1 --------------------------------------------------------------------------------
3 --------------------------------------------------------------------------------
4 Input file : 1L2Y_REMD.inp
5 Output file : 1L2Y_REMD.out_GB000
7 Sidechain potential file :
8 /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1
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 Wed Nov 20 08:38:19 EST 2013
35 Compiled by pk376@matrix.chem.cornell.edu
37 OS release: Linux-2.6.34.9-69.fc13.x86_64
38 Fortran Compiler: /opt/intel/Compiler/11.1/046/bin
41 CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN
42 G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX
44 ++++ End of compile info ++++
46 Potential is GB , exponents are 6 12
48 Disulfide bridge parameters:
49 S-S bridge energy: -5.50
50 d0cm: 3.78 akcm: 15.10
51 akth: 11.00 akct: 12.00
52 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
53 MPI: node= 0 iseed(4)= 0 0 -46
55 ran_num 6.422640197456531E-013
61 Time limit (min): 960.0
63 Library routine used to diagonalize matrices.
65 =========================== Parameters of the MD run ===========================
68 positions: angstrom, time: 48.9 fs
69 velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
70 energy: kcal/mol, temperature: K
72 Number of time steps: 1000000
73 Initial time step of numerical integration: 0.20000 natural units
75 A-MTS algorithm used; initial time step for fast-varying short-range forces split into 1 steps.
76 Short-range force cutoff 2.00 lambda 0.30
77 Maximum acceleration threshold to reduce the time step/increase split number: 10.00000
78 Maximum predicted energy drift to reduce the timestep/increase split number: 10.00000
79 Maximum velocity threshold to reduce velocities: 20.00000
80 Frequency of property output: 10000
81 Frequency of coordinate output: 10000
83 Langevin dynamics calculation with direct integration of Langevin equations
85 Temperature: 300.00000
86 Viscosity of the solvent: 0.89040
87 Radius of solvent molecule: 1.40000
88 Scaling factor of the friction forces: 0.02000
89 Eta of the solvent in natural units: 49.27846
91 Radii of site types and friction coefficients and std's of stochastic forces of fully exposed sites
93 p 5.00 6.30764 6.13033
94 CYS 5.00 6.30764 6.13033
95 MET 6.20 7.49033 6.68037
96 PHE 6.80 8.08167 6.93906
97 ILE 6.20 7.49033 6.68037
98 LEU 6.30 7.58888 6.72418
99 VAL 5.80 7.09610 6.50220
100 TRP 7.20 8.47589 7.10629
101 TYR 6.90 8.18022 6.98124
102 ALA 4.60 5.91342 5.93567
103 GLY 3.80 5.12496 5.52580
104 THR 5.60 6.89898 6.41125
105 SER 4.80 6.11053 6.03378
106 GLN 6.10 7.39177 6.63628
107 ASN 5.70 6.99754 6.45688
108 GLU 6.10 7.39177 6.63628
109 ASP 5.60 6.89898 6.41125
110 HIS 6.20 7.49033 6.68037
111 ARG 6.80 8.08167 6.93906
112 LYS 6.30 7.58888 6.72418
113 PRO 5.60 6.89898 6.41125
115 ============================== End of MD run setup =============================
123 tlist 250.000000000000 260.000000000000 270.000000000000
124 280.000000000000 290.000000000000 300.000000000000
125 310.000000000000 320.000000000000 330.000000000000
126 340.000000000000 350.000000000000 360.000000000000
127 370.000000000000 380.000000000000 390.000000000000
132 Total number of replicas 16
134 ============================== End of REMD run setup =============================
137 Energy-term weights (unscaled):
139 WSCC= 1.352790 (SC-SC)
140 WSCP= 1.593040 (SC-p)
141 WELEC= 0.715340 (p-p electr)
142 WVDWPP= 0.113710 (p-p VDW)
143 WBOND= 1.000000 (stretching)
144 WANG= 1.138730 (bending)
145 WSCLOC= 0.162580 (SC local)
146 WTOR= 1.985990 (torsional)
147 WTORD= 1.570690 (double torsional)
148 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
149 WEL_LOC= 0.160360 (multi-body 3-rd order)
150 WCORR4= 0.428870 (multi-body 4th order)
151 WCORR5= 0.000000 (multi-body 5th order)
152 WCORR6= 0.000000 (multi-body 6th order)
153 WSCCOR= 0.000000 (back-scloc correlation)
154 WTURN3= 1.687220 (turns, 3rd order)
155 WTURN4= 0.662300 (turns, 4th order)
156 WTURN6= 0.000000 (turns, 6th order)
158 Hydrogen-bonding correlation between contact pairs of peptide groups
160 Scaling factor of 1,4 SC-p interactions: 0.400
161 General scaling factor of SC-p interactions: 1.000
163 Energy-term weights (scaled):
165 WSCC= 1.352790 (SC-SC)
166 WSCP= 1.593040 (SC-p)
167 WELEC= 0.715340 (p-p electr)
168 WVDWPP= 0.113710 (p-p VDW)
169 WBOND= 1.000000 (stretching)
170 WANG= 1.138730 (bending)
171 WSCLOC= 0.162580 (SC local)
172 WTOR= 1.985990 (torsional)
173 WTORD= 1.570690 (double torsional)
174 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
175 WEL_LOC= 0.160360 (multi-body 3-rd order)
176 WCORR4= 0.428870 (multi-body 4th order)
177 WCORR5= 0.000000 (multi-body 5th order)
178 WCORR6= 0.000000 (multi-body 6th order)
179 WSCCOR= 0.000000 (back-scloc correlatkion)
180 WTURN3= 1.687220 (turns, 3rd order)
181 WTURN4= 0.662300 (turns, 4th order)
182 WTURN6= 0.000000 (turns, 6th order)
183 Reference temperature for weights calculation: 300.000000000000
184 Parameters of the SS-bond potential:
185 D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
186 11.0000000000000 AKCT 12.0000000000000
187 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
189 EBR -5.50000000000000 SS_DEPTH -7.39571661678271
190 HT 0.000000000000000E+000
191 PDB data will be read from file ../../../1L2Y.pdb
193 Backbone and SC coordinates as read from the PDB
194 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
195 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437
196 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850
197 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
198 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074
199 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853
200 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
201 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799
202 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
203 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
204 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
205 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
206 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
207 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
208 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
209 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
210 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
211 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
212 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
213 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
214 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
215 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
216 nsup= 20 nstart_sup= 2
240 Boundaries in phi angle sampling:
264 nsup= 20 nstart_sup= 2 nstart_seq= 2
265 NZ_START= 2 NZ_END= 21
267 Contact order: 0.308441558441558
268 Shifting contacts: 2 2
283 Extended chain initial geometry.
285 Geometry of the virtual chain.
286 Res d Theta Gamma Dsc Alpha Beta
287 D 1 0.000 0.000 0.000 0.000 0.000 0.000
288 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
289 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
290 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
291 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
292 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
293 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
294 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
295 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
296 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
297 GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000
298 GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000
299 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
300 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
301 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
302 GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000
303 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
304 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
305 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
306 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
307 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
308 D 22 3.800 90.000 180.000 0.000 0.000 0.000
311 ********************************************************************************
312 Processor 0: end reading molecular data.
313 ********************************************************************************
316 Replica exchange molecular dynamics (REMD) calculation.
318 ********************************************************************************
322 MREMD 8 time before 4.687500000000000E-002
324 i2rep 1 2 3 4 5 6 7 8
325 i2set 1 1 1 1 1 1 1 1
326 i,j,il,il1,i_index(i,j,il,il1)
344 REMD Temperature: 250.00000
345 ====================MD calculation start====================
346 Initial velocities randomly generated
348 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000
349 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
350 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619
351 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528
352 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991
353 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426
354 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072
355 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136
356 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398
357 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194
358 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819
359 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000
360 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000
361 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181
362 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927
363 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988
364 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000
365 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353
366 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480
367 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718
368 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591
369 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044
370 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
371 Calling the zero-angular momentum subroutine
372 vcm right after adjustment:
373 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017
376 alpha-carbon coordinates centroid coordinates
378 D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
379 ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044
380 LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795
381 TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147
382 ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530
383 GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291
384 TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994
385 LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795
386 LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786
387 ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078
388 GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000
389 GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000
390 PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456
391 SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587
392 SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587
393 GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000
394 ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767
395 PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456
396 PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456
397 PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456
398 SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587
399 D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000
401 Geometry of the virtual chain.
402 Res d Theta Gamma Dsc Alpha Beta
403 D 1 0.000 0.000 0.000 0.000 0.000 0.000
404 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000
405 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000
406 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000
407 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000
408 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000
409 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000
410 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000
411 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000
412 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000
413 GLY 11 3.800 90.000 180.000 0.000 0.000 180.000
414 GLY 12 3.800 90.000 180.000 0.000 0.000 180.000
415 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000
416 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000
417 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000
418 GLY 16 3.800 90.000 180.000 0.000 0.000 180.000
419 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000
420 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000
421 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000
422 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000
423 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000
424 D 22 3.800 90.000 180.000 0.000 0.000 180.000
425 Potential energy and its components
427 Virtual-chain energies:
429 EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC)
430 EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p)
431 EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p)
432 EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW)
433 ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching)
434 EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending)
435 ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local)
436 ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional)
437 ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional)
438 EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.)
439 ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body)
440 ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body)
441 ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body)
442 EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local)
443 ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order)
444 ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order)
445 ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order)
446 ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr)
447 EDIHC= 0.000000E+00 (dihedral angle constraints)
448 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
449 UCONST= 0.000000E+00 (Constraint energy)
450 ETOT= 2.264125E+01 (total)
453 Kinetic energy 2.63515E+01
454 potential energy 2.26412E+01
455 total energy 4.89928E+01
457 maximum acceleration 9.59318E-01
459 Setup time 6.250000000000000E-002
460 acceleration/energy drift too large 5.63918106737272
461 35.3571855162741 split increased to 2 itime 1028
463 acceleration/energy drift too large 10.8729823992228
464 52.3145846329672 split increased to 2 itime 1056
466 acceleration/energy drift too large 3.28536102197664
467 11.7411501261499 split increased to 2 itime 1284
469 acceleration/energy drift too large 5.14796605170366
470 25.5944222483776 split increased to 2 itime 1464
472 acceleration/energy drift too large 4.30555535081426
473 12.0515261611403 split increased to 2 itime 1613
475 acceleration/energy drift too large 5.94717809136189
476 10.3896136034960 split increased to 2 itime 1652
478 acceleration/energy drift too large 10.2204359471954
479 24.1891695096049 split increased to 2 itime 1662
481 acceleration/energy drift too large 2.44352174824906
482 15.1453549172462 split increased to 2 itime 1880
484 acceleration/energy drift too large 4.70471505415219
485 14.3697900658259 split increased to 2 itime 2169
487 acceleration/energy drift too large 2.36696298044121
488 11.5481023464904 split increased to 2 itime 2988
490 acceleration/energy drift too large 3.11001725079099
491 11.6433912909899 split increased to 2 itime 2989
493 acceleration/energy drift too large 3.63283289763953
494 13.5411725430095 split increased to 2 itime 3193
496 acceleration/energy drift too large 4.47921557608526
497 11.9938670711319 split increased to 2 itime 3425
499 acceleration/energy drift too large 8.91525490425866
500 42.6973845999645 split increased to 2 itime 3662
502 acceleration/energy drift too large 7.05435429203365
503 19.2288496136548 split increased to 2 itime 3663
505 acceleration/energy drift too large 4.68246766404941
506 25.4676990523523 split increased to 2 itime 3937
508 acceleration/energy drift too large 4.49544109901394
509 28.2205277759573 split increased to 2 itime 4350
511 acceleration/energy drift too large 3.84092228572669
512 19.3324496146227 split increased to 2 itime 4951
514 acceleration/energy drift too large 4.64153203464570
515 10.1801404441808 split increased to 2 itime 6769
517 acceleration/energy drift too large 5.07796478963469
518 13.2741701023061 split increased to 2 itime 6931
520 acceleration/energy drift too large 4.18814303625074
521 27.1119625402691 split increased to 2 itime 7842
523 acceleration/energy drift too large 3.39169805531536
524 10.3324838871765 split increased to 2 itime 8797
526 acceleration/energy drift too large 3.50043607321272
527 25.7966304934517 split increased to 2 itime 9616
529 acceleration/energy drift too large 2.62285471235274
530 11.8319450262330 split increased to 2 itime 10764
532 acceleration/energy drift too large 2.16115195113438
533 11.0979197640116 split increased to 2 itime 11010
535 acceleration/energy drift too large 3.07932134835063
536 22.8366668952950 split increased to 2 itime 11241
538 acceleration/energy drift too large 6.89071594777647
539 16.6274454383628 split increased to 2 itime 13539
541 acceleration/energy drift too large 8.04340932794725
542 21.3639306285702 split increased to 2 itime 14319
544 acceleration/energy drift too large 13.4467048311970
545 70.5032897793779 split increased to 2 itime 14346
547 acceleration/energy drift too large 3.85144891410892
548 22.4563961669407 split increased to 2 itime 14390
550 acceleration/energy drift too large 5.49359064817051
551 18.3214897780854 split increased to 2 itime 14701
553 acceleration/energy drift too large 2.63347046167346
554 10.8011272807313 split increased to 2 itime 16123
556 acceleration/energy drift too large 2.37252164101140
557 10.0208029603040 split increased to 2 itime 16148
559 acceleration/energy drift too large 6.81894093676270
560 25.1133974477313 split increased to 2 itime 16666
562 acceleration/energy drift too large 5.02639672515953
563 38.5450806123208 split increased to 2 itime 16957
565 acceleration/energy drift too large 3.29230213990233
566 12.8682786761299 split increased to 2 itime 18553
568 acceleration/energy drift too large 5.58321685105274
569 13.0721496773453 split increased to 2 itime 19557
571 acceleration/energy drift too large 11.4141101491608
572 57.3686331453835 split increased to 2 itime 19636
574 acceleration/energy drift too large 2.72191053725797
575 13.3423503274378 split increased to 4 itime 19636
577 acceleration/energy drift too large 3.43807708156927
578 12.8108481669393 split increased to 2 itime 20554
580 acceleration/energy drift too large 4.01017110729673
581 11.6262771507421 split increased to 2 itime 21590
583 acceleration/energy drift too large 3.15493106749717
584 19.3017873000702 split increased to 2 itime 21638
586 acceleration/energy drift too large 4.99772490386704
587 13.0993452444689 split increased to 2 itime 22369
589 acceleration/energy drift too large 3.75783880578601
590 10.2013700416861 split increased to 2 itime 22562
592 acceleration/energy drift too large 4.80981678325877
593 11.9977359761756 split increased to 2 itime 24031
595 acceleration/energy drift too large 2.47732674467058
596 10.8948782515287 split increased to 2 itime 24847
598 acceleration/energy drift too large 13.4640950242825
599 125.047283850475 split increased to 2 itime 25440
601 acceleration/energy drift too large 3.58314504573760
602 14.4500196135448 split increased to 4 itime 25440
604 acceleration/energy drift too large 5.04824018885210
605 15.8361545775069 split increased to 2 itime 26725
607 acceleration/energy drift too large 4.36035907773934
608 10.6716890009158 split increased to 2 itime 26866
610 acceleration/energy drift too large 12.6663032769869
611 56.9234494407235 split increased to 2 itime 27001
613 acceleration/energy drift too large 2.64325020681395
614 12.3491706106436 split increased to 4 itime 27001
616 acceleration/energy drift too large 6.41512050094965
617 15.1041870349427 split increased to 2 itime 27035
619 acceleration/energy drift too large 3.74516194471741
620 11.5017789098039 split increased to 2 itime 27125
622 acceleration/energy drift too large 6.29261702853444
623 16.7293063203290 split increased to 2 itime 27647
625 acceleration/energy drift too large 7.47098605918827
626 23.8508160077668 split increased to 2 itime 28803
628 acceleration/energy drift too large 6.30271162717393
629 12.7628672754401 split increased to 2 itime 29991
631 acceleration/energy drift too large 5.54986684291316
632 19.4528888820941 split increased to 2 itime 30047
634 acceleration/energy drift too large 6.34572216646319
635 12.4653243392076 split increased to 2 itime 30049
637 acceleration/energy drift too large 5.55482687422360
638 13.6199842088656 split increased to 2 itime 30057
640 acceleration/energy drift too large 6.95060901150181
641 13.6408588613389 split increased to 2 itime 30059
643 acceleration/energy drift too large 5.73954928734024
644 12.1213607224673 split increased to 2 itime 30071
646 acceleration/energy drift too large 2.84073418788950
647 10.1139425826687 split increased to 2 itime 30820
649 acceleration/energy drift too large 5.86409442748216
650 22.6716503125443 split increased to 2 itime 31189
652 acceleration/energy drift too large 10.9541895939377
653 51.8985245073042 split increased to 2 itime 31530
655 acceleration/energy drift too large 2.59770862061949
656 11.8706998198693 split increased to 4 itime 31530
658 acceleration/energy drift too large 4.22864557277935
659 21.7239295763887 split increased to 2 itime 32547
661 acceleration/energy drift too large 13.8438279263302
662 106.191166832147 split increased to 2 itime 32909
664 acceleration/energy drift too large 6.54942310822148
665 23.0654746132271 split increased to 2 itime 33631
667 acceleration/energy drift too large 12.1939973661612
668 87.6826735717594 split increased to 2 itime 33635
670 acceleration/energy drift too large 7.27570857673955
671 23.2112289421643 split increased to 2 itime 33962
673 acceleration/energy drift too large 3.85553746116164
674 15.4451093356813 split increased to 2 itime 34184
676 acceleration/energy drift too large 4.14576824322283
677 13.4350031698828 split increased to 2 itime 34201
679 acceleration/energy drift too large 6.93816987403713
680 15.0855934532604 split increased to 2 itime 34363
682 acceleration/energy drift too large 4.47954255680826
683 17.4722735906525 split increased to 2 itime 34530
685 acceleration/energy drift too large 1.44179325647977
686 12.9249136682216 split increased to 4 itime 34530
688 acceleration/energy drift too large 2.62285837341333
689 15.0000428149156 split increased to 2 itime 34606
691 acceleration/energy drift too large 5.61369312635986
692 17.7320034406705 split increased to 2 itime 34671
694 acceleration/energy drift too large 3.76717711157113
695 13.3052357716413 split increased to 2 itime 35409
697 acceleration/energy drift too large 4.48808286292798
698 12.2726670400669 split increased to 2 itime 35686
700 acceleration/energy drift too large 5.93308215003441
701 15.6469473964777 split increased to 2 itime 35841
703 acceleration/energy drift too large 5.33636814429521
704 12.9138167925720 split increased to 2 itime 37165
706 acceleration/energy drift too large 2.72290810352853
707 10.7189912450791 split increased to 2 itime 37876
709 acceleration/energy drift too large 7.14868437520244
710 29.3379921896970 split increased to 2 itime 38499
712 acceleration/energy drift too large 4.59020477605162
713 23.8834530863281 split increased to 2 itime 39032
715 acceleration/energy drift too large 5.99735856564086
716 16.7413538069089 split increased to 2 itime 39105
718 acceleration/energy drift too large 5.34150761973903
719 13.6252361360669 split increased to 2 itime 39266
721 acceleration/energy drift too large 6.17660191694107
722 15.6196409080652 split increased to 2 itime 39670
724 acceleration/energy drift too large 9.06174203657497
725 29.5191425043196 split increased to 2 itime 39952
727 acceleration/energy drift too large 2.41321173108030
728 12.2013160755494 split increased to 2 itime 40171
730 acceleration/energy drift too large 5.39337308151622
731 19.4706537380226 split increased to 2 itime 40295
733 acceleration/energy drift too large 4.56774578611308
734 15.4860881951383 split increased to 2 itime 40618
736 acceleration/energy drift too large 2.95868181634345
737 11.1487862718852 split increased to 2 itime 42247
739 acceleration/energy drift too large 4.69495367211433
740 12.9812938213575 split increased to 2 itime 42314
742 acceleration/energy drift too large 11.0980476650334
743 45.8866926444603 split increased to 2 itime 42924
745 acceleration/energy drift too large 6.85293779517124
746 30.2115658818096 split increased to 2 itime 42959
748 acceleration/energy drift too large 5.57286922741466
749 18.8623681561010 split increased to 2 itime 42992
751 acceleration/energy drift too large 7.90781967798329
752 23.1367757227237 split increased to 2 itime 43128
754 acceleration/energy drift too large 4.34196457651407
755 12.9784414641500 split increased to 2 itime 43332
757 acceleration/energy drift too large 4.77705582667231
758 13.9256602698986 split increased to 2 itime 43333
760 acceleration/energy drift too large 9.21726196517588
761 20.4160826997983 split increased to 2 itime 43350
763 acceleration/energy drift too large 3.64701890979240
764 10.4384760773738 split increased to 2 itime 43707
766 acceleration/energy drift too large 4.55666857674334
767 23.9126897432624 split increased to 2 itime 46091
769 acceleration/energy drift too large 8.17219825739599
770 20.5859229021717 split increased to 2 itime 47798
772 acceleration/energy drift too large 4.70691925484453
773 27.4918862013750 split increased to 2 itime 48601
775 acceleration/energy drift too large 6.81664441642112
776 36.6802050022921 split increased to 2 itime 48846
778 acceleration/energy drift too large 4.50855971749213
779 17.8670925252033 split increased to 2 itime 51410
781 acceleration/energy drift too large 8.63002241735634
782 26.6137085188155 split increased to 2 itime 51421
784 acceleration/energy drift too large 3.93485080699537
785 11.3177827069448 split increased to 2 itime 53340
787 acceleration/energy drift too large 2.71319576501072
788 12.6841154182645 split increased to 2 itime 57655
790 acceleration/energy drift too large 3.28866921197398
791 11.1219189501471 split increased to 2 itime 57715
793 acceleration/energy drift too large 5.15915432944909
794 35.5962403316739 split increased to 2 itime 59198
796 acceleration/energy drift too large 10.6814875042828
797 52.8372656768800 split increased to 2 itime 59318
799 acceleration/energy drift too large 2.51286079612546
800 10.2505226181714 split increased to 2 itime 59458
802 acceleration/energy drift too large 5.41425056152957
803 29.5141317587388 split increased to 2 itime 62029
805 acceleration/energy drift too large 6.05550280158633
806 19.4682803761979 split increased to 2 itime 62759
808 acceleration/energy drift too large 6.24107069025594
809 17.7800627311053 split increased to 2 itime 62813
811 acceleration/energy drift too large 4.32323973696410
812 19.8338093099893 split increased to 2 itime 63177
814 acceleration/energy drift too large 4.65611730036295
815 15.1899104880647 split increased to 2 itime 63255
817 acceleration/energy drift too large 4.16036111525709
818 10.0593067222064 split increased to 2 itime 63345
820 acceleration/energy drift too large 3.92377906931795
821 16.8028456812701 split increased to 2 itime 63604
823 acceleration/energy drift too large 3.59861297460561
824 14.4455235613579 split increased to 2 itime 64243
826 acceleration/energy drift too large 10.9714370554461
827 56.5535712014564 split increased to 2 itime 66516
829 acceleration/energy drift too large 5.75575214717111
830 44.1111013285694 split increased to 2 itime 66643
832 acceleration/energy drift too large 2.50435027381742
833 12.4430168550362 split increased to 2 itime 67499
835 acceleration/energy drift too large 2.35510498491204
836 11.3573144733410 split increased to 2 itime 67505
838 acceleration/energy drift too large 1.51165152562169
839 16.1140123672560 split increased to 2 itime 67511
841 acceleration/energy drift too large 2.49498014480323
842 16.2130129792738 split increased to 2 itime 67512
844 acceleration/energy drift too large 3.53301627510174
845 12.5746657697493 split increased to 2 itime 67517
847 acceleration/energy drift too large 3.64623424471759
848 13.9642963252277 split increased to 2 itime 67518
850 acceleration/energy drift too large 3.45300103930126
851 10.0487847960034 split increased to 2 itime 67536
853 acceleration/energy drift too large 2.47923980385616
854 10.4751211942108 split increased to 2 itime 67544
856 acceleration/energy drift too large 3.40846390087046
857 10.4498025328995 split increased to 2 itime 67563
859 acceleration/energy drift too large 2.57824520705121
860 10.2401601280585 split increased to 2 itime 67580
862 acceleration/energy drift too large 5.01542852702226
863 15.4465033628673 split increased to 2 itime 69045
865 acceleration/energy drift too large 2.52533898833681
866 11.1005865518530 split increased to 2 itime 70062
868 acceleration/energy drift too large 9.46367102227206
869 46.3169642997431 split increased to 2 itime 72929
871 acceleration/energy drift too large 4.95466213715214
872 11.8827108164148 split increased to 2 itime 75654
874 acceleration/energy drift too large 11.3679575707500
875 67.6497354532070 split increased to 2 itime 76885
877 acceleration/energy drift too large 3.50123416185582
878 25.0787056487061 split increased to 2 itime 77287
880 acceleration/energy drift too large 9.38358974867411
881 42.6767849838563 split increased to 2 itime 77820
883 acceleration/energy drift too large 10.1711740543284
884 53.7029902053756 split increased to 2 itime 79424
886 acceleration/energy drift too large 11.1468755220041
887 54.4699277459658 split increased to 2 itime 81516
889 acceleration/energy drift too large 4.26880124333891
890 10.0568772608864 split increased to 2 itime 81705
892 acceleration/energy drift too large 8.57374541507521
893 34.6310067028717 split increased to 2 itime 84173
895 acceleration/energy drift too large 3.56623106209922
896 12.7238221412873 split increased to 2 itime 84174
898 acceleration/energy drift too large 1.98675147240097
899 10.3737256929119 split increased to 2 itime 84451
901 acceleration/energy drift too large 5.26834183662620
902 20.6490486506715 split increased to 2 itime 85129
904 acceleration/energy drift too large 6.16788937233679
905 12.5998581957218 split increased to 2 itime 86521
907 acceleration/energy drift too large 6.18650133326859
908 16.8845373890066 split increased to 2 itime 86780
910 acceleration/energy drift too large 7.34963479807984
911 23.8618488636752 split increased to 2 itime 86958
913 acceleration/energy drift too large 3.60805286127260
914 26.8650924619129 split increased to 2 itime 92565
916 acceleration/energy drift too large 4.63616507396913
917 18.1218734268102 split increased to 2 itime 92923
919 acceleration/energy drift too large 3.20459046543764
920 11.3620149147213 split increased to 2 itime 94519
922 acceleration/energy drift too large 4.59839148274791
923 10.5289471371568 split increased to 2 itime 94927
925 acceleration/energy drift too large 3.88452616887577
926 11.4717662571804 split increased to 2 itime 94954
928 acceleration/energy drift too large 4.81436846918973
929 14.8589513153011 split increased to 2 itime 96747
931 acceleration/energy drift too large 4.13296624004695
932 18.7294200832409 split increased to 2 itime 96803
934 REMD synchro at 100000
935 ntwx_cache 1 1 1 1 1 1 1 1
937 REMD gather times= 38.7382812500000 0.000000000000000E+000
938 REMD writing rst time= 0.000000000000000E+000
939 REMD writing traj time= 3.906250000000000E-003
941 ACC 1 250.00000 0.00000 1
942 ACC 2 260.00000 1.00000 1
943 ACC 3 270.00000 0.00000 1
944 ACC 4 280.00000 0.00000 1
945 ACC 5 290.00000 1.00000 1
946 ACC 6 300.00000 1.00000 1
947 ACC 7 310.00000 0.00000 1
948 REMD scatter time= 0.000000000000000E+000
949 REMD exchange time= 3.906250000000000E-003
950 acceleration/energy drift too large 3.13001505132709
951 10.1410210537227 split increased to 2 itime 103113
953 acceleration/energy drift too large 7.42879841185036
954 25.6372952805707 split increased to 2 itime 104417
956 acceleration/energy drift too large 7.64364978380072
957 24.9249302213754 split increased to 2 itime 104513
959 acceleration/energy drift too large 5.47929822869888
960 10.6755074492465 split increased to 2 itime 112758
962 acceleration/energy drift too large 2.59323537439544
963 17.4426821674308 split increased to 2 itime 114835
965 acceleration/energy drift too large 7.77242588523110
966 24.8411685599676 split increased to 2 itime 117401
968 acceleration/energy drift too large 7.24317506230297
969 20.4263142661891 split increased to 2 itime 118820
971 acceleration/energy drift too large 4.44232627491974
972 11.9474910751349 split increased to 2 itime 121712
974 acceleration/energy drift too large 12.2312904012305
975 69.8895282295434 split increased to 2 itime 122332
977 acceleration/energy drift too large 2.68948716219164
978 13.1544607788688 split increased to 4 itime 122332
980 acceleration/energy drift too large 5.26876723129406
981 13.3006676456201 split increased to 2 itime 124441
983 acceleration/energy drift too large 12.7465853577546
984 63.6049470107854 split increased to 2 itime 126614
986 acceleration/energy drift too large 5.57583553064118
987 12.7994856154252 split increased to 2 itime 127139
989 acceleration/energy drift too large 6.49157597489070
990 19.6322090462846 split increased to 2 itime 127851
992 acceleration/energy drift too large 5.25026781246343
993 12.8145055601479 split increased to 2 itime 131232
995 acceleration/energy drift too large 5.66924627720541
996 13.7051795777903 split increased to 2 itime 132820
998 acceleration/energy drift too large 9.30047742638298
999 42.8965056797306 split increased to 2 itime 134001
1001 acceleration/energy drift too large 6.40026454103283
1002 23.6616223330386 split increased to 2 itime 134848
1004 acceleration/energy drift too large 9.97652144920852
1005 66.6077377959504 split increased to 2 itime 135132
1007 acceleration/energy drift too large 6.18037926999215
1008 20.7376975255477 split increased to 2 itime 135663
1010 acceleration/energy drift too large 2.36662237546351
1011 12.0325046122621 split increased to 2 itime 135782
1013 acceleration/energy drift too large 6.04958147857810
1014 12.5633021311993 split increased to 2 itime 136924
1016 acceleration/energy drift too large 2.72752027234537
1017 10.0492616001534 split increased to 2 itime 137786
1019 acceleration/energy drift too large 3.19111068518775
1020 10.1549536065718 split increased to 2 itime 137810
1022 acceleration/energy drift too large 1.89086592180078
1023 10.5430451544192 split increased to 2 itime 137814
1025 acceleration/energy drift too large 4.12136106801102
1026 20.6102857463946 split increased to 2 itime 137815
1028 acceleration/energy drift too large 4.87297197361513
1029 19.6440491558279 split increased to 2 itime 137817
1031 acceleration/energy drift too large 2.52835526322204
1032 10.5464053099332 split increased to 2 itime 137831
1034 acceleration/energy drift too large 3.19756769138033
1035 11.1280935247013 split increased to 2 itime 137888
1037 acceleration/energy drift too large 3.99239830918571
1038 10.1402887640562 split increased to 2 itime 138109
1040 acceleration/energy drift too large 2.85739413532363
1041 10.8498840126343 split increased to 2 itime 138145
1043 acceleration/energy drift too large 3.01001304412240
1044 10.0935357908378 split increased to 2 itime 138151
1046 acceleration/energy drift too large 8.40595196882248
1047 35.2210040154239 split increased to 2 itime 138705
1049 acceleration/energy drift too large 9.45029521403067
1050 51.6979762502821 split increased to 2 itime 139871
1052 acceleration/energy drift too large 11.3435110140437
1053 63.6481517928780 split increased to 2 itime 140025
1055 acceleration/energy drift too large 6.46366366507642
1056 29.0283242294279 split increased to 2 itime 140521
1058 acceleration/energy drift too large 2.61839128387524
1059 11.2550018927665 split increased to 2 itime 140911
1061 acceleration/energy drift too large 7.23582151252076
1062 30.2181175613490 split increased to 2 itime 142067
1064 acceleration/energy drift too large 10.8814118035559
1065 58.1882935820638 split increased to 2 itime 142112
1067 acceleration/energy drift too large 2.21467060360381
1068 10.3990522051491 split increased to 4 itime 142112
1070 acceleration/energy drift too large 4.83485506215526
1071 17.9277544046312 split increased to 2 itime 144003
1073 acceleration/energy drift too large 2.52754955332185
1074 13.2325347565532 split increased to 2 itime 144145
1076 acceleration/energy drift too large 3.87494119558397
1077 12.1417911622164 split increased to 2 itime 145127
1079 acceleration/energy drift too large 3.87199279116245
1080 10.0042527945579 split increased to 2 itime 146125
1082 acceleration/energy drift too large 5.39897037014481
1083 11.3339401695928 split increased to 2 itime 146822
1085 acceleration/energy drift too large 7.42155988182577
1086 25.7613524933781 split increased to 2 itime 147616
1088 acceleration/energy drift too large 2.80266149033803
1089 10.9996493261778 split increased to 4 itime 147616
1091 acceleration/energy drift too large 7.58973261777039
1092 22.3660152429657 split increased to 2 itime 148058
1094 acceleration/energy drift too large 5.17139547861276
1095 19.9634552397798 split increased to 2 itime 148186
1097 acceleration/energy drift too large 4.54360168640624
1098 11.0825897451494 split increased to 2 itime 148884
1100 acceleration/energy drift too large 4.71375943824704
1101 10.5310501045105 split increased to 2 itime 153003
1103 acceleration/energy drift too large 9.65275342432152
1104 34.1717595902119 split increased to 2 itime 156012
1106 acceleration/energy drift too large 4.90110384942492
1107 11.6020983825840 split increased to 2 itime 156798
1109 acceleration/energy drift too large 5.36852467256297
1110 10.3720766327615 split increased to 2 itime 158530
1112 acceleration/energy drift too large 7.40545830393637
1113 14.6747676473396 split increased to 2 itime 160969
1115 acceleration/energy drift too large 9.12659927293890
1116 30.6102764859729 split increased to 2 itime 163366
1118 acceleration/energy drift too large 2.77722694232665
1119 10.1309552769653 split increased to 2 itime 163511
1121 acceleration/energy drift too large 9.50884608565895
1122 42.9729137572448 split increased to 2 itime 163909
1124 acceleration/energy drift too large 6.65771366027596
1125 19.8555530628809 split increased to 2 itime 164318
1127 acceleration/energy drift too large 5.96820989635850
1128 19.2326239707547 split increased to 2 itime 165220
1130 acceleration/energy drift too large 3.67821602103221
1131 17.7580861535272 split increased to 2 itime 167790
1133 acceleration/energy drift too large 2.35245705592491
1134 14.8649115573439 split increased to 2 itime 171003
1136 acceleration/energy drift too large 3.24018786889419
1137 10.9840237481048 split increased to 2 itime 171349
1139 acceleration/energy drift too large 7.00285639505922
1140 23.2267720986572 split increased to 2 itime 173092
1142 acceleration/energy drift too large 3.10138324026833
1143 19.6335899775080 split increased to 2 itime 174774
1145 acceleration/energy drift too large 5.48712030859221
1146 12.1902891390279 split increased to 2 itime 177748
1148 acceleration/energy drift too large 7.39288081134376
1149 25.0252962859053 split increased to 2 itime 178867
1151 acceleration/energy drift too large 14.2049630020930
1152 82.4851005368670 split increased to 2 itime 179961
1154 acceleration/energy drift too large 12.4992230706220
1155 68.9829023642656 split increased to 2 itime 181396
1157 acceleration/energy drift too large 8.21876582046392
1158 22.4354633339393 split increased to 2 itime 182423
1160 acceleration/energy drift too large 4.55198593085840
1161 12.4986998366427 split increased to 2 itime 182610
1163 acceleration/energy drift too large 1.98471593053076
1164 10.5005773497063 split increased to 2 itime 183272
1166 acceleration/energy drift too large 1.84045052411735
1167 10.6382039394232 split increased to 2 itime 183283
1169 acceleration/energy drift too large 4.29843197213379
1170 11.2074223052897 split increased to 2 itime 183966
1172 acceleration/energy drift too large 5.39826905153061
1173 14.5798751862008 split increased to 2 itime 186530
1175 acceleration/energy drift too large 2.87609480268576
1176 11.8710428236899 split increased to 2 itime 186827
1178 acceleration/energy drift too large 7.47547233919371
1179 24.0262906498115 split increased to 2 itime 188303
1181 acceleration/energy drift too large 10.2406420582556
1182 52.5408665219639 split increased to 2 itime 190866
1184 acceleration/energy drift too large 8.41073242555718
1185 32.3241599874662 split increased to 2 itime 191321
1187 acceleration/energy drift too large 2.38648582316814
1188 13.2283650440058 split increased to 2 itime 191720
1190 acceleration/energy drift too large 3.99432484994876
1191 10.6910181885213 split increased to 2 itime 195038
1193 acceleration/energy drift too large 6.45766060344522
1194 11.1633127065760 split increased to 2 itime 195606
1196 acceleration/energy drift too large 5.82290105260023
1197 20.4461866223593 split increased to 2 itime 196263
1199 acceleration/energy drift too large 9.71023984330179
1200 42.9650712341454 split increased to 2 itime 198720
1202 acceleration/energy drift too large 10.1872791579988
1203 52.6925621346871 split increased to 2 itime 199835
1205 REMD synchro at 200000
1206 ntwx_cache 1 1 1 1 1 1 1 1
1208 REMD gather times= 78.4375000000000 0.000000000000000E+000
1209 REMD writing rst time= 0.000000000000000E+000
1210 REMD writing traj time= 3.906250000000000E-003
1212 ACC 1 250.00000 0.00000 2
1213 ACC 2 260.00000 1.00000 2
1214 ACC 3 270.00000 0.50000 2
1215 ACC 4 280.00000 0.50000 2
1216 ACC 5 290.00000 0.50000 2
1217 ACC 6 300.00000 1.00000 2
1218 ACC 7 310.00000 0.50000 2
1219 REMD scatter time= 0.000000000000000E+000
1220 REMD exchange time= 3.906250000000000E-003
1221 acceleration/energy drift too large 12.2084485626411
1222 53.6108638583661 split increased to 2 itime 200051
1224 acceleration/energy drift too large 2.53810576881656
1225 11.4808941276954 split increased to 4 itime 200051
1227 acceleration/energy drift too large 7.55872018123679
1228 29.7927212748254 split increased to 2 itime 201009
1230 acceleration/energy drift too large 8.95224165869119
1231 27.8983319151703 split increased to 2 itime 205406
1233 acceleration/energy drift too large 9.07098645266622
1234 38.6032995124068 split increased to 2 itime 208750
1236 acceleration/energy drift too large 13.1754113330734
1237 90.1809833178590 split increased to 2 itime 208775
1239 acceleration/energy drift too large 8.68604181889735
1240 33.4372463370927 split increased to 2 itime 209150
1242 acceleration/energy drift too large 2.45260108494234
1243 11.9763295654877 split increased to 2 itime 209568
1245 acceleration/energy drift too large 8.33655843070247
1246 23.5659169703030 split increased to 2 itime 210592
1248 acceleration/energy drift too large 6.40284348209486
1249 18.2833200959135 split increased to 2 itime 215211
1251 acceleration/energy drift too large 15.3435710635003
1252 106.134828552885 split increased to 2 itime 215759
1254 acceleration/energy drift too large 7.72564258503192
1255 29.2105405852435 split increased to 2 itime 216380
1257 acceleration/energy drift too large 8.03076727820753
1258 33.8398247413509 split increased to 2 itime 217032
1260 acceleration/energy drift too large 1.79885122075765
1261 14.6974936613242 split increased to 2 itime 217033
1263 acceleration/energy drift too large 3.42984444970851
1264 25.4748699041339 split increased to 2 itime 217766
1266 acceleration/energy drift too large 9.92133896073913
1267 46.1141390371501 split increased to 2 itime 220551
1269 acceleration/energy drift too large 3.86581732121221
1270 12.6818810062393 split increased to 2 itime 225885
1272 acceleration/energy drift too large 4.75556207989291
1273 23.7514322447296 split increased to 2 itime 229101
1275 acceleration/energy drift too large 5.96454573739078
1276 15.1323178318082 split increased to 2 itime 230540
1278 acceleration/energy drift too large 3.42487620865555
1279 10.3721888933533 split increased to 2 itime 231526
1281 acceleration/energy drift too large 3.98801109571964
1282 16.1502365642523 split increased to 2 itime 232127
1284 acceleration/energy drift too large 7.08469640313974
1285 23.1904142397815 split increased to 2 itime 234644
1287 acceleration/energy drift too large 4.93775003788783
1288 26.3669011701329 split increased to 2 itime 238322
1290 acceleration/energy drift too large 2.86865279559611
1291 11.8612338762924 split increased to 2 itime 238780
1293 acceleration/energy drift too large 14.9987157615550
1294 96.2927253197508 split increased to 2 itime 242801
1296 acceleration/energy drift too large 11.1887830328447
1297 52.7840892820987 split increased to 2 itime 244036
1299 acceleration/energy drift too large 2.17365828266367
1300 19.5481246997944 split increased to 2 itime 246615
1302 acceleration/energy drift too large 1.74346672463242
1303 10.2694527887976 split increased to 2 itime 246620
1305 acceleration/energy drift too large 13.6510241983959
1306 84.0580108248525 split increased to 2 itime 249654
1308 acceleration/energy drift too large 4.66616138520528
1309 15.2142327775412 split increased to 2 itime 250520
1311 acceleration/energy drift too large 6.99562401956982
1312 22.8419897904330 split increased to 2 itime 251418
1314 acceleration/energy drift too large 3.99280691445085
1315 28.2701787869753 split increased to 2 itime 254716
1317 acceleration/energy drift too large 2.38701850151646
1318 10.4971632893545 split increased to 2 itime 256229
1320 acceleration/energy drift too large 6.29779030790586
1321 25.8730097264853 split increased to 2 itime 258121
1323 acceleration/energy drift too large 7.44525875256638
1324 39.3836564068932 split increased to 2 itime 258707
1326 acceleration/energy drift too large 12.4135413288451
1327 55.5102788257445 split increased to 2 itime 259403
1329 acceleration/energy drift too large 2.65543237745000
1330 12.0025509471393 split increased to 2 itime 265674
1332 acceleration/energy drift too large 2.06613873680979
1333 12.2617485722993 split increased to 2 itime 265681
1335 acceleration/energy drift too large 3.13762773440860
1336 10.8292687716040 split increased to 2 itime 265683
1338 acceleration/energy drift too large 2.81285555564065
1339 10.9593771113962 split increased to 2 itime 265692
1341 acceleration/energy drift too large 3.38952210418907
1342 14.0784694161536 split increased to 2 itime 265890
1344 acceleration/energy drift too large 11.1001329471798
1345 51.8536583414426 split increased to 2 itime 266749
1347 acceleration/energy drift too large 7.80939107915785
1348 22.7586465545398 split increased to 2 itime 267371
1350 acceleration/energy drift too large 4.33983222209805
1351 12.2111350298332 split increased to 2 itime 270506
1353 acceleration/energy drift too large 3.63291128698837
1354 10.1576368425821 split increased to 2 itime 271178
1356 acceleration/energy drift too large 2.54247680609218
1357 10.1803463167128 split increased to 2 itime 274561
1359 acceleration/energy drift too large 3.07126177362703
1360 10.0445037538388 split increased to 2 itime 274693
1362 acceleration/energy drift too large 2.49757231335019
1363 10.2344073261167 split increased to 2 itime 274758
1365 acceleration/energy drift too large 5.49775122601844
1366 13.2721919813381 split increased to 2 itime 280580
1368 acceleration/energy drift too large 5.01330379975365
1369 18.6797560492280 split increased to 2 itime 281897
1371 acceleration/energy drift too large 2.19453561861262
1372 10.1661175165272 split increased to 2 itime 283308
1374 acceleration/energy drift too large 4.19230346213308
1375 13.7416301125946 split increased to 2 itime 283534
1377 acceleration/energy drift too large 10.7575306802793
1378 56.2501450627783 split increased to 2 itime 291227
1380 acceleration/energy drift too large 4.70277060063352
1381 11.0147728582671 split increased to 2 itime 291642
1383 acceleration/energy drift too large 6.06761348131801
1384 19.5350047137485 split increased to 2 itime 292810
1386 acceleration/energy drift too large 2.45355661794724
1387 10.0668239644584 split increased to 2 itime 299351
1389 acceleration/energy drift too large 2.61841955106773
1390 10.9013641768885 split increased to 2 itime 299463
1392 acceleration/energy drift too large 2.64006131933536
1393 17.3861906171351 split increased to 2 itime 299880
1395 REMD synchro at 300000
1396 ntwx_cache 1 1 1 1 1 1 1 1
1398 REMD gather times= 118.109375000000 0.000000000000000E+000
1399 REMD writing rst time= 0.000000000000000E+000
1400 REMD writing traj time= 0.000000000000000E+000
1402 ACC 1 250.00000 0.00000 3
1403 ACC 2 260.00000 1.00000 3
1404 ACC 3 270.00000 0.66667 3
1405 ACC 4 280.00000 0.33333 3
1406 ACC 5 290.00000 0.66667 3
1407 ACC 6 300.00000 1.00000 3
1408 ACC 7 310.00000 0.33333 3
1409 REMD scatter time= 0.000000000000000E+000
1410 REMD exchange time= 0.000000000000000E+000
1411 acceleration/energy drift too large 4.72793967015098
1412 15.1752628844156 split increased to 2 itime 300756
1414 acceleration/energy drift too large 4.66040627613142
1415 23.4182183203648 split increased to 2 itime 300911
1417 acceleration/energy drift too large 3.61596973682947
1418 15.0953045151588 split increased to 2 itime 301915
1420 acceleration/energy drift too large 3.66210427036869
1421 14.2418825586096 split increased to 2 itime 303554
1423 acceleration/energy drift too large 4.67370280541112
1424 18.8431776909442 split increased to 2 itime 304417
1426 acceleration/energy drift too large 1.45602157451694
1427 16.2795388291869 split increased to 2 itime 304418
1429 acceleration/energy drift too large 2.99435547775342
1430 11.7038953281149 split increased to 2 itime 304584
1432 acceleration/energy drift too large 11.0831346111954
1433 58.0964280669970 split increased to 2 itime 311730
1435 acceleration/energy drift too large 4.81510104681937
1436 17.8281621572103 split increased to 2 itime 314056
1438 acceleration/energy drift too large 6.40786411222459
1439 22.9634805792219 split increased to 2 itime 316288
1441 acceleration/energy drift too large 7.54219908503625
1442 25.5996617916688 split increased to 2 itime 317694
1444 acceleration/energy drift too large 2.09454046209944
1445 10.2517218977358 split increased to 2 itime 320285
1447 acceleration/energy drift too large 4.80102152897987
1448 29.9677296310039 split increased to 2 itime 325606
1450 acceleration/energy drift too large 3.56737180697507
1451 20.2125978686371 split increased to 2 itime 326037
1453 acceleration/energy drift too large 7.22713320417288
1454 22.2475233785378 split increased to 2 itime 329471
1456 acceleration/energy drift too large 6.82800698438666
1457 20.7980271650654 split increased to 2 itime 334536
1459 acceleration/energy drift too large 4.96338155418168
1460 12.4474381848688 split increased to 2 itime 335036
1462 acceleration/energy drift too large 4.53507186381455
1463 14.2045366308279 split increased to 2 itime 335677
1465 acceleration/energy drift too large 4.62972647630605
1466 12.5550411995306 split increased to 2 itime 336192
1468 acceleration/energy drift too large 6.06755998182457
1469 27.8886634979340 split increased to 2 itime 336238
1471 acceleration/energy drift too large 2.83496922734442
1472 12.0452628164488 split increased to 2 itime 341105
1474 acceleration/energy drift too large 5.70499867575682
1475 18.6330729513646 split increased to 2 itime 341729
1477 acceleration/energy drift too large 10.2509021064175
1478 54.3307812079466 split increased to 2 itime 343627
1480 acceleration/energy drift too large 4.53567379925911
1481 15.5787465032927 split increased to 2 itime 344765
1483 acceleration/energy drift too large 2.34910412647582
1484 11.4066831717411 split increased to 2 itime 345135
1486 acceleration/energy drift too large 3.34112593912448
1487 12.3503628231198 split increased to 2 itime 345809
1489 acceleration/energy drift too large 3.92054093281767
1490 10.3619888680073 split increased to 2 itime 345957
1492 acceleration/energy drift too large 4.60188697922431
1493 13.5374110552558 split increased to 2 itime 346379
1495 acceleration/energy drift too large 3.72544866392539
1496 10.3183611689152 split increased to 2 itime 347557
1498 acceleration/energy drift too large 5.06628129110537
1499 11.1652123159367 split increased to 2 itime 348951
1501 acceleration/energy drift too large 4.16072166864979
1502 18.9931939795688 split increased to 2 itime 349363
1504 acceleration/energy drift too large 2.29507012800224
1505 10.9139930650483 split increased to 2 itime 350122
1507 acceleration/energy drift too large 4.29322202576090
1508 10.9735591274698 split increased to 2 itime 350795
1510 acceleration/energy drift too large 9.82286353074248
1511 44.0750951110660 split increased to 2 itime 351103
1513 acceleration/energy drift too large 4.08168175575937
1514 18.9210472126944 split increased to 2 itime 356037
1516 acceleration/energy drift too large 3.90699506859462
1517 10.1145620328750 split increased to 2 itime 357297
1519 acceleration/energy drift too large 4.45667366680077
1520 13.1513532966716 split increased to 2 itime 357386
1522 acceleration/energy drift too large 2.93896860614967
1523 10.9492343401078 split increased to 2 itime 357539
1525 acceleration/energy drift too large 4.19998924610281
1526 11.3378070198131 split increased to 2 itime 357603
1528 acceleration/energy drift too large 6.87404532260868
1529 16.8515227764894 split increased to 2 itime 358947
1531 acceleration/energy drift too large 5.27316141157960
1532 24.1435435160295 split increased to 2 itime 361684
1534 acceleration/energy drift too large 4.47229702050832
1535 13.4202958101381 split increased to 2 itime 368819
1537 acceleration/energy drift too large 6.25758447509473
1538 18.9183394314035 split increased to 2 itime 369261
1540 acceleration/energy drift too large 6.12288706322436
1541 36.7787192796118 split increased to 2 itime 371873
1543 acceleration/energy drift too large 2.71939078146220
1544 10.6363014882108 split increased to 2 itime 376517
1546 acceleration/energy drift too large 4.02947389765559
1547 10.1322742203006 split increased to 2 itime 376527
1549 acceleration/energy drift too large 5.60607543290980
1550 22.8571536437450 split increased to 2 itime 377009
1552 acceleration/energy drift too large 5.08356101092109
1553 11.2211356159098 split increased to 2 itime 377568
1555 acceleration/energy drift too large 4.69946442072449
1556 13.9777696212737 split increased to 2 itime 381318
1558 acceleration/energy drift too large 9.34069644899130
1559 34.0555605910648 split increased to 2 itime 383493
1561 acceleration/energy drift too large 6.27248498501550
1562 10.4039078718275 split increased to 2 itime 390244
1564 acceleration/energy drift too large 6.52577007005597
1565 26.6490801364831 split increased to 2 itime 390544
1567 acceleration/energy drift too large 5.41096965651657
1568 19.4284264358583 split increased to 2 itime 391032
1570 acceleration/energy drift too large 9.65886191056836
1571 33.8381494710579 split increased to 2 itime 393221
1573 acceleration/energy drift too large 11.9468472090546
1574 82.4751608104003 split increased to 2 itime 393729
1576 acceleration/energy drift too large 10.4699304006037
1577 58.5649932729230 split increased to 2 itime 394997
1579 acceleration/energy drift too large 2.20445882038501
1580 10.9818511065717 split increased to 2 itime 396057
1582 acceleration/energy drift too large 8.06703128456995
1583 30.8844960251752 split increased to 2 itime 397072
1585 acceleration/energy drift too large 6.72810857639519
1586 23.1823116638008 split increased to 2 itime 398147
1588 REMD synchro at 400000
1589 ntwx_cache 1 1 1 1 1 1 1 1
1591 REMD gather times= 157.765625000000 0.000000000000000E+000
1592 REMD writing rst time= 0.000000000000000E+000
1593 REMD writing traj time= 3.906250000000000E-003
1595 ACC 1 250.00000 0.00000 4
1596 ACC 2 260.00000 1.00000 4
1597 ACC 3 270.00000 0.50000 4
1598 ACC 4 280.00000 0.25000 4
1599 ACC 5 290.00000 0.75000 4
1600 ACC 6 300.00000 1.00000 4
1601 ACC 7 310.00000 0.50000 4
1602 REMD scatter time= 0.000000000000000E+000
1603 REMD exchange time= 3.906250000000000E-003
1604 acceleration/energy drift too large 6.76528137629433
1605 18.9152164268437 split increased to 2 itime 400595
1607 acceleration/energy drift too large 6.35716823717715
1608 22.3062693248204 split increased to 2 itime 400699
1610 acceleration/energy drift too large 7.84809751161058
1611 21.2742956213607 split increased to 2 itime 401493
1613 acceleration/energy drift too large 11.4558871023131
1614 62.8925907237390 split increased to 2 itime 401804
1616 acceleration/energy drift too large 7.22266505466903
1617 20.7052003144113 split increased to 2 itime 401902
1619 acceleration/energy drift too large 6.37515539426735
1620 14.6428901601758 split increased to 2 itime 403244
1622 acceleration/energy drift too large 3.16725001786478
1623 11.2539011497379 split increased to 2 itime 406744
1625 acceleration/energy drift too large 3.62993852531751
1626 31.3732987741173 split increased to 2 itime 410866
1628 acceleration/energy drift too large 5.41633694707513
1629 17.8770337551578 split increased to 2 itime 411286
1631 acceleration/energy drift too large 2.46400733597370
1632 15.6735292023452 split increased to 2 itime 412255
1634 acceleration/energy drift too large 5.53308107445780
1635 17.4155467837664 split increased to 2 itime 415799
1637 acceleration/energy drift too large 5.94983636372315
1638 15.9623114605275 split increased to 2 itime 416125
1640 acceleration/energy drift too large 8.67810320012529
1641 29.0968437798901 split increased to 2 itime 417402
1643 acceleration/energy drift too large 4.35569399050208
1644 11.7334556399489 split increased to 2 itime 417622
1646 acceleration/energy drift too large 3.30596955710362
1647 10.3409002377787 split increased to 2 itime 418656
1649 acceleration/energy drift too large 4.93867457636622
1650 10.6515985115818 split increased to 2 itime 419477
1652 acceleration/energy drift too large 3.91663018910074
1653 23.3003716403585 split increased to 2 itime 420627
1655 acceleration/energy drift too large 7.96978572029989
1656 28.4042731793131 split increased to 2 itime 424491
1658 acceleration/energy drift too large 4.48312086924299
1659 10.8838591539524 split increased to 2 itime 424548
1661 acceleration/energy drift too large 5.20276394284693
1662 15.5571360489642 split increased to 2 itime 428294
1664 acceleration/energy drift too large 11.9895150656543
1665 68.2021702707443 split increased to 2 itime 429107
1667 acceleration/energy drift too large 3.54220051490668
1668 10.4024163466329 split increased to 2 itime 429115
1670 acceleration/energy drift too large 2.69599872727365
1671 10.7305518426037 split increased to 2 itime 429134
1673 acceleration/energy drift too large 1.54786601754391
1674 10.9032473998093 split increased to 2 itime 431099
1676 acceleration/energy drift too large 7.63630639282310
1677 13.8009359657687 split increased to 2 itime 436405
1679 acceleration/energy drift too large 2.51122897290491
1680 11.8305425090823 split increased to 2 itime 440551
1682 acceleration/energy drift too large 2.72166804342636
1683 11.2495723220724 split increased to 2 itime 440605
1685 acceleration/energy drift too large 8.58877959848657
1686 33.3066132338974 split increased to 2 itime 440685
1688 acceleration/energy drift too large 6.33750986692049
1689 19.1689970666315 split increased to 2 itime 440738
1691 acceleration/energy drift too large 2.79915952607211
1692 19.5073471065654 split increased to 2 itime 442200
1694 acceleration/energy drift too large 3.69702427548960
1695 14.8047535374368 split increased to 2 itime 442201
1697 acceleration/energy drift too large 2.67479726465997
1698 10.7673797010477 split increased to 2 itime 442302
1700 acceleration/energy drift too large 1.76317474317928
1701 11.1030106400444 split increased to 2 itime 443059
1703 acceleration/energy drift too large 3.96725090425869
1704 33.2671258782010 split increased to 2 itime 443223
1706 acceleration/energy drift too large 1.99657748054833
1707 10.9742134976835 split increased to 2 itime 446835
1709 acceleration/energy drift too large 4.92437873951666
1710 12.3199097274015 split increased to 2 itime 447236
1712 acceleration/energy drift too large 7.81784117413882
1713 27.1356400374625 split increased to 2 itime 447913
1715 acceleration/energy drift too large 2.66934366627334
1716 10.4915529948296 split increased to 2 itime 448803
1718 acceleration/energy drift too large 8.07905592534353
1719 37.3855141278889 split increased to 2 itime 450743
1721 acceleration/energy drift too large 5.23840632032607
1722 12.3565337729949 split increased to 2 itime 455141
1724 acceleration/energy drift too large 1.52507795198408
1725 17.2799920842790 split increased to 2 itime 456808
1727 acceleration/energy drift too large 12.7657768637565
1728 64.7909622775309 split increased to 2 itime 457747
1730 acceleration/energy drift too large 3.33487566661482
1731 10.1332690372463 split increased to 2 itime 458191
1733 acceleration/energy drift too large 5.51042171311435
1734 16.6632476738072 split increased to 2 itime 459182
1736 acceleration/energy drift too large 7.48058882220526
1737 25.5950893777778 split increased to 2 itime 459619
1739 acceleration/energy drift too large 6.12341381013875
1740 19.0354985676417 split increased to 2 itime 462589
1742 acceleration/energy drift too large 3.33172805964860
1743 19.0486627654567 split increased to 2 itime 462613
1745 acceleration/energy drift too large 5.92891045235391
1746 17.5473584248474 split increased to 2 itime 463149
1748 acceleration/energy drift too large 3.40840410584659
1749 10.2156551066010 split increased to 2 itime 463285
1751 acceleration/energy drift too large 9.30094460396799
1752 39.0892939049737 split increased to 2 itime 463541
1754 acceleration/energy drift too large 4.65707318395544
1755 11.2117054420582 split increased to 2 itime 464281
1757 acceleration/energy drift too large 2.20965772608548
1758 10.2683540118625 split increased to 2 itime 466139
1760 acceleration/energy drift too large 4.17932083821145
1761 10.4065741232833 split increased to 2 itime 476085
1763 acceleration/energy drift too large 7.84940588562164
1764 30.5183689193394 split increased to 2 itime 476144
1766 acceleration/energy drift too large 8.11452023297231
1767 31.9023003444632 split increased to 2 itime 480400
1769 acceleration/energy drift too large 4.59919596486169
1770 11.4657765327672 split increased to 2 itime 481016
1772 acceleration/energy drift too large 6.69913238415660
1773 24.5262799740877 split increased to 2 itime 482369
1775 acceleration/energy drift too large 2.80257553068563
1776 13.3756754786089 split increased to 2 itime 482422
1778 acceleration/energy drift too large 8.34424220263782
1779 34.0555270237589 split increased to 2 itime 482496
1781 acceleration/energy drift too large 9.89802922063932
1782 46.7905628492208 split increased to 2 itime 482786
1784 acceleration/energy drift too large 14.7486480514098
1785 82.2416743122557 split increased to 2 itime 485237
1787 acceleration/energy drift too large 10.9918933227943
1788 48.2171417205249 split increased to 2 itime 488387
1790 acceleration/energy drift too large 13.5248934694627
1791 84.6187689370187 split increased to 2 itime 491024
1793 acceleration/energy drift too large 5.12004566117031
1794 12.5006640685325 split increased to 2 itime 491217
1796 acceleration/energy drift too large 4.62378699181046
1797 15.7359452150762 split increased to 2 itime 494842
1799 acceleration/energy drift too large 1.94131773374966
1800 10.6642856388911 split increased to 2 itime 495263
1802 acceleration/energy drift too large 4.53882651100607
1803 11.0913514520934 split increased to 2 itime 496963
1805 acceleration/energy drift too large 7.46393772452495
1806 22.0642266192114 split increased to 2 itime 497257
1808 REMD synchro at 500000
1809 ntwx_cache 1 1 1 1 1 1 1 1
1811 REMD gather times= 197.445312500000 0.000000000000000E+000
1812 REMD writing rst time= 3.906250000000000E-003
1813 REMD writing traj time= 0.000000000000000E+000
1815 ACC 1 250.00000 0.00000 5
1816 ACC 2 260.00000 1.00000 5
1817 ACC 3 270.00000 0.40000 5
1818 ACC 4 280.00000 0.40000 5
1819 ACC 5 290.00000 0.60000 5
1820 ACC 6 300.00000 1.00000 5
1821 ACC 7 310.00000 0.40000 5
1822 REMD scatter time= 0.000000000000000E+000
1823 REMD exchange time= 3.906250000000000E-003
1824 acceleration/energy drift too large 7.50900403416654
1825 27.5446702958400 split increased to 2 itime 501014
1827 acceleration/energy drift too large 4.17725480895850
1828 16.5702840974671 split increased to 2 itime 502332
1830 acceleration/energy drift too large 6.07618123970452
1831 16.2153805601781 split increased to 2 itime 508590
1833 acceleration/energy drift too large 5.70606727506766
1834 20.5520815829891 split increased to 2 itime 509010
1836 acceleration/energy drift too large 6.72570158634208
1837 16.4640984868293 split increased to 2 itime 509786
1839 acceleration/energy drift too large 4.53506047192253
1840 13.0484215372048 split increased to 2 itime 510538
1842 acceleration/energy drift too large 1.87811346239179
1843 10.3978009288242 split increased to 2 itime 511753
1845 acceleration/energy drift too large 5.19686138921645
1846 14.4934502883267 split increased to 2 itime 512188
1848 acceleration/energy drift too large 8.60220207215693
1849 32.4842881295725 split increased to 2 itime 514390
1851 acceleration/energy drift too large 5.83605475997747
1852 18.7719989795466 split increased to 2 itime 514516
1854 acceleration/energy drift too large 2.05216156218067
1855 13.1325218209728 split increased to 2 itime 515487
1857 acceleration/energy drift too large 4.83151104409780
1858 15.6556824051344 split increased to 2 itime 517886
1860 acceleration/energy drift too large 8.90677205774902
1861 13.2991113522715 split increased to 2 itime 518470
1863 acceleration/energy drift too large 1.55873228437365
1864 12.0513858644168 split increased to 2 itime 520971
1866 acceleration/energy drift too large 7.99757097323012
1867 30.8828168917488 split increased to 2 itime 521609
1869 acceleration/energy drift too large 3.52049942844456
1870 18.8951828831860 split increased to 2 itime 522108
1872 acceleration/energy drift too large 4.93743449703613
1873 17.9454216587535 split increased to 2 itime 523546
1875 acceleration/energy drift too large 2.79201637010132
1876 24.2223230662151 split increased to 2 itime 524775
1878 acceleration/energy drift too large 6.47990626841869
1879 36.2402149933173 split increased to 2 itime 525363
1881 acceleration/energy drift too large 4.88856873583990
1882 12.3650472445267 split increased to 2 itime 527272
1884 acceleration/energy drift too large 6.16379767003773
1885 21.8070799438585 split increased to 2 itime 527301
1887 acceleration/energy drift too large 4.97636809161150
1888 11.8041846185277 split increased to 2 itime 527353
1890 acceleration/energy drift too large 9.55099015129207
1891 42.2847404202911 split increased to 2 itime 528247
1893 acceleration/energy drift too large 3.47427601801362
1894 10.1565218321010 split increased to 2 itime 529135
1896 acceleration/energy drift too large 5.96113520468168
1897 14.8429759199479 split increased to 2 itime 529457
1899 acceleration/energy drift too large 8.13103043172691
1900 28.0486466013811 split increased to 2 itime 529548
1902 acceleration/energy drift too large 7.68241904278665
1903 27.3133029302084 split increased to 2 itime 530307
1905 acceleration/energy drift too large 3.11642780074165
1906 10.5219589054614 split increased to 2 itime 530323
1908 acceleration/energy drift too large 2.02144803008016
1909 11.4790652715456 split increased to 2 itime 530325
1911 acceleration/energy drift too large 2.29682887329730
1912 14.7605803097151 split increased to 2 itime 532731
1914 acceleration/energy drift too large 8.19520495969552
1915 28.5654973088707 split increased to 2 itime 532780
1917 acceleration/energy drift too large 4.05476930810241
1918 11.3930943167692 split increased to 2 itime 534942
1920 acceleration/energy drift too large 10.3642150714910
1921 53.6221261442702 split increased to 2 itime 538600
1923 acceleration/energy drift too large 4.78560840039094
1924 10.3408445630894 split increased to 2 itime 541784
1926 acceleration/energy drift too large 6.31930777616046
1927 22.4948240815235 split increased to 2 itime 546755
1929 acceleration/energy drift too large 7.79044231117698
1930 30.4068529368244 split increased to 2 itime 548082
1932 acceleration/energy drift too large 2.50625057638106
1933 12.3065710978013 split increased to 2 itime 549302
1935 acceleration/energy drift too large 3.29112150249386
1936 10.3748523901260 split increased to 2 itime 549748
1938 acceleration/energy drift too large 8.20055199987064
1939 33.6536206544168 split increased to 2 itime 551042
1941 acceleration/energy drift too large 4.23522658046993
1942 14.7884631941625 split increased to 2 itime 556278
1944 acceleration/energy drift too large 5.68944954689445
1945 35.9193089656826 split increased to 2 itime 557135
1947 acceleration/energy drift too large 6.21365084988955
1948 17.9957887195218 split increased to 2 itime 557750
1950 acceleration/energy drift too large 2.25582035030492
1951 11.4193003567222 split increased to 2 itime 558642
1953 acceleration/energy drift too large 13.5317692717754
1954 79.0834859515207 split increased to 2 itime 560207
1956 acceleration/energy drift too large 2.52404544420669
1957 11.1503300947159 split increased to 4 itime 560207
1959 acceleration/energy drift too large 5.69416189719272
1960 12.5795838067874 split increased to 2 itime 566902
1962 acceleration/energy drift too large 5.73126540227734
1963 10.6350922275790 split increased to 2 itime 567690
1965 acceleration/energy drift too large 2.90765212451102
1966 15.5761231645314 split increased to 2 itime 567695
1968 acceleration/energy drift too large 11.5885351457228
1969 58.8666841095515 split increased to 2 itime 567900
1971 acceleration/energy drift too large 2.12757217708945
1972 13.0872110744824 split increased to 2 itime 571361
1974 acceleration/energy drift too large 8.69640960950267
1975 37.9694952926861 split increased to 2 itime 571785
1977 acceleration/energy drift too large 5.68034348404928
1978 19.8833474102247 split increased to 2 itime 574060
1980 acceleration/energy drift too large 3.72877291300232
1981 12.5902366796661 split increased to 2 itime 574597
1983 acceleration/energy drift too large 3.57608189291435
1984 13.0454019801732 split increased to 2 itime 578281
1986 acceleration/energy drift too large 5.33415794604788
1987 22.7449980891698 split increased to 2 itime 579693
1989 acceleration/energy drift too large 3.06973229604473
1990 22.3495355826886 split increased to 2 itime 581686
1992 acceleration/energy drift too large 6.24898956712644
1993 21.3035538708782 split increased to 2 itime 582487
1995 acceleration/energy drift too large 5.19134079220393
1996 10.9790768794968 split increased to 2 itime 582656
1998 acceleration/energy drift too large 6.80197608164520
1999 29.3999508366813 split increased to 2 itime 583899
2001 acceleration/energy drift too large 3.17695027724316
2002 10.5313182869027 split increased to 2 itime 585507
2004 acceleration/energy drift too large 1.59906457598754
2005 12.1399017422161 split increased to 2 itime 586237
2007 acceleration/energy drift too large 1.72651279818246
2008 12.4840963225588 split increased to 2 itime 586357
2010 acceleration/energy drift too large 5.34385290161771
2011 11.2362647432214 split increased to 2 itime 589286
2013 acceleration/energy drift too large 8.30516435779183
2014 25.9971879374983 split increased to 2 itime 589804
2016 acceleration/energy drift too large 4.88846891091825
2017 10.0939699741975 split increased to 2 itime 589999
2019 acceleration/energy drift too large 2.58282828753721
2020 10.4085396105576 split increased to 2 itime 590004
2022 acceleration/energy drift too large 4.66440413772390
2023 11.2421302629400 split increased to 2 itime 590374
2025 acceleration/energy drift too large 17.3948840685740
2026 102.625829844118 split increased to 2 itime 590925
2028 acceleration/energy drift too large 3.71413260669478
2029 20.6170389786129 split increased to 4 itime 590925
2031 acceleration/energy drift too large 5.51494013469141
2032 16.0336040785288 split increased to 2 itime 592224
2034 acceleration/energy drift too large 4.45216777613609
2035 10.0183789134888 split increased to 2 itime 592225
2037 acceleration/energy drift too large 3.10040440846196
2038 10.3541903991900 split increased to 2 itime 592563
2040 acceleration/energy drift too large 5.36627123022187
2041 10.2780892272313 split increased to 2 itime 595104
2043 acceleration/energy drift too large 2.44173381520636
2044 13.8192908210974 split increased to 2 itime 595446
2046 acceleration/energy drift too large 9.69263911904402
2047 44.3222562049126 split increased to 2 itime 597435
2049 acceleration/energy drift too large 12.0335115752171
2050 57.6104710240538 split increased to 2 itime 598577
2052 acceleration/energy drift too large 2.79641289552280
2053 13.4043077783830 split increased to 4 itime 598577
2055 acceleration/energy drift too large 2.22726855821489
2056 10.1267312261811 split increased to 2 itime 599309
2058 REMD synchro at 600000
2059 ntwx_cache 1 1 1 1 1 1 1 1
2061 REMD gather times= 237.109375000000 0.000000000000000E+000
2062 REMD writing rst time= 3.906250000000000E-003
2063 REMD writing traj time= 0.000000000000000E+000
2065 ACC 1 250.00000 0.16667 6
2066 ACC 2 260.00000 1.00000 6
2067 ACC 3 270.00000 0.33333 6
2068 ACC 4 280.00000 0.50000 6
2069 ACC 5 290.00000 0.66667 6
2070 ACC 6 300.00000 1.00000 6
2071 ACC 7 310.00000 0.50000 6
2072 REMD scatter time= 0.000000000000000E+000
2073 REMD exchange time= 3.906250000000000E-003
2074 acceleration/energy drift too large 5.58546343444704
2075 15.0548641884903 split increased to 2 itime 601878
2077 acceleration/energy drift too large 5.52809146262567
2078 17.4916928437900 split increased to 2 itime 602411
2080 acceleration/energy drift too large 5.27520661432915
2081 28.4260245745983 split increased to 2 itime 604903
2083 acceleration/energy drift too large 10.7091604673618
2084 48.6458205610094 split increased to 2 itime 605354
2086 acceleration/energy drift too large 13.3983519341439
2087 68.9624238506460 split increased to 2 itime 605983
2089 acceleration/energy drift too large 3.16205608757604
2090 15.4900686421038 split increased to 4 itime 605983
2092 acceleration/energy drift too large 2.66091884482526
2093 13.3206883662034 split increased to 2 itime 606006
2095 acceleration/energy drift too large 6.08358463547764
2096 27.1217834383387 split increased to 2 itime 609632
2098 acceleration/energy drift too large 6.25250056843083
2099 11.4491403874430 split increased to 2 itime 609684
2101 acceleration/energy drift too large 4.83622938333850
2102 13.0407062469096 split increased to 2 itime 610728
2104 acceleration/energy drift too large 2.95605734475806
2105 11.9787969223421 split increased to 2 itime 611550
2107 acceleration/energy drift too large 13.4930954611733
2108 73.9062338473796 split increased to 2 itime 614180
2110 acceleration/energy drift too large 2.91153716177087
2111 15.8821454416596 split increased to 4 itime 614180
2113 acceleration/energy drift too large 4.06572241737329
2114 11.8108467775741 split increased to 2 itime 615925
2116 acceleration/energy drift too large 2.62647171683830
2117 13.0013702410149 split increased to 2 itime 616220
2119 acceleration/energy drift too large 4.05099726855354
2120 11.3958267635391 split increased to 2 itime 616626
2122 acceleration/energy drift too large 4.16491863219391
2123 10.6155862426420 split increased to 2 itime 618680
2125 acceleration/energy drift too large 2.41942223273229
2126 10.9988570424266 split increased to 2 itime 622690
2128 acceleration/energy drift too large 6.27090818302612
2129 17.8341402870532 split increased to 2 itime 623203
2131 acceleration/energy drift too large 3.30319687192904
2132 10.6416920545302 split increased to 2 itime 623301
2134 acceleration/energy drift too large 4.41300470265790
2135 11.7638616535732 split increased to 2 itime 627403
2137 acceleration/energy drift too large 3.09923768567914
2138 10.7253101609193 split increased to 2 itime 631853
2140 acceleration/energy drift too large 5.62796992462099
2141 10.3503562492554 split increased to 2 itime 632864
2143 acceleration/energy drift too large 2.96135814596404
2144 10.1756354165387 split increased to 2 itime 635363
2146 acceleration/energy drift too large 2.80933381483433
2147 10.3437431241457 split increased to 2 itime 635467
2149 acceleration/energy drift too large 3.23269975789914
2150 10.4154201891087 split increased to 2 itime 635502
2152 acceleration/energy drift too large 10.4255130609354
2153 47.4938112377871 split increased to 2 itime 638911
2155 acceleration/energy drift too large 5.87198866748517
2156 18.7968098752258 split increased to 2 itime 640260
2158 acceleration/energy drift too large 1.90355444256178
2159 10.0243694970490 split increased to 2 itime 643660
2161 acceleration/energy drift too large 6.00662908239308
2162 18.5934523705130 split increased to 2 itime 646880
2164 acceleration/energy drift too large 7.49660344390383
2165 20.5238748314072 split increased to 2 itime 647821
2167 acceleration/energy drift too large 2.73347226218210
2168 10.6018274332205 split increased to 2 itime 651091
2170 acceleration/energy drift too large 4.95846274240792
2171 17.4485778837620 split increased to 2 itime 651610
2173 acceleration/energy drift too large 4.45714053539027
2174 13.3830812958228 split increased to 2 itime 651859
2176 acceleration/energy drift too large 5.22466369019300
2177 13.5535213352147 split increased to 2 itime 651860
2179 acceleration/energy drift too large 3.83020050998954
2180 12.3136388280477 split increased to 2 itime 654074
2182 acceleration/energy drift too large 8.19583179155746
2183 26.5283706841122 split increased to 2 itime 656670
2185 acceleration/energy drift too large 5.52015940770695
2186 30.6647644951820 split increased to 2 itime 656826
2188 acceleration/energy drift too large 6.15072083966337
2189 16.7381585501766 split increased to 2 itime 657528
2191 acceleration/energy drift too large 3.35944508135426
2192 13.3468361226162 split increased to 2 itime 657566
2194 acceleration/energy drift too large 3.92379124958539
2195 23.8904289152300 split increased to 2 itime 660743
2197 acceleration/energy drift too large 6.27215536868314
2198 19.7485597493940 split increased to 2 itime 660953
2200 acceleration/energy drift too large 5.58874584037967
2201 21.3180473977209 split increased to 2 itime 662305
2203 acceleration/energy drift too large 2.47105745086375
2204 10.8315379730362 split increased to 2 itime 664015
2206 acceleration/energy drift too large 4.14784651207851
2207 12.6777020756079 split increased to 2 itime 664447
2209 acceleration/energy drift too large 6.61942475059945
2210 22.7582893899522 split increased to 2 itime 666018
2212 acceleration/energy drift too large 6.05590419311435
2213 16.7644675771342 split increased to 2 itime 666084
2215 acceleration/energy drift too large 4.71957983398420
2216 10.5101148846043 split increased to 2 itime 671495
2218 acceleration/energy drift too large 5.87757269010418
2219 14.7966932352975 split increased to 2 itime 676781
2221 acceleration/energy drift too large 4.70268396608510
2222 11.6312329467050 split increased to 2 itime 680262
2224 acceleration/energy drift too large 2.30741255261367
2225 12.7487854698828 split increased to 2 itime 683617
2227 acceleration/energy drift too large 2.67744296955034
2228 10.8174126600248 split increased to 2 itime 684868
2230 acceleration/energy drift too large 2.24912250262123
2231 10.0170929220302 split increased to 2 itime 684964
2233 acceleration/energy drift too large 4.56958484558269
2234 11.9543016156776 split increased to 2 itime 685024
2236 acceleration/energy drift too large 4.69120876127575
2237 13.2506867305285 split increased to 2 itime 685270
2239 acceleration/energy drift too large 4.24753499051130
2240 14.0617669655862 split increased to 2 itime 686190
2242 acceleration/energy drift too large 5.65742273820710
2243 15.3199501889026 split increased to 2 itime 691808
2245 acceleration/energy drift too large 2.71552843573751
2246 20.9363108725842 split increased to 2 itime 696360
2248 acceleration/energy drift too large 2.68882845348470
2249 10.8476205629594 split increased to 2 itime 696431
2251 acceleration/energy drift too large 2.55133505303908
2252 10.0691708036634 split increased to 2 itime 696453
2254 REMD synchro at 700000
2255 ntwx_cache 1 1 1 1 1 1 1 1
2257 REMD gather times= 277.035156250000 0.000000000000000E+000
2258 REMD writing rst time= 7.812500000000000E-003
2259 REMD writing traj time= 0.000000000000000E+000
2261 ACC 1 250.00000 0.14286 7
2262 ACC 2 260.00000 0.85714 7
2263 ACC 3 270.00000 0.42857 7
2264 ACC 4 280.00000 0.42857 7
2265 ACC 5 290.00000 0.57143 7
2266 ACC 6 300.00000 1.00000 7
2267 ACC 7 310.00000 0.57143 7
2268 REMD scatter time= 0.000000000000000E+000
2269 REMD exchange time= 7.812500000000000E-003
2270 acceleration/energy drift too large 6.22266890588796
2271 12.6661075702502 split increased to 2 itime 700068
2273 acceleration/energy drift too large 9.51331039119436
2274 46.5884930839135 split increased to 2 itime 702152
2276 acceleration/energy drift too large 3.96521624926443
2277 13.5199319773856 split increased to 2 itime 703020
2279 acceleration/energy drift too large 2.31769733540108
2280 11.2623959237660 split increased to 2 itime 703713
2282 acceleration/energy drift too large 3.14013338796327
2283 10.1392006128887 split increased to 2 itime 704579
2285 acceleration/energy drift too large 4.30260026694695
2286 10.8277639501245 split increased to 2 itime 704633
2288 acceleration/energy drift too large 3.79340602147752
2289 10.2174202512299 split increased to 2 itime 704653
2291 acceleration/energy drift too large 3.90712629883964
2292 10.7558970446412 split increased to 2 itime 704697
2294 acceleration/energy drift too large 2.57072438235097
2295 10.1708785450332 split increased to 2 itime 704714
2297 acceleration/energy drift too large 2.32481535748189
2298 10.0992584273175 split increased to 2 itime 704731
2300 acceleration/energy drift too large 2.99259910061795
2301 11.9263837798394 split increased to 2 itime 704803
2303 acceleration/energy drift too large 2.82185404611476
2304 11.7890904603667 split increased to 2 itime 704809
2306 acceleration/energy drift too large 4.93060823139295
2307 11.3672797038217 split increased to 2 itime 704935
2309 acceleration/energy drift too large 6.29362157794411
2310 23.0408089547767 split increased to 2 itime 706379
2312 acceleration/energy drift too large 4.15499683296232
2313 14.4548981011180 split increased to 2 itime 709005
2315 acceleration/energy drift too large 5.85433210797833
2316 12.9809461776784 split increased to 2 itime 709899
2318 acceleration/energy drift too large 6.37249040788880
2319 10.1845088664188 split increased to 2 itime 711292
2321 acceleration/energy drift too large 2.43871175449653
2322 12.0194665995961 split increased to 2 itime 711336
2324 acceleration/energy drift too large 4.91036013100709
2325 14.2538814376394 split increased to 2 itime 712027
2327 acceleration/energy drift too large 7.11866966174388
2328 12.8125687896244 split increased to 2 itime 712028
2330 acceleration/energy drift too large 2.06789994113342
2331 10.7297438434284 split increased to 2 itime 712844
2333 acceleration/energy drift too large 5.91841175101234
2334 21.0639236808578 split increased to 2 itime 714602
2336 acceleration/energy drift too large 2.14729074036192
2337 11.6876187789188 split increased to 2 itime 715010
2339 acceleration/energy drift too large 1.37558015177382
2340 10.6762540083382 split increased to 2 itime 718072
2342 acceleration/energy drift too large 7.88001573400738
2343 16.7010510809287 split increased to 2 itime 719960
2345 acceleration/energy drift too large 5.50961900450896
2346 20.9418275826827 split increased to 2 itime 720707
2348 acceleration/energy drift too large 5.64194229379561
2349 17.5436546543736 split increased to 2 itime 720750
2351 acceleration/energy drift too large 3.79069110714974
2352 10.4397124133296 split increased to 2 itime 721129
2354 acceleration/energy drift too large 6.16434414605557
2355 17.2978104861773 split increased to 2 itime 723275
2357 acceleration/energy drift too large 2.18866433835450
2358 12.0872562691630 split increased to 2 itime 724159
2360 acceleration/energy drift too large 1.92793341597504
2361 11.6349468563801 split increased to 2 itime 724173
2363 acceleration/energy drift too large 10.3477291010657
2364 51.1382922793785 split increased to 2 itime 724413
2366 acceleration/energy drift too large 4.74872353084568
2367 14.3388923931449 split increased to 2 itime 724864
2369 acceleration/energy drift too large 4.54821629271186
2370 10.1563648822652 split increased to 2 itime 725474
2372 acceleration/energy drift too large 3.04487599446844
2373 10.5098884587661 split increased to 2 itime 725556
2375 acceleration/energy drift too large 1.74252407607005
2376 10.5560182171380 split increased to 2 itime 725562
2378 acceleration/energy drift too large 3.65588481295424
2379 11.3761342370342 split increased to 2 itime 725652
2381 acceleration/energy drift too large 12.9162686863904
2382 58.0407274520310 split increased to 2 itime 727423
2384 acceleration/energy drift too large 2.99709526832101
2385 11.9844223981653 split increased to 2 itime 728538
2387 acceleration/energy drift too large 3.25691131706594
2388 17.0932412937603 split increased to 2 itime 728928
2390 acceleration/energy drift too large 8.29471280000083
2391 28.4247317904830 split increased to 2 itime 729033
2393 acceleration/energy drift too large 4.46197633984267
2394 13.8385655572551 split increased to 2 itime 730125
2396 acceleration/energy drift too large 2.33043471461783
2397 11.5594750922131 split increased to 2 itime 730380
2399 acceleration/energy drift too large 3.33095258859194
2400 10.5290068329757 split increased to 2 itime 730465
2402 acceleration/energy drift too large 3.52812084852736
2403 10.5249371233442 split increased to 2 itime 733411
2405 acceleration/energy drift too large 3.09534534055926
2406 10.8869033703203 split increased to 2 itime 733490
2408 acceleration/energy drift too large 6.81656746870041
2409 18.5260397263884 split increased to 2 itime 736492
2411 acceleration/energy drift too large 2.37441913926064
2412 10.0831657586972 split increased to 2 itime 737486
2414 acceleration/energy drift too large 3.28860019907596
2415 13.6743085791983 split increased to 2 itime 737490
2417 acceleration/energy drift too large 6.06172075079157
2418 11.3267029982673 split increased to 2 itime 737492
2420 acceleration/energy drift too large 2.77463062763506
2421 15.5797344382572 split increased to 2 itime 737493
2423 acceleration/energy drift too large 3.22343911246678
2424 17.6986544451253 split increased to 2 itime 739320
2426 acceleration/energy drift too large 4.89875257823104
2427 11.4649270392609 split increased to 2 itime 742455
2429 acceleration/energy drift too large 4.75158497962348
2430 12.6082178953383 split increased to 2 itime 744572
2432 acceleration/energy drift too large 2.74496998422814
2433 10.3546918786311 split increased to 2 itime 746090
2435 acceleration/energy drift too large 5.62501434075069
2436 23.7461701691730 split increased to 2 itime 747582
2438 acceleration/energy drift too large 7.96162609855469
2439 30.2392839742710 split increased to 2 itime 749090
2441 acceleration/energy drift too large 3.42663958022221
2442 10.3137392120728 split increased to 2 itime 750002
2444 acceleration/energy drift too large 3.94798962433313
2445 13.5840312731322 split increased to 2 itime 750700
2447 acceleration/energy drift too large 5.55416200822033
2448 11.5922393481714 split increased to 2 itime 750793
2450 acceleration/energy drift too large 7.37737629259915
2451 33.2192898999782 split increased to 2 itime 751143
2453 acceleration/energy drift too large 9.74765156075217
2454 40.5652048236205 split increased to 2 itime 752334
2456 acceleration/energy drift too large 2.75185830786940
2457 14.2839987470299 split increased to 4 itime 752334
2459 acceleration/energy drift too large 8.01415033522304
2460 37.9807863381783 split increased to 2 itime 752598
2462 acceleration/energy drift too large 3.39019241179640
2463 11.8851666061507 split increased to 2 itime 752654
2465 acceleration/energy drift too large 2.71927022721466
2466 10.7506677715094 split increased to 2 itime 752662
2468 acceleration/energy drift too large 3.16063497524178
2469 11.5982865238897 split increased to 2 itime 752666
2471 acceleration/energy drift too large 3.63328760304736
2472 10.7779957825044 split increased to 2 itime 752668
2474 acceleration/energy drift too large 4.54701927735100
2475 14.9645381490278 split increased to 2 itime 752670
2477 acceleration/energy drift too large 2.70267763244291
2478 17.9240564782548 split increased to 2 itime 752671
2480 acceleration/energy drift too large 3.93012845718014
2481 17.3955629802141 split increased to 2 itime 752674
2483 acceleration/energy drift too large 2.53007938244950
2484 12.4786302939834 split increased to 2 itime 752675
2486 acceleration/energy drift too large 1.93592683164267
2487 11.3481660210413 split increased to 2 itime 752676
2489 acceleration/energy drift too large 2.70582264035735
2490 14.2620859802954 split increased to 2 itime 752677
2492 acceleration/energy drift too large 4.69534375261343
2493 10.0307207112296 split increased to 2 itime 752680
2495 acceleration/energy drift too large 3.92375264456935
2496 24.4564216859469 split increased to 2 itime 752681
2498 acceleration/energy drift too large 4.13597688821239
2499 12.1091242600619 split increased to 2 itime 752683
2501 acceleration/energy drift too large 3.30349623467196
2502 10.6975070038883 split increased to 2 itime 752699
2504 acceleration/energy drift too large 2.32553240270026
2505 10.6096164382573 split increased to 2 itime 752710
2507 acceleration/energy drift too large 6.43861795995971
2508 23.9445264510033 split increased to 2 itime 754176
2510 acceleration/energy drift too large 6.65909780895276
2511 24.7712700580553 split increased to 2 itime 755802
2513 acceleration/energy drift too large 6.31224328170568
2514 27.8753701959217 split increased to 2 itime 757544
2516 acceleration/energy drift too large 4.48723279416695
2517 11.1611142785821 split increased to 2 itime 760174
2519 acceleration/energy drift too large 6.34321528508540
2520 28.3845570208157 split increased to 2 itime 761469
2522 acceleration/energy drift too large 4.98912518953887
2523 15.9434464120301 split increased to 2 itime 761679
2525 acceleration/energy drift too large 2.22826320663272
2526 10.4591009882225 split increased to 2 itime 763514
2528 acceleration/energy drift too large 2.02339216982524
2529 11.3051217232850 split increased to 2 itime 764060
2531 acceleration/energy drift too large 3.28425106141271
2532 11.0262454110569 split increased to 2 itime 764585
2534 acceleration/energy drift too large 4.42973235374506
2535 12.6205906290086 split increased to 2 itime 765017
2537 acceleration/energy drift too large 2.94120892814721
2538 10.2999938728404 split increased to 2 itime 765207
2540 acceleration/energy drift too large 3.15715782038621
2541 11.6713629185368 split increased to 2 itime 765427
2543 acceleration/energy drift too large 3.83985778573164
2544 10.7037262604643 split increased to 2 itime 765446
2546 acceleration/energy drift too large 2.53572800981734
2547 10.3157938996068 split increased to 2 itime 765482
2549 acceleration/energy drift too large 2.21298244307038
2550 11.1093082892149 split increased to 2 itime 769580
2552 acceleration/energy drift too large 3.29300495707773
2553 13.2049661076360 split increased to 2 itime 771041
2555 acceleration/energy drift too large 5.45466165996365
2556 11.9730532482924 split increased to 2 itime 771074
2558 acceleration/energy drift too large 2.22016181059518
2559 12.1897517361002 split increased to 2 itime 771728
2561 acceleration/energy drift too large 4.61595200678173
2562 12.0665208836666 split increased to 2 itime 774652
2564 acceleration/energy drift too large 12.5062223036267
2565 59.7358890940530 split increased to 2 itime 775245
2567 acceleration/energy drift too large 5.82877859574045
2568 20.4872113237601 split increased to 2 itime 776623
2570 acceleration/energy drift too large 4.75061268948376
2571 19.4190154892775 split increased to 2 itime 776802
2573 acceleration/energy drift too large 3.76318014509958
2574 13.4573827772317 split increased to 2 itime 777059
2576 acceleration/energy drift too large 3.61202757868461
2577 11.5809109827906 split increased to 2 itime 777705
2579 acceleration/energy drift too large 4.59013567773438
2580 19.7737190746432 split increased to 2 itime 779006
2582 acceleration/energy drift too large 2.47941140224892
2583 12.5596786766523 split increased to 2 itime 779100
2585 acceleration/energy drift too large 4.40850530238053
2586 13.3042199927031 split increased to 2 itime 779155
2588 acceleration/energy drift too large 6.52049828678658
2589 30.5147611262913 split increased to 2 itime 779583
2591 acceleration/energy drift too large 3.96614136123242
2592 16.3052873194727 split increased to 2 itime 779694
2594 acceleration/energy drift too large 2.80761466352017
2595 10.8020220812645 split increased to 2 itime 780430
2597 acceleration/energy drift too large 2.69150725633322
2598 11.4320329612564 split increased to 2 itime 780506
2600 acceleration/energy drift too large 2.31246469838370
2601 10.1715031267633 split increased to 2 itime 780534
2603 acceleration/energy drift too large 2.91305584981933
2604 16.0521974514247 split increased to 2 itime 781433
2606 acceleration/energy drift too large 4.20825139806427
2607 10.2831988021314 split increased to 2 itime 785918
2609 acceleration/energy drift too large 9.28235213637268
2610 31.8161089853804 split increased to 2 itime 786211
2612 acceleration/energy drift too large 6.56612847390236
2613 22.1401796718833 split increased to 2 itime 787172
2615 acceleration/energy drift too large 4.79753464246649
2616 14.7871961257921 split increased to 2 itime 787230
2618 acceleration/energy drift too large 4.53001944401006
2619 13.4596297260193 split increased to 2 itime 787404
2621 acceleration/energy drift too large 3.52590185762793
2622 11.0933145233756 split increased to 2 itime 788773
2624 acceleration/energy drift too large 3.24628595522011
2625 10.1379721933316 split increased to 2 itime 788789
2627 acceleration/energy drift too large 8.13555058663948
2628 27.3970801761403 split increased to 2 itime 789193
2630 acceleration/energy drift too large 4.97947890777512
2631 11.8074350454522 split increased to 2 itime 789718
2633 acceleration/energy drift too large 3.14323754984929
2634 22.3580002588657 split increased to 2 itime 790645
2636 acceleration/energy drift too large 2.93611998222082
2637 12.5302668042684 split increased to 2 itime 790754
2639 acceleration/energy drift too large 4.83192823545234
2640 10.1348264580107 split increased to 2 itime 791148
2642 acceleration/energy drift too large 4.56230792637775
2643 12.8050537538552 split increased to 2 itime 791350
2645 acceleration/energy drift too large 2.65443967226289
2646 10.9506323764367 split increased to 2 itime 792428
2648 acceleration/energy drift too large 1.98530114114582
2649 10.2207210542826 split increased to 2 itime 792844
2651 acceleration/energy drift too large 3.72021028707633
2652 17.8879040240107 split increased to 2 itime 793143
2654 acceleration/energy drift too large 3.61728738110863
2655 11.1272742839188 split increased to 2 itime 797798
2657 REMD synchro at 800000
2658 ntwx_cache 1 1 1 1 1 1 1 1
2660 REMD gather times= 316.710937500000 0.000000000000000E+000
2661 REMD writing rst time= 0.000000000000000E+000
2662 REMD writing traj time= 3.906250000000000E-003
2664 ACC 1 250.00000 0.12500 8
2665 ACC 2 260.00000 0.87500 8
2666 ACC 3 270.00000 0.37500 8
2667 ACC 4 280.00000 0.37500 8
2668 ACC 5 290.00000 0.50000 8
2669 ACC 6 300.00000 1.00000 8
2670 ACC 7 310.00000 0.50000 8
2671 REMD scatter time= 0.000000000000000E+000
2672 REMD exchange time= 3.906250000000000E-003
2673 acceleration/energy drift too large 3.04759777189784
2674 18.7060242851618 split increased to 2 itime 801728
2676 acceleration/energy drift too large 2.22856245957937
2677 10.4667759896492 split increased to 2 itime 804170
2679 acceleration/energy drift too large 6.77200349485410
2680 15.6108881982449 split increased to 2 itime 805253
2682 acceleration/energy drift too large 2.92268838706356
2683 11.3913275960643 split increased to 2 itime 805981
2685 acceleration/energy drift too large 2.20186141875850
2686 16.5969788373684 split increased to 2 itime 805991
2688 acceleration/energy drift too large 3.26888472192852
2689 10.4691788354374 split increased to 2 itime 806013
2691 acceleration/energy drift too large 7.35738879298710
2692 12.3324564942039 split increased to 2 itime 806539
2694 acceleration/energy drift too large 5.99982704607795
2695 13.3850910299251 split increased to 2 itime 807225
2697 acceleration/energy drift too large 5.65676101821954
2698 13.3763648943318 split increased to 2 itime 807891
2700 acceleration/energy drift too large 4.34452019221622
2701 16.1765012039935 split increased to 2 itime 808051
2703 acceleration/energy drift too large 6.51759969102698
2704 22.1321750993877 split increased to 2 itime 809171
2706 acceleration/energy drift too large 7.41463375510252
2707 17.3870892440910 split increased to 2 itime 810298
2709 acceleration/energy drift too large 7.11636198571468
2710 15.7083718145018 split increased to 2 itime 812174
2712 acceleration/energy drift too large 6.99345218756695
2713 12.6066793494944 split increased to 2 itime 813088
2715 acceleration/energy drift too large 4.88914563824126
2716 10.0797024024354 split increased to 2 itime 813090
2718 acceleration/energy drift too large 5.78989847351531
2719 17.5514012724352 split increased to 2 itime 813188
2721 acceleration/energy drift too large 6.52304330575791
2722 20.8891504105015 split increased to 2 itime 814975
2724 acceleration/energy drift too large 6.78932255060707
2725 22.6187214644894 split increased to 2 itime 815828
2727 acceleration/energy drift too large 5.70187046947739
2728 25.3896359485052 split increased to 2 itime 819835
2730 acceleration/energy drift too large 7.60129848518354
2731 14.4662270115419 split increased to 2 itime 820407
2733 acceleration/energy drift too large 8.94712944173327
2734 40.5229942903566 split increased to 2 itime 820997
2736 acceleration/energy drift too large 2.27515445880527
2737 11.5921771460632 split increased to 2 itime 821442
2739 acceleration/energy drift too large 6.10202055689394
2740 16.2729463075284 split increased to 2 itime 822156
2742 acceleration/energy drift too large 6.05080806452347
2743 14.7580457859862 split increased to 2 itime 822976
2745 acceleration/energy drift too large 2.85519928755847
2746 17.6127447620196 split increased to 2 itime 823202
2748 acceleration/energy drift too large 2.42083645981002
2749 10.1414285292442 split increased to 2 itime 823701
2751 acceleration/energy drift too large 3.37307205526463
2752 10.0273966515836 split increased to 2 itime 826914
2754 acceleration/energy drift too large 6.70091105106446
2755 30.9687909321332 split increased to 2 itime 829363
2757 acceleration/energy drift too large 7.49652171519678
2758 27.3864183397681 split increased to 2 itime 829712
2760 acceleration/energy drift too large 6.44468908840959
2761 12.2284361325357 split increased to 2 itime 833320
2763 acceleration/energy drift too large 2.20579661362847
2764 10.2083614511523 split increased to 2 itime 835148
2766 acceleration/energy drift too large 5.67624996204251
2767 13.1411314216703 split increased to 2 itime 837025
2769 acceleration/energy drift too large 6.13511514714189
2770 16.2900273754332 split increased to 2 itime 837859
2772 acceleration/energy drift too large 3.45128896192725
2773 10.5339807991883 split increased to 2 itime 841002
2775 acceleration/energy drift too large 3.78413427004312
2776 10.4759495757062 split increased to 2 itime 841682
2778 acceleration/energy drift too large 10.4467310552014
2779 24.0624742452977 split increased to 2 itime 841928
2781 acceleration/energy drift too large 10.6572572005651
2782 48.7266139510165 split increased to 2 itime 843813
2784 acceleration/energy drift too large 10.5187685685253
2785 57.4974130270608 split increased to 2 itime 845094
2787 acceleration/energy drift too large 3.77028861361857
2788 11.6618188904552 split increased to 2 itime 845735
2790 acceleration/energy drift too large 3.93731307191247
2791 10.3570731231119 split increased to 2 itime 845742
2793 acceleration/energy drift too large 6.77690029195726
2794 16.4544130420051 split increased to 2 itime 846072
2796 acceleration/energy drift too large 5.37345742277203
2797 10.9478987632294 split increased to 2 itime 851275
2799 acceleration/energy drift too large 4.16182393568173
2800 10.9511961733471 split increased to 2 itime 853954
2802 acceleration/energy drift too large 8.78794325347103
2803 42.5222746105986 split increased to 2 itime 854063
2805 acceleration/energy drift too large 6.06118199381852
2806 17.1308611655635 split increased to 2 itime 854352
2808 acceleration/energy drift too large 5.65592795192431
2809 14.8508816410991 split increased to 2 itime 855139
2811 acceleration/energy drift too large 4.31732146161154
2812 12.0237786935408 split increased to 2 itime 855897
2814 acceleration/energy drift too large 2.11890083164189
2815 13.6398371612654 split increased to 2 itime 857176
2817 acceleration/energy drift too large 5.27429184727652
2818 10.5851496939040 split increased to 2 itime 858662
2820 acceleration/energy drift too large 5.61930943363464
2821 20.1521530640847 split increased to 2 itime 859365
2823 acceleration/energy drift too large 3.08288564641486
2824 12.1358042117614 split increased to 2 itime 861081
2826 acceleration/energy drift too large 6.91619947579062
2827 49.3098548076224 split increased to 2 itime 861264
2829 acceleration/energy drift too large 5.38727465260426
2830 13.2374522040566 split increased to 2 itime 863426
2832 acceleration/energy drift too large 5.39003544515304
2833 33.0444794455022 split increased to 2 itime 864140
2835 acceleration/energy drift too large 4.93064701647301
2836 14.2349057947620 split increased to 2 itime 864734
2838 acceleration/energy drift too large 6.30306667302373
2839 19.4690950459115 split increased to 2 itime 868328
2841 acceleration/energy drift too large 3.17746244824330
2842 10.5385535492896 split increased to 2 itime 868785
2844 acceleration/energy drift too large 2.88701041329839
2845 10.0650233930427 split increased to 2 itime 868816
2847 acceleration/energy drift too large 2.88597847216602
2848 10.4353554435539 split increased to 2 itime 868878
2850 acceleration/energy drift too large 2.66208260031996
2851 10.3756083999508 split increased to 2 itime 868992
2853 acceleration/energy drift too large 3.84052652351550
2854 11.5376282082245 split increased to 2 itime 869006
2856 acceleration/energy drift too large 5.24811610152903
2857 16.0725220913960 split increased to 2 itime 872858
2859 acceleration/energy drift too large 2.04415916115678
2860 11.6000945265094 split increased to 2 itime 876626
2862 acceleration/energy drift too large 4.91667573608756
2863 12.2529460280596 split increased to 2 itime 876696
2865 acceleration/energy drift too large 1.98464299693557
2866 12.3672973239493 split increased to 2 itime 880220
2868 acceleration/energy drift too large 4.49269347994387
2869 10.9164515956942 split increased to 2 itime 882114
2871 acceleration/energy drift too large 3.50691198966475
2872 12.2192361034298 split increased to 2 itime 882641
2874 acceleration/energy drift too large 4.67092628161820
2875 31.4015659810878 split increased to 2 itime 882749
2877 acceleration/energy drift too large 3.60048047862597
2878 14.2560887791626 split increased to 2 itime 883142
2880 acceleration/energy drift too large 5.02588008943109
2881 13.8107970171059 split increased to 2 itime 883587
2883 acceleration/energy drift too large 4.59667298918522
2884 10.3093389718401 split increased to 2 itime 884011
2886 acceleration/energy drift too large 5.08063823468998
2887 16.4090970757056 split increased to 2 itime 884446
2889 acceleration/energy drift too large 4.41398440161052
2890 12.8057265597627 split increased to 2 itime 887915
2892 acceleration/energy drift too large 6.51304699074663
2893 30.8992725213926 split increased to 2 itime 888333
2895 acceleration/energy drift too large 2.32735689444735
2896 12.6728165379389 split increased to 2 itime 890090
2898 acceleration/energy drift too large 5.74306766095227
2899 21.6139261527122 split increased to 2 itime 893159
2901 acceleration/energy drift too large 4.31719594275417
2902 15.1223402059815 split increased to 2 itime 893596
2904 acceleration/energy drift too large 7.13433176598262
2905 16.3572986251761 split increased to 2 itime 893901
2907 acceleration/energy drift too large 2.39688308186256
2908 13.2961484492678 split increased to 2 itime 895579
2910 acceleration/energy drift too large 3.99835623740062
2911 11.7749312853083 split increased to 2 itime 895583
2913 acceleration/energy drift too large 3.04375529760310
2914 10.3665733729487 split increased to 2 itime 895624
2916 acceleration/energy drift too large 2.11992299941375
2917 10.6935992947726 split increased to 2 itime 895872
2919 acceleration/energy drift too large 3.81521778771810
2920 22.9153789837453 split increased to 2 itime 897065
2922 REMD synchro at 900000
2923 ntwx_cache 1 1 1 1 1 1 1 1
2925 REMD gather times= 356.390625000000 0.000000000000000E+000
2926 REMD writing rst time= 0.000000000000000E+000
2927 REMD writing traj time= 0.000000000000000E+000
2929 ACC 1 250.00000 0.22222 9
2930 ACC 2 260.00000 0.77778 9
2931 ACC 3 270.00000 0.44444 9
2932 ACC 4 280.00000 0.33333 9
2933 ACC 5 290.00000 0.55556 9
2934 ACC 6 300.00000 0.88889 9
2935 ACC 7 310.00000 0.55556 9
2936 REMD scatter time= 0.000000000000000E+000
2937 REMD exchange time= 0.000000000000000E+000
2938 acceleration/energy drift too large 6.57808466903543
2939 14.2966236603601 split increased to 2 itime 900512
2941 acceleration/energy drift too large 2.59229150258786
2942 10.4080798753601 split increased to 2 itime 901350
2944 acceleration/energy drift too large 7.69125874110519
2945 23.7007796428610 split increased to 2 itime 902572
2947 acceleration/energy drift too large 3.21110129327291
2948 10.0423126070215 split increased to 2 itime 903784
2950 acceleration/energy drift too large 12.3085257846634
2951 55.2456446465172 split increased to 2 itime 905864
2953 acceleration/energy drift too large 4.52591552115366
2954 14.1527736760797 split increased to 2 itime 907361
2956 acceleration/energy drift too large 1.99420534523600
2957 11.8715454235411 split increased to 2 itime 908938
2959 acceleration/energy drift too large 2.84991716936482
2960 11.5679143197226 split increased to 2 itime 909045
2962 acceleration/energy drift too large 2.53446373565771
2963 11.3900046128801 split increased to 2 itime 909053
2965 acceleration/energy drift too large 5.62223323930956
2966 17.2458777836118 split increased to 2 itime 910736
2968 acceleration/energy drift too large 2.50303839568308
2969 10.0124697161464 split increased to 2 itime 913252
2971 acceleration/energy drift too large 9.53925841058432
2972 23.8317261527347 split increased to 2 itime 914590
2974 acceleration/energy drift too large 7.33635983353724
2975 19.8127222755395 split increased to 2 itime 915005
2977 acceleration/energy drift too large 3.48151431215448
2978 11.2218821811313 split increased to 2 itime 915007
2980 acceleration/energy drift too large 4.10632542294466
2981 13.0497696370744 split increased to 2 itime 915022
2983 acceleration/energy drift too large 9.78569117524985
2984 51.4740864589150 split increased to 2 itime 915241
2986 acceleration/energy drift too large 6.82349686974094
2987 11.6662522868597 split increased to 2 itime 916490
2989 acceleration/energy drift too large 2.74022016143286
2990 10.1010455244959 split increased to 2 itime 917947
2992 acceleration/energy drift too large 2.94194580192428
2993 10.5895677935487 split increased to 2 itime 917971
2995 acceleration/energy drift too large 2.82987203862736
2996 11.7440458452996 split increased to 2 itime 918684
2998 acceleration/energy drift too large 3.00173322785880
2999 25.0402825339256 split increased to 2 itime 919194
3001 acceleration/energy drift too large 2.99244821271598
3002 11.0034601559579 split increased to 2 itime 919201
3004 acceleration/energy drift too large 6.02766240115596
3005 14.8292955735467 split increased to 2 itime 919207
3007 acceleration/energy drift too large 3.63575502704983
3008 11.6958101490394 split increased to 2 itime 919269
3010 acceleration/energy drift too large 9.55824968091900
3011 45.0413460650973 split increased to 2 itime 922102
3013 acceleration/energy drift too large 5.50561610467060
3014 12.6180871997014 split increased to 2 itime 923657
3016 acceleration/energy drift too large 3.67059804217777
3017 10.6979141333425 split increased to 2 itime 926714
3019 acceleration/energy drift too large 2.87037855157929
3020 11.0114182279410 split increased to 2 itime 926960
3022 acceleration/energy drift too large 3.83599108776069
3023 10.6136638404860 split increased to 2 itime 926966
3025 acceleration/energy drift too large 3.87514699109772
3026 11.0254533115330 split increased to 2 itime 926970
3028 acceleration/energy drift too large 3.06859856212539
3029 12.6944728423738 split increased to 2 itime 926972
3031 acceleration/energy drift too large 3.46351253852467
3032 10.2494671797253 split increased to 2 itime 926973
3034 acceleration/energy drift too large 3.41444583137636
3035 10.5729581975494 split increased to 2 itime 926976
3037 acceleration/energy drift too large 5.21210460392176
3038 13.1796326048392 split increased to 2 itime 926978
3040 acceleration/energy drift too large 3.65983122892536
3041 26.9572238171532 split increased to 2 itime 926979
3043 acceleration/energy drift too large 2.47157881740424
3044 10.2678318520229 split increased to 2 itime 926981
3046 acceleration/energy drift too large 2.85645612421451
3047 10.9145414840742 split increased to 2 itime 926990
3049 acceleration/energy drift too large 3.15608449228603
3050 13.0220703611050 split increased to 2 itime 926996
3052 acceleration/energy drift too large 3.82571307812826
3053 10.8922793852159 split increased to 2 itime 927000
3055 acceleration/energy drift too large 2.27942364753828
3056 13.7694575846206 split increased to 2 itime 927008
3058 acceleration/energy drift too large 3.09016258161837
3059 16.5599521943510 split increased to 2 itime 927009
3061 acceleration/energy drift too large 3.18421294728376
3062 10.0454781191284 split increased to 2 itime 927015
3064 acceleration/energy drift too large 2.70969727357187
3065 15.5925461600440 split increased to 2 itime 927018
3067 acceleration/energy drift too large 2.88282001617242
3068 14.1283319381754 split increased to 2 itime 927019
3070 acceleration/energy drift too large 3.45495914637524
3071 10.2673275171171 split increased to 2 itime 927034
3073 acceleration/energy drift too large 2.50607075740897
3074 10.9243714819508 split increased to 2 itime 927083
3076 acceleration/energy drift too large 3.75318427236537
3077 10.2977764810336 split increased to 2 itime 927178
3079 acceleration/energy drift too large 2.71375807232855
3080 17.9366836908205 split increased to 2 itime 927179
3082 acceleration/energy drift too large 3.69770394815231
3083 12.1854056584926 split increased to 2 itime 927196
3085 acceleration/energy drift too large 1.99682977481860
3086 14.1522017669013 split increased to 2 itime 927202
3088 acceleration/energy drift too large 5.54698662007708
3089 10.3967947650435 split increased to 2 itime 927206
3091 acceleration/energy drift too large 2.70288862979091
3092 12.3910446374871 split increased to 2 itime 927207
3094 acceleration/energy drift too large 3.37223749022815
3095 12.5286667840265 split increased to 2 itime 927214
3097 acceleration/energy drift too large 3.55972287078091
3098 12.2018193165741 split increased to 2 itime 927235
3100 acceleration/energy drift too large 2.76073460283047
3101 10.1915918099292 split increased to 2 itime 927284
3103 acceleration/energy drift too large 4.05274610413843
3104 10.0991188694881 split increased to 2 itime 933738
3106 acceleration/energy drift too large 5.23977091259578
3107 12.4834656884951 split increased to 2 itime 933995
3109 acceleration/energy drift too large 3.25498406440961
3110 10.3007320458467 split increased to 2 itime 938250
3112 acceleration/energy drift too large 2.94304604625915
3113 12.2444726278912 split increased to 2 itime 938253
3115 acceleration/energy drift too large 2.05798405881767
3116 11.5002360879095 split increased to 2 itime 938328
3118 acceleration/energy drift too large 3.44964489780285
3119 24.1476988477790 split increased to 2 itime 939850
3121 acceleration/energy drift too large 6.78885229817901
3122 16.5900023799422 split increased to 2 itime 943471
3124 acceleration/energy drift too large 5.82678507210135
3125 24.6340779037091 split increased to 2 itime 944680
3127 acceleration/energy drift too large 5.18940440922303
3128 12.7007904037800 split increased to 2 itime 945498
3130 acceleration/energy drift too large 5.35428437652620
3131 11.7535133734239 split increased to 2 itime 950427
3133 acceleration/energy drift too large 4.55162592862716
3134 10.8719958973851 split increased to 2 itime 951077
3136 acceleration/energy drift too large 6.38147579821281
3137 25.5401187665015 split increased to 2 itime 951175
3139 acceleration/energy drift too large 4.26729194647760
3140 10.1537846942208 split increased to 2 itime 951259
3142 acceleration/energy drift too large 4.76878350078769
3143 11.6116472107122 split increased to 2 itime 951754
3145 acceleration/energy drift too large 8.77958285185338
3146 30.4534713706681 split increased to 2 itime 952778
3148 acceleration/energy drift too large 3.56125187587214
3149 10.3168465365286 split increased to 2 itime 953676
3151 acceleration/energy drift too large 3.81612277478126
3152 10.1488231153088 split increased to 2 itime 953683
3154 acceleration/energy drift too large 3.33931536850662
3155 10.5224166868613 split increased to 2 itime 954051
3157 acceleration/energy drift too large 5.39546570956672
3158 10.2259661090390 split increased to 2 itime 954168
3160 acceleration/energy drift too large 5.01868309144268
3161 12.2560169529860 split increased to 2 itime 954247
3163 acceleration/energy drift too large 2.88496402964613
3164 10.3921477842572 split increased to 2 itime 954789
3166 acceleration/energy drift too large 2.54908704555533
3167 10.5976018513555 split increased to 2 itime 954818
3169 acceleration/energy drift too large 2.98289557057861
3170 10.6346457535264 split increased to 2 itime 954825
3172 acceleration/energy drift too large 3.31385324987540
3173 10.6927502609962 split increased to 2 itime 956021
3175 acceleration/energy drift too large 5.82454924506218
3176 10.3506060040066 split increased to 2 itime 958958
3178 acceleration/energy drift too large 7.90187303128310
3179 24.0423129854359 split increased to 2 itime 959066
3181 acceleration/energy drift too large 4.84078628479393
3182 10.8721029701479 split increased to 2 itime 959950
3184 acceleration/energy drift too large 5.38140146381624
3185 12.0821188629450 split increased to 2 itime 960750
3187 acceleration/energy drift too large 2.45200560225983
3188 12.2138919788738 split increased to 2 itime 963598
3190 acceleration/energy drift too large 4.80829251553583
3191 18.0786950351927 split increased to 2 itime 964756
3193 acceleration/energy drift too large 1.92684696104599
3194 14.3225498468162 split increased to 2 itime 965005
3196 acceleration/energy drift too large 3.38051856673097
3197 13.5164443579456 split increased to 2 itime 966501
3199 acceleration/energy drift too large 5.02392232851096
3200 18.2014384280205 split increased to 2 itime 968651
3202 acceleration/energy drift too large 10.8939133147482
3203 37.9792756831615 split increased to 2 itime 969921
3205 acceleration/energy drift too large 6.25537857545006
3206 15.7930940357674 split increased to 2 itime 973435
3208 acceleration/energy drift too large 4.95303977839136
3209 10.3895854620251 split increased to 2 itime 975524
3211 acceleration/energy drift too large 4.43505836691903
3212 12.4499447625922 split increased to 2 itime 976936
3214 acceleration/energy drift too large 2.22395266345729
3215 10.3183961405875 split increased to 2 itime 977785
3217 acceleration/energy drift too large 7.38517455742916
3218 13.7375899126670 split increased to 2 itime 979097
3220 acceleration/energy drift too large 5.42766800882002
3221 11.3746794397026 split increased to 2 itime 979138
3223 acceleration/energy drift too large 4.69477900799110
3224 13.9855929730825 split increased to 2 itime 980937
3226 acceleration/energy drift too large 4.56709827410279
3227 12.2866018672929 split increased to 2 itime 981082
3229 acceleration/energy drift too large 4.22843662737844
3230 15.9986236576054 split increased to 2 itime 983446
3232 acceleration/energy drift too large 7.28503729750069
3233 28.0900437565608 split increased to 2 itime 988502
3235 acceleration/energy drift too large 3.09892815129042
3236 13.1677379200501 split increased to 2 itime 989161
3238 acceleration/energy drift too large 5.02723350945619
3239 14.2627980639176 split increased to 2 itime 990132
3241 acceleration/energy drift too large 3.62203937128740
3242 20.0320284014358 split increased to 2 itime 990751
3244 acceleration/energy drift too large 4.42295413564357
3245 10.6714381752827 split increased to 2 itime 992731
3247 acceleration/energy drift too large 7.57497282303292
3248 17.6580167906195 split increased to 2 itime 993382
3250 acceleration/energy drift too large 3.78003912651920
3251 10.2318302682778 split increased to 2 itime 994149
3253 acceleration/energy drift too large 1.70558181148873
3254 11.2124394008163 split increased to 2 itime 996592
3256 acceleration/energy drift too large 1.98152789335267
3257 10.0315596865563 split increased to 2 itime 998563
3259 acceleration/energy drift too large 3.31628517915314
3260 23.0713856251341 split increased to 2 itime 999178
3262 acceleration/energy drift too large 7.41509555887398
3263 28.0813685506388 split increased to 2 itime 999369
3265 REMD synchro at 1000000
3266 ntwx_cache 1 1 1 1 1 1 1 1
3268 writing restart at the end of run
3271 =================================== Timing ===================================
3273 MD calculations setup: 1.56250E-02
3274 Energy & gradient evaluation: 3.36891E+02
3275 Stochastic MD setup: 0.00000E+00
3276 Stochastic MD step setup: 0.00000E+00
3277 MD steps: 3.96145E+02
3280 ============================ End of MD calculation ===========================
3281 CG processor 0 is finishing work.
3282 Total wall clock time 396.207031250000 sec