 742508
3215 acceleration/energy drift too large 4.63291759153817
3216 11.1657627033866 split increased to 2 itime 743021
3218 acceleration/energy drift too large 6.13868702936043
3219 15.0285456202743 split increased to 2 itime 744307
3221 acceleration/energy drift too large 12.3268103576927
3222 71.5848824410426 split increased to 2 itime 745411
3224 acceleration/energy drift too large 6.43333392431065
3225 25.1487072571966 split increased to 2 itime 745503
3227 acceleration/energy drift too large 4.42890359526283
3228 28.2654360317681 split increased to 2 itime 745910
3230 acceleration/energy drift too large 7.42291403604513
3231 24.8953925887195 split increased to 2 itime 746575
3233 acceleration/energy drift too large 6.35426872326548
3234 27.2522682659169 split increased to 2 itime 746750
3236 acceleration/energy drift too large 9.94254704370798
3237 47.4011936929260 split increased to 2 itime 747315
3239 acceleration/energy drift too large 1.86492680196737
3240 16.1965681695899 split increased to 2 itime 747316
3242 Velocities reset to random values, time 149999.80
3243 acceleration/energy drift too large 9.18073560331282
3244 40.8131448443545 split increased to 2 itime 750272
3246 acceleration/energy drift too large 8.02506036965276
3247 27.3447807980334 split increased to 2 itime 750382
3249 acceleration/energy drift too large 5.60951223725942
3250 35.9614690629819 split increased to 2 itime 750508
3252 acceleration/energy drift too large 4.95595725865051
3253 17.4492818381553 split increased to 2 itime 751304
3255 acceleration/energy drift too large 3.73181631291966
3256 10.4755639424838 split increased to 2 itime 752293
3258 acceleration/energy drift too large 6.90583579822753
3259 24.6091661110682 split increased to 2 itime 752848
3261 acceleration/energy drift too large 5.24105425922398
3262 11.9415380346706 split increased to 2 itime 753876
3264 acceleration/energy drift too large 8.52361774962486
3265 32.4861818878236 split increased to 2 itime 754187
3267 acceleration/energy drift too large 2.73130154577056
3268 18.1237370995500 split increased to 2 itime 755400
3270 acceleration/energy drift too large 6.70424968925215
3271 16.4283046687343 split increased to 2 itime 755767
3273 acceleration/energy drift too large 3.33215995949377
3274 16.4680278816705 split increased to 2 itime 756496
3276 acceleration/energy drift too large 5.33228968024792
3277 17.3087721044395 split increased to 2 itime 757093
3279 acceleration/energy drift too large 6.14438587743912
3280 38.1088809303817 split increased to 2 itime 757895
3282 acceleration/energy drift too large 4.50686292909664
3283 20.9265187146252 split increased to 2 itime 757896
3285 acceleration/energy drift too large 4.75898405283910
3286 24.3325506372013 split increased to 2 itime 757945
3288 acceleration/energy drift too large 4.13289930847467
3289 15.3431473940614 split increased to 2 itime 759483
3291 acceleration/energy drift too large 4.61127655077977
3292 17.4779517495459 split increased to 2 itime 759498
3294 acceleration/energy drift too large 8.71369381594099
3295 49.7366412149935 split increased to 2 itime 759632
3297 Velocities reset to random values, time 151999.80
3298 acceleration/energy drift too large 6.43580397827309
3299 16.4233096795613 split increased to 2 itime 760152
3301 acceleration/energy drift too large 11.3122136603536
3302 56.1496273279264 split increased to 2 itime 760332
3304 acceleration/energy drift too large 10.5746997896608
3305 54.3289665205038 split increased to 2 itime 761220
3307 acceleration/energy drift too large 2.41838248175020
3308 10.4293443716903 split increased to 4 itime 761220
3310 acceleration/energy drift too large 4.98992831216492
3311 27.6345901284655 split increased to 2 itime 761240
3313 acceleration/energy drift too large 6.41191990956657
3314 12.9059647831487 split increased to 2 itime 761412
3316 acceleration/energy drift too large 5.39856174090225
3317 13.6998856578941 split increased to 2 itime 761745
3319 acceleration/energy drift too large 10.9372724975527
3320 52.1245815935940 split increased to 2 itime 762041
3322 acceleration/energy drift too large 0.871225091661636
3323 17.5098023455650 split increased to 2 itime 762042
3325 acceleration/energy drift too large 2.66028331637075
3326 17.1256845723536 split increased to 2 itime 762933
3328 acceleration/energy drift too large 1.99596918528786
3329 10.1375597393198 split increased to 2 itime 764429
3331 acceleration/energy drift too large 4.76122578243500
3332 33.2316986484702 split increased to 2 itime 765387
3334 acceleration/energy drift too large 2.20348187658971
3335 13.1574881122650 split increased to 2 itime 765565
3337 acceleration/energy drift too large 6.73122130913325
3338 20.3494918023678 split increased to 2 itime 765762
3340 acceleration/energy drift too large 4.05257069096200
3341 13.7211572297740 split increased to 2 itime 766130
3343 acceleration/energy drift too large 5.29862556826967
3344 18.6732141953551 split increased to 2 itime 766149
3346 acceleration/energy drift too large 7.34969421196595
3347 28.4653834893784 split increased to 2 itime 766196
3349 acceleration/energy drift too large 4.10560066737414
3350 13.9493792661245 split increased to 2 itime 766322
3352 acceleration/energy drift too large 6.88546908694253
3353 26.3549059304166 split increased to 2 itime 766694
3355 acceleration/energy drift too large 4.98283677444414
3356 26.9657731682248 split increased to 2 itime 766871
3358 acceleration/energy drift too large 5.26777550871686
3359 20.4828325361774 split increased to 2 itime 768135
3361 acceleration/energy drift too large 4.11280396191990
3362 11.1876323328568 split increased to 2 itime 768926
3364 acceleration/energy drift too large 8.82345757363100
3365 36.5298472303389 split increased to 2 itime 769591
3367 Velocities reset to random values, time 153999.80
3368 acceleration/energy drift too large 11.1910424687684
3369 40.7188092355586 split increased to 2 itime 770235
3371 acceleration/energy drift too large 10.5854544304928
3372 25.9528329783793 split increased to 2 itime 770726
3374 acceleration/energy drift too large 4.69032627165788
3375 11.5541667518256 split increased to 2 itime 770731
3377 acceleration/energy drift too large 4.80943699344173
3378 23.1316211490282 split increased to 2 itime 771598
3380 acceleration/energy drift too large 2.17229198486053
3381 13.6663633568850 split increased to 2 itime 772197
3383 acceleration/energy drift too large 7.76051794799924
3384 29.0857784015039 split increased to 2 itime 774249
3386 acceleration/energy drift too large 3.20373989756117
3387 18.6902964243555 split increased to 4 itime 774249
3389 acceleration/energy drift too large 3.79313504265284
3390 11.8255465091502 split increased to 2 itime 774655
3392 acceleration/energy drift too large 7.91957039254655
3393 22.6103948475217 split increased to 2 itime 774855
3395 acceleration/energy drift too large 9.35138659701622
3396 40.1408374545245 split increased to 2 itime 774986
3398 acceleration/energy drift too large 4.10039017596775
3399 12.0957930486731 split increased to 2 itime 775749
3401 acceleration/energy drift too large 4.40218727179321
3402 15.4243037897106 split increased to 2 itime 776727
3404 acceleration/energy drift too large 6.20964998360838
3405 13.9519295998203 split increased to 2 itime 776745
3407 acceleration/energy drift too large 8.14494633948772
3408 31.1615276441521 split increased to 2 itime 776813
3410 acceleration/energy drift too large 6.80920668896092
3411 18.1177734149848 split increased to 2 itime 777058
3413 acceleration/energy drift too large 3.42789236439444
3414 10.5155884635245 split increased to 2 itime 779369
3416 acceleration/energy drift too large 5.32212115567097
3417 13.4852111934292 split increased to 2 itime 779490
3419 Velocities reset to random values, time 155999.80
3420 acceleration/energy drift too large 7.89059523579495
3421 29.7824564856205 split increased to 2 itime 780514
3423 acceleration/energy drift too large 2.71836043120833
3424 16.4688426410573 split increased to 2 itime 781975
3426 acceleration/energy drift too large 5.42582174827306
3427 16.8035911065003 split increased to 2 itime 782225
3429 acceleration/energy drift too large 8.79604114949452
3430 29.9117030853523 split increased to 2 itime 784403
3432 acceleration/energy drift too large 4.34478328475579
3433 13.0516309207492 split increased to 2 itime 785038
3435 acceleration/energy drift too large 12.0267992958826
3436 64.9158377959301 split increased to 2 itime 785502
3438 acceleration/energy drift too large 2.86927783949805
3439 15.0302174377880 split increased to 4 itime 785502
3441 acceleration/energy drift too large 6.74416749588866
3442 24.7782896947259 split increased to 2 itime 785868
3444 acceleration/energy drift too large 3.99836343483443
3445 24.2067372343023 split increased to 2 itime 785966
3447 acceleration/energy drift too large 8.82858130530756
3448 25.5700047616842 split increased to 2 itime 786111
3450 acceleration/energy drift too large 5.26427715361465
3451 12.6662623681970 split increased to 2 itime 786136
3453 acceleration/energy drift too large 9.96173353016672
3454 43.6827276596895 split increased to 2 itime 786329
3456 acceleration/energy drift too large 4.52902428315935
3457 25.9415672960537 split increased to 2 itime 786588
3459 acceleration/energy drift too large 4.92084190225243
3460 17.8031580601729 split increased to 2 itime 786765
3462 acceleration/energy drift too large 1.35539646830949
3463 10.3713693132301 split increased to 2 itime 786881
3465 acceleration/energy drift too large 2.27825760356459
3466 13.3588520840026 split increased to 2 itime 787466
3468 acceleration/energy drift too large 5.19137047009736
3469 11.9724768790205 split increased to 2 itime 788231
3471 acceleration/energy drift too large 4.15474330978859
3472 11.3954412117450 split increased to 2 itime 789090
3474 Velocities reset to random values, time 157999.80
3475 acceleration/energy drift too large 2.07413870656877
3476 10.0887247025908 split increased to 2 itime 790839
3478 acceleration/energy drift too large 7.03703398252484
3479 20.9053438238816 split increased to 2 itime 791459
3481 acceleration/energy drift too large 3.34588286521393
3482 15.5168908264045 split increased to 2 itime 792734
3484 acceleration/energy drift too large 5.12104252925255
3485 28.0971337976728 split increased to 2 itime 792914
3487 acceleration/energy drift too large 3.86619542414277
3488 12.7648498051125 split increased to 2 itime 793586
3490 acceleration/energy drift too large 4.55321589755684
3491 11.3463573333294 split increased to 2 itime 793865
3493 acceleration/energy drift too large 5.71154648315159
3494 16.3890263704544 split increased to 2 itime 794091
3496 acceleration/energy drift too large 4.10128754379293
3497 11.1876083265659 split increased to 2 itime 794172
3499 acceleration/energy drift too large 5.10858270950534
3500 10.3132624488177 split increased to 2 itime 794243
3502 acceleration/energy drift too large 4.09453632971990
3503 12.0594182273070 split increased to 2 itime 794372
3505 acceleration/energy drift too large 10.4882739446551
3506 55.2994676774204 split increased to 2 itime 794866
3508 acceleration/energy drift too large 3.14512498490513
3509 18.4241954271156 split increased to 2 itime 796099
3511 acceleration/energy drift too large 7.67277000254915
3512 22.4377690971799 split increased to 2 itime 796173
3514 acceleration/energy drift too large 5.90764020005741
3515 14.3886987817941 split increased to 2 itime 796453
3517 acceleration/energy drift too large 2.36630146620928
3518 13.2441099504989 split increased to 2 itime 796454
3520 acceleration/energy drift too large 5.75106229184658
3521 14.6408888372617 split increased to 2 itime 796582
3523 acceleration/energy drift too large 4.89563322388087
3524 16.2882302874806 split increased to 2 itime 796962
3526 acceleration/energy drift too large 4.39014934673668
3527 18.8559177610733 split increased to 2 itime 797056
3529 acceleration/energy drift too large 6.45080488641976
3530 15.9675085022738 split increased to 2 itime 797057
3532 acceleration/energy drift too large 8.70225101762707
3533 29.8320767651172 split increased to 2 itime 797127
3535 acceleration/energy drift too large 4.77883556629849
3536 12.6676495324686 split increased to 2 itime 797259
3538 acceleration/energy drift too large 3.97847034476097
3539 17.9089733006466 split increased to 2 itime 797870
3541 acceleration/energy drift too large 13.9046206736496
3542 82.0800534834106 split increased to 2 itime 799043
3544 Velocities reset to random values, time 159999.80
3545 REMD synchro at 800000
3546 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
3548 REMD gather times= 330.421875000000 0.000000000000000E+000
3549 REMD writing rst time= 3.906250000000000E-003
3550 REMD writing traj time= 3.906250000000000E-003
3552 ACC 1 250.00000 0.37500 16
3553 ACC 2 260.00000 0.31250 16
3554 ACC 3 270.00000 0.62500 16
3555 ACC 4 280.00000 0.68750 16
3556 ACC 5 290.00000 0.75000 16
3557 ACC 6 300.00000 0.75000 16
3558 ACC 7 310.00000 0.75000 16
3559 ACC 8 320.00000 0.56250 16
3560 ACC 9 330.00000 0.75000 16
3561 ACC 10 340.00000 0.56250 16
3562 ACC 11 350.00000 0.75000 16
3563 ACC 12 360.00000 0.87500 16
3564 ACC 13 370.00000 0.75000 16
3565 ACC 14 380.00000 1.00000 16
3566 ACC 15 390.00000 0.87500 16
3567 REMD scatter time= 0.000000000000000E+000
3568 REMD exchange time= 7.812500000000000E-003
3569 acceleration/energy drift too large 10.1858531917160
3570 49.9919055433977 split increased to 2 itime 800546
3572 acceleration/energy drift too large 6.61474356672286
3573 18.3511876009471 split increased to 2 itime 802527
3575 acceleration/energy drift too large 5.21083478084351
3576 10.3681522438434 split increased to 2 itime 804118
3578 acceleration/energy drift too large 4.36692923036785
3579 25.4941574775791 split increased to 2 itime 805344
3581 acceleration/energy drift too large 4.79987247340460
3582 11.6800415168608 split increased to 2 itime 805409
3584 acceleration/energy drift too large 3.30152052270426
3585 14.7276305437980 split increased to 2 itime 805757
3587 acceleration/energy drift too large 4.00801745839127
3588 28.3955531769657 split increased to 2 itime 807191
3590 acceleration/energy drift too large 5.21173836606324
3591 12.2168054952948 split increased to 2 itime 808236
3593 acceleration/energy drift too large 2.76797011334551
3594 11.2865727348839 split increased to 2 itime 808237
3596 acceleration/energy drift too large 11.0079970507706
3597 52.8200178425537 split increased to 2 itime 808820
3599 Velocities reset to random values, time 161999.80
3600 acceleration/energy drift too large 3.35046415160692
3601 10.4383116816673 split increased to 2 itime 811809
3603 acceleration/energy drift too large 4.55862164829432
3604 12.5028868093941 split increased to 2 itime 812396
3606 acceleration/energy drift too large 6.27634706559778
3607 35.6139263812836 split increased to 2 itime 812922
3609 acceleration/energy drift too large 3.83550076493065
3610 11.6014717005044 split increased to 2 itime 812946
3612 acceleration/energy drift too large 4.61436679818368
3613 23.1127673739172 split increased to 2 itime 813170
3615 acceleration/energy drift too large 6.39564402444074
3616 40.2069995174404 split increased to 2 itime 814544
3618 acceleration/energy drift too large 4.10887449328207
3619 10.8941575395608 split increased to 2 itime 815618
3621 acceleration/energy drift too large 11.7745541114932
3622 72.0105161904506 split increased to 2 itime 815631
3624 acceleration/energy drift too large 2.28214975501604
3625 11.8708049838113 split increased to 4 itime 815631
3627 acceleration/energy drift too large 4.75834098985964
3628 28.5794833996746 split increased to 2 itime 815802
3630 acceleration/energy drift too large 6.44938426589426
3631 26.3602793948603 split increased to 2 itime 816021
3633 acceleration/energy drift too large 3.72090282647722
3634 11.1383410967662 split increased to 2 itime 816082
3636 acceleration/energy drift too large 4.80507441603727
3637 12.2874470750706 split increased to 2 itime 816890
3639 acceleration/energy drift too large 5.59374898201894
3640 14.1866285962887 split increased to 2 itime 817194
3642 acceleration/energy drift too large 4.29296785944024
3643 10.3657773872582 split increased to 2 itime 817224
3645 acceleration/energy drift too large 3.84651600551193
3646 12.7341021194992 split increased to 2 itime 818387
3648 acceleration/energy drift too large 2.22360495738591
3649 14.0847637383396 split increased to 2 itime 818601
3651 acceleration/energy drift too large 5.16983473584117
3652 11.2129225123064 split increased to 2 itime 818714
3654 Velocities reset to random values, time 163999.80
3655 acceleration/energy drift too large 8.97951013222568
3656 14.8450933627680 split increased to 2 itime 821347
3658 acceleration/energy drift too large 10.7281184582967
3659 44.0727871101872 split increased to 2 itime 821714
3661 acceleration/energy drift too large 4.51341949115924
3662 16.7004237366531 split increased to 2 itime 821890
3664 acceleration/energy drift too large 5.52141665366594
3665 23.8090023103709 split increased to 2 itime 822026
3667 acceleration/energy drift too large 4.42315563535048
3668 20.4081954978863 split increased to 2 itime 822360
3670 acceleration/energy drift too large 4.43118357066480
3671 17.6242038569295 split increased to 2 itime 822949
3673 acceleration/energy drift too large 4.45232538918048
3674 22.7001080092999 split increased to 2 itime 823754
3676 acceleration/energy drift too large 4.31179799890165
3677 21.8605874214936 split increased to 2 itime 823963
3679 acceleration/energy drift too large 6.27097032162734
3680 17.3929106261447 split increased to 2 itime 825274
3682 acceleration/energy drift too large 16.1231050188181
3683 88.9445794602708 split increased to 2 itime 825453
3685 acceleration/energy drift too large 5.06534911294876
3686 30.7306392610330 split increased to 2 itime 826381
3688 acceleration/energy drift too large 6.66773689953335
3689 21.1417291266588 split increased to 2 itime 828759
3691 acceleration/energy drift too large 4.69846345548895
3692 14.2850723594923 split increased to 2 itime 828897
3694 Velocities reset to random values, time 165999.80
3695 acceleration/energy drift too large 9.10020872936095
3696 36.8845664715708 split increased to 2 itime 833523
3698 acceleration/energy drift too large 2.10529538187782
3699 10.3597285968010 split increased to 2 itime 834469
3701 acceleration/energy drift too large 5.10179818315932
3702 21.0053173142724 split increased to 2 itime 835664
3704 acceleration/energy drift too large 4.10983826305805
3705 24.6806120989868 split increased to 2 itime 835827
3707 acceleration/energy drift too large 5.15978255256110
3708 18.4695534302812 split increased to 2 itime 835967
3710 acceleration/energy drift too large 5.80631599840364
3711 25.3401051176140 split increased to 2 itime 836133
3713 acceleration/energy drift too large 3.76238538502701
3714 10.6939381889576 split increased to 2 itime 836140
3716 acceleration/energy drift too large 4.71958085722966
3717 15.9122227252988 split increased to 2 itime 839727
3719 Velocities reset to random values, time 167999.80
3720 acceleration/energy drift too large 4.26927082160644
3721 15.5471866777299 split increased to 2 itime 840317
3723 acceleration/energy drift too large 4.71791412322011
3724 14.1516194197991 split increased to 2 itime 841422
3726 acceleration/energy drift too large 7.80259106109826
3727 38.9559636911525 split increased to 2 itime 843256
3729 acceleration/energy drift too large 6.24246610723308
3730 23.1909798726841 split increased to 2 itime 846051
3732 acceleration/energy drift too large 5.42152683843393
3733 36.4638939198863 split increased to 2 itime 846945
3735 acceleration/energy drift too large 2.72470774264122
3736 10.1781621424218 split increased to 2 itime 848328
3738 acceleration/energy drift too large 2.98628975273830
3739 11.5252323082825 split increased to 2 itime 848535
3741 acceleration/energy drift too large 7.59765432138732
3742 36.0831963586074 split increased to 2 itime 849072
3744 acceleration/energy drift too large 7.11045682808745
3745 16.0713168218446 split increased to 2 itime 849123
3747 acceleration/energy drift too large 1.76251954056545
3748 10.6930352230154 split increased to 2 itime 849364
3750 acceleration/energy drift too large 9.39581665933674
3751 47.1173070435289 split increased to 2 itime 849466
3753 acceleration/energy drift too large 2.48090034179985
3754 11.0370189796659 split increased to 4 itime 849466
3756 acceleration/energy drift too large 4.85368603575384
3757 26.1364330278783 split increased to 2 itime 849606
3759 acceleration/energy drift too large 5.54226555254511
3760 31.3092905996061 split increased to 2 itime 849695
3762 acceleration/energy drift too large 3.70270590445924
3763 10.3665933714424 split increased to 2 itime 849926
3765 Velocities reset to random values, time 169999.80
3766 acceleration/energy drift too large 3.68185342994993
3767 11.3821760217665 split increased to 2 itime 851041
3769 acceleration/energy drift too large 1.30272849302438
3770 11.5255973493773 split increased to 2 itime 851510
3772 acceleration/energy drift too large 3.87880302633644
3773 12.3183228758084 split increased to 2 itime 851778
3775 acceleration/energy drift too large 5.33004720940022
3776 15.5440018808535 split increased to 2 itime 851819
3778 acceleration/energy drift too large 3.41304475117642
3779 11.2777203505534 split increased to 2 itime 854377
3781 acceleration/energy drift too large 2.27500270613526
3782 15.9377053001000 split increased to 2 itime 855018
3784 acceleration/energy drift too large 10.2867316676197
3785 36.7553411283993 split increased to 2 itime 855060
3787 acceleration/energy drift too large 6.24895785298984
3788 15.6085990016604 split increased to 2 itime 855349
3790 acceleration/energy drift too large 5.90725842630384
3791 39.0462466429432 split increased to 2 itime 855571
3793 acceleration/energy drift too large 3.79779225813693
3794 15.5739170626962 split increased to 2 itime 856361
3796 acceleration/energy drift too large 4.28449275870720
3797 19.6576330725434 split increased to 2 itime 857531
3799 acceleration/energy drift too large 6.62333786343115
3800 12.6131954903391 split increased to 2 itime 858035
3802 acceleration/energy drift too large 6.43179702188010
3803 16.1897983967648 split increased to 2 itime 858155
3805 acceleration/energy drift too large 8.11650383037319
3806 15.6602078767251 split increased to 2 itime 858432
3808 acceleration/energy drift too large 6.35903095929199
3809 23.4297110756282 split increased to 2 itime 858761
3811 acceleration/energy drift too large 2.37405421642417
3812 15.1472486608351 split increased to 2 itime 858924
3814 acceleration/energy drift too large 6.09358470738852
3815 10.9077721929170 split increased to 2 itime 859471
3817 Velocities reset to random values, time 171999.80
3818 acceleration/energy drift too large 2.99205006305992
3819 10.2350419819350 split increased to 2 itime 860018
3821 acceleration/energy drift too large 3.40837723928827
3822 25.7902701486737 split increased to 2 itime 860135
3824 acceleration/energy drift too large 7.62635741992279
3825 31.4351267351660 split increased to 2 itime 860901
3827 acceleration/energy drift too large 6.93431461412510
3828 15.1613228587910 split increased to 2 itime 861303
3830 acceleration/energy drift too large 1.00987298164245
3831 10.3397339799149 split increased to 2 itime 861995
3833 acceleration/energy drift too large 4.16853171169325
3834 13.0027043121091 split increased to 2 itime 863287
3836 acceleration/energy drift too large 3.41312242463000
3837 11.5196222844960 split increased to 2 itime 865038
3839 acceleration/energy drift too large 13.0330892078029
3840 57.0795780246197 split increased to 2 itime 868783
3842 acceleration/energy drift too large 2.12413786848346
3843 10.0067532313556 split increased to 2 itime 868784
3845 Velocities reset to random values, time 173999.80
3846 acceleration/energy drift too large 4.48316920487698
3847 15.3642270727834 split increased to 2 itime 870014
3849 acceleration/energy drift too large 5.46663248460850
3850 17.7620124333731 split increased to 2 itime 870462
3852 acceleration/energy drift too large 3.68493117330259
3853 15.0465686409301 split increased to 2 itime 871407
3855 acceleration/energy drift too large 6.64682869143959
3856 24.9070890424714 split increased to 2 itime 871529
3858 acceleration/energy drift too large 5.14654974865849
3859 29.8324859553264 split increased to 2 itime 871817
3861 acceleration/energy drift too large 8.42810352971725
3862 17.9736890336102 split increased to 2 itime 872861
3864 acceleration/energy drift too large 8.05814780717397
3865 30.6379757016150 split increased to 2 itime 874388
3867 acceleration/energy drift too large 8.33355163012773
3868 38.3922122885332 split increased to 2 itime 874537
3870 acceleration/energy drift too large 4.68644641701786
3871 16.0673717023889 split increased to 2 itime 876317
3873 acceleration/energy drift too large 5.54838238836925
3874 10.2436358313971 split increased to 2 itime 876597
3876 acceleration/energy drift too large 5.00469925291067
3877 27.3154930108518 split increased to 2 itime 877533
3879 acceleration/energy drift too large 5.59046583329068
3880 26.8590207082939 split increased to 2 itime 877548
3882 acceleration/energy drift too large 5.48771666783080
3883 28.7019627916702 split increased to 2 itime 878543
3885 acceleration/energy drift too large 3.73201268096728
3886 11.0757880270104 split increased to 2 itime 878693
3888 acceleration/energy drift too large 9.05475934756846
3889 37.2516124384736 split increased to 2 itime 878702
3891 acceleration/energy drift too large 5.05447404120733
3892 25.2698507175826 split increased to 2 itime 879010
3894 Velocities reset to random values, time 175999.80
3895 acceleration/energy drift too large 9.75728425299078
3896 41.0870040318110 split increased to 2 itime 881324
3898 acceleration/energy drift too large 4.47116429398335
3899 14.1341879857286 split increased to 2 itime 881606
3901 acceleration/energy drift too large 5.64122344751255
3902 18.8058428574082 split increased to 2 itime 881685
3904 acceleration/energy drift too large 3.38201272748284
3905 14.2758439607364 split increased to 2 itime 881738
3907 acceleration/energy drift too large 6.24012822934427
3908 18.0100837224270 split increased to 2 itime 882462
3910 acceleration/energy drift too large 8.07778553109738
3911 25.6531995482950 split increased to 2 itime 882553
3913 acceleration/energy drift too large 9.02012689384697
3914 45.8986493682498 split increased to 2 itime 883151
3916 acceleration/energy drift too large 4.38698856093318
3917 13.0492338203838 split increased to 2 itime 883152
3919 acceleration/energy drift too large 3.77344730739846
3920 31.4190984399745 split increased to 2 itime 883483
3922 acceleration/energy drift too large 6.64034466081295
3923 13.3128353634422 split increased to 2 itime 883906
3925 acceleration/energy drift too large 2.99139857812002
3926 11.1499735253225 split increased to 2 itime 883907
3928 acceleration/energy drift too large 4.24537943309958
3929 18.7215985233019 split increased to 2 itime 883926
3931 acceleration/energy drift too large 4.81741301780442
3932 20.8858375981111 split increased to 2 itime 884371
3934 acceleration/energy drift too large 6.52081369720799
3935 24.9620853130424 split increased to 2 itime 884974
3937 acceleration/energy drift too large 0.263370944738246
3938 12.0317858012129 split increased to 2 itime 884975
3940 acceleration/energy drift too large 3.98878456038785
3941 13.0035973568009 split increased to 2 itime 885542
3943 acceleration/energy drift too large 3.18261729071186
3944 11.0608343884385 split increased to 2 itime 885578
3946 acceleration/energy drift too large 4.92939709666047
3947 18.2408544479708 split increased to 2 itime 885837
3949 acceleration/energy drift too large 4.34515561364903
3950 13.1606681215121 split increased to 2 itime 886867
3952 acceleration/energy drift too large 4.64805771470019
3953 28.0828383580426 split increased to 2 itime 887096
3955 acceleration/energy drift too large 5.31018609394849
3956 32.0949137523407 split increased to 2 itime 889001
3958 acceleration/energy drift too large 6.82513543801012
3959 23.6627509990968 split increased to 2 itime 889901
3961 acceleration/energy drift too large 10.9629338214056
3962 58.8838096980452 split increased to 2 itime 889927
3964 Velocities reset to random values, time 177999.80
3965 acceleration/energy drift too large 4.36779603957700
3966 24.8966689634780 split increased to 2 itime 890498
3968 acceleration/energy drift too large 4.47372517857774
3969 19.6760890913935 split increased to 2 itime 890596
3971 acceleration/energy drift too large 4.14351180458100
3972 10.4511039981667 split increased to 2 itime 890712
3974 acceleration/energy drift too large 10.2963683940520
3975 45.2861029725464 split increased to 2 itime 890950
3977 acceleration/energy drift too large 8.00597792217140
3978 28.6236925691628 split increased to 2 itime 892274
3980 acceleration/energy drift too large 5.02319824980618
3981 10.7412013842596 split increased to 2 itime 892567
3983 acceleration/energy drift too large 5.66486812447466
3984 21.2749068812215 split increased to 2 itime 892592
3986 acceleration/energy drift too large 5.81284141455630
3987 28.0663381368691 split increased to 2 itime 893061
3989 acceleration/energy drift too large 4.30815622737141
3990 15.5949203230660 split increased to 2 itime 893492
3992 acceleration/energy drift too large 12.1819107276745
3993 65.0361040217672 split increased to 2 itime 893925
3995 acceleration/energy drift too large 7.80254918281608
3996 14.5743526834994 split increased to 2 itime 894184
3998 acceleration/energy drift too large 3.90420148861399
3999 18.7112169089617 split increased to 2 itime 894537
4001 acceleration/energy drift too large 8.09224840033428
4002 23.0036447957748 split increased to 2 itime 894588
4004 acceleration/energy drift too large 5.75108790283350
4005 22.1618084409864 split increased to 2 itime 895492
4007 acceleration/energy drift too large 8.08098119782837
4008 32.6098455266172 split increased to 2 itime 897411
4010 acceleration/energy drift too large 2.27046515056975
4011 12.9209978044190 split increased to 2 itime 897412
4013 acceleration/energy drift too large 2.81204518953327
4014 10.7801647430719 split increased to 2 itime 897898
4016 acceleration/energy drift too large 6.00422851541804
4017 18.6321947426595 split increased to 2 itime 898369
4019 acceleration/energy drift too large 6.13140200018052
4020 10.2266616808305 split increased to 2 itime 899966
4022 Velocities reset to random values, time 179999.80
4023 REMD synchro at 900000
4024 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
4026 REMD gather times= 373.199218750000 0.000000000000000E+000
4027 REMD writing rst time= 3.906250000000000E-003
4028 REMD writing traj time= 3.906250000000000E-003
4030 ACC 1 250.00000 0.38889 18
4031 ACC 2 260.00000 0.27778 18
4032 ACC 3 270.00000 0.61111 18
4033 ACC 4 280.00000 0.66667 18
4034 ACC 5 290.00000 0.77778 18
4035 ACC 6 300.00000 0.72222 18
4036 ACC 7 310.00000 0.66667 18
4037 ACC 8 320.00000 0.61111 18
4038 ACC 9 330.00000 0.72222 18
4039 ACC 10 340.00000 0.55556 18
4040 ACC 11 350.00000 0.77778 18
4041 ACC 12 360.00000 0.88889 18
4042 ACC 13 370.00000 0.72222 18
4043 ACC 14 380.00000 1.00000 18
4044 ACC 15 390.00000 0.88889 18
4045 REMD scatter time= 0.000000000000000E+000
4046 REMD exchange time= 7.812500000000000E-003
4047 acceleration/energy drift too large 4.93437115929913
4048 15.0101778190027 split increased to 2 itime 901458
4050 acceleration/energy drift too large 6.23402609252654
4051 14.4562536827666 split increased to 2 itime 902306
4053 acceleration/energy drift too large 2.99968056491140
4054 20.4446159912064 split increased to 2 itime 902468
4056 acceleration/energy drift too large 3.58446877753617
4057 10.2761800414219 split increased to 2 itime 904271
4059 acceleration/energy drift too large 4.00651805994318
4060 22.1471642208457 split increased to 2 itime 906132
4062 acceleration/energy drift too large 4.85938913669745
4063 14.5226291007124 split increased to 2 itime 906133
4065 acceleration/energy drift too large 4.80027462530083
4066 16.3990832941431 split increased to 2 itime 906140
4068 acceleration/energy drift too large 4.29442321794351
4069 17.7722159592652 split increased to 2 itime 906286
4071 acceleration/energy drift too large 3.08903550090499
4072 12.5731053522371 split increased to 2 itime 906287
4074 acceleration/energy drift too large 6.80185232783696
4075 27.1935372158233 split increased to 2 itime 907678
4077 acceleration/energy drift too large 3.87821223950876
4078 22.7963857622274 split increased to 2 itime 908163
4080 acceleration/energy drift too large 3.83402775545744
4081 11.3250287229579 split increased to 2 itime 908164
4083 acceleration/energy drift too large 3.35094012711318
4084 16.4693126884373 split increased to 2 itime 908232
4086 acceleration/energy drift too large 6.30726425217768
4087 19.7459594678826 split increased to 2 itime 908549
4089 acceleration/energy drift too large 5.07988741659012
4090 17.6543755976998 split increased to 2 itime 908770
4092 acceleration/energy drift too large 2.30347111871892
4093 10.3511918379433 split increased to 2 itime 909562
4095 acceleration/energy drift too large 4.22646771764469
4096 20.1576902483019 split increased to 2 itime 909591
4098 acceleration/energy drift too large 5.47939704292618
4099 22.8704872452274 split increased to 2 itime 909731
4101 Velocities reset to random values, time 181999.80
4102 acceleration/energy drift too large 5.09467054175795
4103 26.3969122856032 split increased to 2 itime 910687
4105 acceleration/energy drift too large 5.67033361430972
4106 25.6818534970529 split increased to 2 itime 910770
4108 acceleration/energy drift too large 4.99579558348459
4109 24.0473705823683 split increased to 2 itime 910798
4111 acceleration/energy drift too large 3.86536720461861
4112 21.5771872582344 split increased to 2 itime 913346
4114 acceleration/energy drift too large 3.44077645781660
4115 10.2419034181596 split increased to 2 itime 913372
4117 acceleration/energy drift too large 5.28482377800547
4118 32.3645650565124 split increased to 2 itime 913588
4120 acceleration/energy drift too large 13.4909664207648
4121 69.4081346804915 split increased to 2 itime 915749
4123 acceleration/energy drift too large 12.1372326604667
4124 65.6913078401244 split increased to 2 itime 916042
4126 acceleration/energy drift too large 4.40131450822704
4127 22.1495751135271 split increased to 2 itime 916232
4129 acceleration/energy drift too large 10.2989448147296
4130 51.9670279406022 split increased to 2 itime 917267
4132 acceleration/energy drift too large 3.88462128949334
4133 12.4411002466979 split increased to 2 itime 917627
4135 acceleration/energy drift too large 5.31411568143583
4136 15.7333203477963 split increased to 2 itime 917720
4138 acceleration/energy drift too large 3.66157513459153
4139 12.5476649583374 split increased to 2 itime 917968
4141 acceleration/energy drift too large 5.70706498520026
4142 16.5581569994549 split increased to 2 itime 918387
4144 Velocities reset to random values, time 183999.80
4145 acceleration/energy drift too large 5.56429193417560
4146 29.3175208962556 split increased to 2 itime 920148
4148 acceleration/energy drift too large 6.64284676109226
4149 40.1256986281886 split increased to 2 itime 920893
4151 acceleration/energy drift too large 4.38787227250577
4152 21.6276639104141 split increased to 2 itime 921366
4154 acceleration/energy drift too large 3.19740832964449
4155 10.1014459500854 split increased to 2 itime 921375
4157 acceleration/energy drift too large 7.38527854588811
4158 29.6312062575902 split increased to 2 itime 921552
4160 acceleration/energy drift too large 0.438305168966215
4161 10.5232281253846 split increased to 2 itime 921553
4163 acceleration/energy drift too large 1.58109993029180
4164 14.7565363565881 split increased to 2 itime 921769
4166 acceleration/energy drift too large 5.67760329803003
4167 22.2165147218619 split increased to 2 itime 922374
4169 acceleration/energy drift too large 12.2130329960643
4170 70.1010473279690 split increased to 2 itime 922481
4172 acceleration/energy drift too large 8.60481415122008
4173 31.1592249184065 split increased to 2 itime 923609
4175 acceleration/energy drift too large 8.23813611453226
4176 32.1689412432831 split increased to 2 itime 923896
4178 acceleration/energy drift too large 1.06703222250487
4179 13.4953480246859 split increased to 2 itime 923897
4181 acceleration/energy drift too large 4.12304869493284
4182 15.3307047070699 split increased to 2 itime 924596
4184 acceleration/energy drift too large 9.22935151192767
4185 47.5203519308285 split increased to 2 itime 925930
4187 acceleration/energy drift too large 4.29060269682502
4188 21.6584126945005 split increased to 2 itime 926384
4190 acceleration/energy drift too large 3.72724613327602
4191 11.7006581107728 split increased to 2 itime 926784
4193 acceleration/energy drift too large 9.90482414129620
4194 32.5056758649788 split increased to 2 itime 927004
4196 acceleration/energy drift too large 4.68488846071996
4197 19.5894347673683 split increased to 2 itime 927131
4199 acceleration/energy drift too large 5.79449162997045
4200 15.0490214221326 split increased to 2 itime 927860
4202 acceleration/energy drift too large 3.80198701355842
4203 14.4179139400938 split increased to 2 itime 927922
4205 acceleration/energy drift too large 5.33716600225005
4206 10.5087033948092 split increased to 2 itime 927964
4208 acceleration/energy drift too large 4.71105565978845
4209 15.7922639658713 split increased to 2 itime 928961
4211 acceleration/energy drift too large 6.08600055206621
4212 21.4112799856860 split increased to 2 itime 929176
4214 Velocities reset to random values, time 185999.80
4215 acceleration/energy drift too large 4.47317438085271
4216 13.9918727493533 split increased to 2 itime 930716
4218 acceleration/energy drift too large 7.61542398160146
4219 20.9377285698323 split increased to 2 itime 930936
4221 acceleration/energy drift too large 5.84231354053295
4222 11.9979614683458 split increased to 2 itime 931112
4224 acceleration/energy drift too large 5.14036544416182
4225 13.2956735478108 split increased to 2 itime 931812
4227 acceleration/energy drift too large 12.4085325018450
4228 72.9235885011681 split increased to 2 itime 931956
4230 acceleration/energy drift too large 4.25445784132679
4231 19.7286268432905 split increased to 2 itime 931988
4233 acceleration/energy drift too large 9.30921243877480
4234 40.2095483022950 split increased to 2 itime 932199
4236 acceleration/energy drift too large 7.35008464542795
4237 21.7813388810560 split increased to 2 itime 932200
4239 acceleration/energy drift too large 1.48243780969227
4240 10.6102583561273 split increased to 2 itime 932201
4242 acceleration/energy drift too large 4.25633512692957
4243 12.1440705603712 split increased to 2 itime 933754
4245 acceleration/energy drift too large 8.99919094893868
4246 36.5826445520266 split increased to 2 itime 933767
4248 acceleration/energy drift too large 4.68498523088640
4249 21.4274055628450 split increased to 2 itime 934373
4251 acceleration/energy drift too large 3.72150962358112
4252 14.6551097639788 split increased to 2 itime 935499
4254 acceleration/energy drift too large 2.96165562232275
4255 12.8539171781291 split increased to 2 itime 935923
4257 acceleration/energy drift too large 3.03855160784851
4258 12.5300022063457 split increased to 2 itime 937073
4260 acceleration/energy drift too large 7.60834068261137
4261 19.2801094092748 split increased to 2 itime 937329
4263 acceleration/energy drift too large 3.91825253642270
4264 10.5284529658647 split increased to 2 itime 937379
4266 acceleration/energy drift too large 12.8377656694859
4267 66.2483337549252 split increased to 2 itime 939014
4269 acceleration/energy drift too large 5.68191649703531
4270 30.6533963098847 split increased to 2 itime 939506
4272 Velocities reset to random values, time 187999.80
4273 acceleration/energy drift too large 5.24740822173693
4274 25.0947241812972 split increased to 2 itime 940152
4276 acceleration/energy drift too large 4.48255840922835
4277 18.0958424953358 split increased to 2 itime 941590
4279 acceleration/energy drift too large 3.82879880331392
4280 15.8016757913401 split increased to 2 itime 942863
4282 acceleration/energy drift too large 5.43918886244314
4283 27.8890555309109 split increased to 2 itime 943738
4285 acceleration/energy drift too large 4.19823988057940
4286 14.1900815764153 split increased to 2 itime 944063
4288 acceleration/energy drift too large 3.10258815927535
4289 10.8904351399417 split increased to 2 itime 945234
4291 acceleration/energy drift too large 1.95775952733817
4292 11.5335341263733 split increased to 2 itime 946027
4294 acceleration/energy drift too large 7.69451164938157
4295 32.3971720271101 split increased to 2 itime 946129
4297 acceleration/energy drift too large 3.78812930180239
4298 13.0566190076797 split increased to 2 itime 946137
4300 acceleration/energy drift too large 3.34611334403611
4301 11.0468787276732 split increased to 2 itime 946168
4303 acceleration/energy drift too large 6.02605362164031
4304 12.0312683397919 split increased to 2 itime 946722
4306 acceleration/energy drift too large 6.01642971241327
4307 12.9319001467940 split increased to 2 itime 946801
4309 acceleration/energy drift too large 5.04887898131533
4310 10.1685634966359 split increased to 2 itime 947009
4312 acceleration/energy drift too large 5.16001033979912
4313 14.4744643571712 split increased to 2 itime 947612
4315 acceleration/energy drift too large 4.07991984644002
4316 23.3995076657738 split increased to 2 itime 947620
4318 acceleration/energy drift too large 4.11639392149935
4319 12.9072302676626 split increased to 2 itime 948104
4321 acceleration/energy drift too large 3.04719165085300
4322 13.1226507930868 split increased to 2 itime 948317
4324 acceleration/energy drift too large 5.09789646580244
4325 10.0500170251243 split increased to 2 itime 948393
4327 acceleration/energy drift too large 5.45734651817151
4328 15.8517923503394 split increased to 2 itime 949390
4330 acceleration/energy drift too large 11.4665036224663
4331 62.6447240694330 split increased to 2 itime 949453
4333 acceleration/energy drift too large 4.08603411271666
4334 11.2556477421009 split increased to 2 itime 949465
4336 Velocities reset to random values, time 189999.80
4337 acceleration/energy drift too large 5.85287446296466
4338 14.9991102514819 split increased to 2 itime 950305
4340 acceleration/energy drift too large 3.71477119655034
4341 16.3182533353808 split increased to 2 itime 950339
4343 acceleration/energy drift too large 2.83743387635930
4344 16.8383827088342 split increased to 2 itime 951329
4346 acceleration/energy drift too large 3.90670326374004
4347 15.3220640230232 split increased to 2 itime 953690
4349 acceleration/energy drift too large 2.62861239174918
4350 10.7410202238117 split increased to 2 itime 954006
4352 acceleration/energy drift too large 8.86715714960890
4353 32.9070869824575 split increased to 2 itime 954055
4355 acceleration/energy drift too large 7.22473560415109
4356 28.6103141790460 split increased to 2 itime 954440
4358 acceleration/energy drift too large 5.30416133201391
4359 11.4141641246531 split increased to 2 itime 954673
4361 acceleration/energy drift too large 5.94109047559299
4362 20.8563622923526 split increased to 2 itime 956224
4364 acceleration/energy drift too large 10.6676691962792
4365 54.2823662230696 split increased to 2 itime 956372
4367 acceleration/energy drift too large 3.11409700438409
4368 11.9370765376507 split increased to 2 itime 956373
4370 acceleration/energy drift too large 9.99337950790110
4371 50.6344725381340 split increased to 2 itime 957377
4373 acceleration/energy drift too large 8.76686080597280
4374 33.1394526880058 split increased to 2 itime 957624
4376 acceleration/energy drift too large 4.83868928694961
4377 15.2407387496088 split increased to 2 itime 959250
4379 Velocities reset to random values, time 191999.80
4380 acceleration/energy drift too large 6.42933846314199
4381 10.8511750843030 split increased to 2 itime 960109
4383 acceleration/energy drift too large 3.75593246380607
4384 11.3652767625915 split increased to 2 itime 961040
4386 acceleration/energy drift too large 4.06342056085148
4387 13.0522576387192 split increased to 2 itime 961573
4389 acceleration/energy drift too large 1.89710333313758
4390 13.1122808625410 split increased to 2 itime 963062
4392 acceleration/energy drift too large 4.23920866831200
4393 11.4845842268528 split increased to 2 itime 963422
4395 acceleration/energy drift too large 5.35973488462845
4396 24.8876589245069 split increased to 2 itime 964362
4398 acceleration/energy drift too large 14.6799926241109
4399 91.7903279572226 split increased to 2 itime 964694
4401 acceleration/energy drift too large 5.85462317938537
4402 24.4728598938659 split increased to 2 itime 966087
4404 acceleration/energy drift too large 6.67269614419787
4405 23.6469460395627 split increased to 2 itime 966156
4407 acceleration/energy drift too large 4.52312566278489
4408 13.0889079479931 split increased to 2 itime 966325
4410 acceleration/energy drift too large 5.47356410412379
4411 18.2121923372165 split increased to 2 itime 969072
4413 acceleration/energy drift too large 6.46212752820196
4414 21.4560259385226 split increased to 2 itime 969115
4416 Velocities reset to random values, time 193999.80
4417 acceleration/energy drift too large 7.59783226207096
4418 20.3838446732889 split increased to 2 itime 970164
4420 acceleration/energy drift too large 7.68605738823907
4421 25.7785069050754 split increased to 2 itime 971406
4423 acceleration/energy drift too large 3.34888668030859
4424 20.1752881212538 split increased to 2 itime 972465
4426 acceleration/energy drift too large 3.56399452097903
4427 12.8160196910087 split increased to 2 itime 972736
4429 acceleration/energy drift too large 4.82836545198027
4430 13.2089217090868 split increased to 2 itime 972779
4432 acceleration/energy drift too large 5.97141397664501
4433 15.1370584478844 split increased to 2 itime 976108
4435 acceleration/energy drift too large 10.5923629945406
4436 71.9190696934368 split increased to 2 itime 978542
4438 acceleration/energy drift too large 5.88501413398793
4439 13.5630053549221 split increased to 2 itime 978603
4441 acceleration/energy drift too large 4.63888612685780
4442 13.1342235544612 split increased to 2 itime 979238
4444 Velocities reset to random values, time 195999.80
4445 acceleration/energy drift too large 6.60743137668364
4446 16.6153955908116 split increased to 2 itime 980986
4448 acceleration/energy drift too large 7.92518090623341
4449 30.3280729314424 split increased to 2 itime 981068
4451 acceleration/energy drift too large 4.94810485676927
4452 11.0035827892719 split increased to 2 itime 981132
4454 acceleration/energy drift too large 8.33704383212318
4455 26.4873381265814 split increased to 2 itime 981351
4457 acceleration/energy drift too large 2.45411157116396
4458 14.4319185810067 split increased to 2 itime 981392
4460 acceleration/energy drift too large 5.06038857354386
4461 18.0610226812088 split increased to 2 itime 981581
4463 acceleration/energy drift too large 5.31079782616808
4464 19.5726040559181 split increased to 2 itime 983607
4466 acceleration/energy drift too large 5.12211749847086
4467 31.0571937142762 split increased to 2 itime 983656
4469 acceleration/energy drift too large 3.46727590646042
4470 10.4410338698411 split increased to 2 itime 983719
4472 acceleration/energy drift too large 5.15745027275192
4473 14.3517863433870 split increased to 2 itime 984132
4475 acceleration/energy drift too large 5.60382704448450
4476 33.8135120505602 split increased to 2 itime 984205
4478 acceleration/energy drift too large 10.7354551007698
4479 41.0754013691474 split increased to 2 itime 984760
4481 acceleration/energy drift too large 4.13227015195393
4482 13.2763627139170 split increased to 2 itime 986890
4484 acceleration/energy drift too large 5.24773554968488
4485 20.4821532794208 split increased to 2 itime 987203
4487 acceleration/energy drift too large 2.72906214504816
4488 13.2112571800807 split increased to 2 itime 987553
4490 acceleration/energy drift too large 6.78875247695467
4491 10.8197900661571 split increased to 2 itime 987865
4493 acceleration/energy drift too large 3.08908612570232
4494 17.0662214989227 split increased to 2 itime 988663
4496 acceleration/energy drift too large 2.12819697520283
4497 10.9914915667223 split increased to 2 itime 988970
4499 Velocities reset to random values, time 197999.80
4500 acceleration/energy drift too large 5.31336084563101
4501 20.1247269319571 split increased to 2 itime 993048
4503 acceleration/energy drift too large 4.01904876552316
4504 15.3342747479772 split increased to 2 itime 994096
4506 acceleration/energy drift too large 8.31183759775714
4507 33.8268155226665 split increased to 2 itime 994111
4509 acceleration/energy drift too large 6.01317140278755
4510 10.7920252565202 split increased to 2 itime 995266
4512 acceleration/energy drift too large 5.12941728574690
4513 11.8982786194202 split increased to 2 itime 995668
4515 acceleration/energy drift too large 5.57555697467394
4516 19.4554076874888 split increased to 2 itime 995915
4518 acceleration/energy drift too large 3.63926980681538
4519 10.4007927953560 split increased to 2 itime 996505
4521 acceleration/energy drift too large 2.74788309447201
4522 11.3400041220690 split increased to 2 itime 996905
4524 acceleration/energy drift too large 7.53816938717903
4525 12.3424458674330 split increased to 2 itime 997275
4527 acceleration/energy drift too large 5.59712098102105
4528 14.9258324621881 split increased to 2 itime 999687
4530 acceleration/energy drift too large 13.7419429546435
4531 88.2455049087783 split increased to 2 itime 999918
4533 Velocities reset to random values, time 199999.80
4534 REMD synchro at 1000000
4535 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
4537 writing restart at the end of run
4540 =================================== Timing ===================================
4542 MD calculations setup: 7.81250E-03
4543 Energy & gradient evaluation: 3.73910E+02
4544 Stochastic MD setup: 0.00000E+00
4545 Stochastic MD step setup: 0.00000E+00
4546 MD steps: 4.14270E+02
4549 ============================ End of MD calculation ===========================
4550 CG processor 0 is finishing work.
4551 Total wall clock time 414.292968750000 sec