-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1L2Y_MREMD.inp Output file : 1L2Y_MREMD.out_GB000 Sidechain potential file : /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga p8g-sc SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm Cumulant coefficient file : /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm Double torsional parameter file : /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat Bond & inertia constant file : /users/pk376/unres-git/unres/PARAM/bond.parm Bending parameter file : /users/pk376/unres-git/unres/PARAM/thetaml.5parm Rotamer parameter file : /users/pk376/unres-git/unres/PARAM/scgauss.parm Threading database : /users/pk376/unres-git/unres/PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ Version 2.5 build 302 compiled Mon Jul 23 17:42:12 2012 compiled by jal47@matrix.chem.cornell.edu OS name: Linux OS release: 2.6.34.9-69.fc13.x86_64 OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 flags: INSTALL_DIR = /users/software/mpich-1.2.7p1_int... FC= ifort OPT = -g -ip -w -CB FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... ARCH = LINUX PP = /lib/cpp -P object = unres.o arcos.o cartprint.o chainbuild... GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... ++++ End of compile info ++++ Potential is GB , exponents are 6 12 Disulfide bridge parameters: S-S bridge energy: -5.50 d0cm: 3.78 akcm: 15.10 akth: 11.00 akct: 12.00 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 MPI: node= 0 iseed(4)= 0 0 -46 -45086 ran_num 6.422640197456531E-013 RMSDBC = 3.0 RMSDBC1 = 0.5 RMSDBC1MAX = 1.5 DRMS = 0.1 RMSDBCM = 3.0 Time limit (min): 960.0 RESCALE_MODE 2 Library routine used to diagonalize matrices. =========================== Parameters of the MD run =========================== The units are: positions: angstrom, time: 48.9 fs velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2 energy: kcal/mol, temperature: K Number of time steps: 1000000 Initial time step of numerical integration: 0.20000 natural units 9.78000 fs A-MTS algorithm used; initial time step for fast-varying short-range forces split into 1 steps. Short-range force cutoff 2.00 lambda 0.30 Maximum acceleration threshold to reduce the time step/increase split number: 10.00000 Maximum predicted energy drift to reduce the timestep/increase split number: 10.00000 Maximum velocity threshold to reduce velocities: 20.00000 Frequency of property output: 10000 Frequency of coordinate output: 10000 Berendsen bath calculation Temperature: 300.00000 Coupling constant (tau): 1.00000 Momenta will be reset at zero every 1000 steps Velocities will be reset at random every 10000 steps ============================== End of MD run setup ============================= REMD setup NREP= 16 NSTEX= 100000 SYNC= T NSYN= 100000 TRAJCACHE= 1 tlist 250.000000000000 260.000000000000 270.000000000000 280.000000000000 290.000000000000 300.000000000000 310.000000000000 320.000000000000 330.000000000000 340.000000000000 350.000000000000 360.000000000000 370.000000000000 380.000000000000 390.000000000000 400.000000000000 mlist 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 Total number of replicas 32 ============================== End of REMD run setup ============================= Energy-term weights (unscaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WSCCOR= 0.000000 (back-scloc correlation) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Hydrogen-bonding correlation between contact pairs of peptide groups Scaling factor of 1,4 SC-p interactions: 0.400 General scaling factor of SC-p interactions: 1.000 Energy-term weights (scaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WSCCOR= 0.000000 (back-scloc correlatkion) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Reference temperature for weights calculation: 300.000000000000 Parameters of the SS-bond potential: D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 EBR -5.50000000000000 PDB data will be read from file ../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 nsup= 20 nstart_sup= 2 ITEL 1 21 0 2 14 1 3 5 1 4 8 1 5 4 1 6 13 1 7 7 1 8 5 1 9 19 1 10 16 1 11 10 1 12 10 2 13 20 1 14 12 1 15 12 1 16 10 1 17 18 2 18 20 2 19 20 2 20 20 1 21 12 0 ns= 0 iss: Boundaries in phi angle sampling: D 1 -180.0 180.0 ASN 2 -180.0 180.0 LEU 3 -180.0 180.0 TYR 4 -180.0 180.0 ILE 5 -180.0 180.0 GLN 6 -180.0 180.0 TRP 7 -180.0 180.0 LEU 8 -180.0 180.0 LYS 9 -180.0 180.0 ASP 10 -180.0 180.0 GLY 11 -180.0 180.0 GLY 12 -180.0 180.0 PRO 13 -180.0 180.0 SER 14 -180.0 180.0 SER 15 -180.0 180.0 GLY 16 -180.0 180.0 ARG 17 -180.0 180.0 PRO 18 -180.0 180.0 PRO 19 -180.0 180.0 PRO 20 -180.0 180.0 SER 21 -180.0 180.0 D 22 -180.0 180.0 nsup= 20 nsup= 20 nstart_sup= 2 nstart_seq= 2 NZ_START= 2 NZ_END= 21 IZ_SC= 0 Contact order: 0.308441558441558 Shifting contacts: 2 2 1 ILE 5 ASN 2 2 TRP 7 TYR 4 3 LEU 8 TYR 4 4 LEU 8 ILE 5 5 LYS 9 GLN 6 6 GLY 12 TRP 7 7 GLY 12 LEU 8 8 SER 14 GLY 11 9 SER 15 ASP 10 10 SER 15 GLY 11 11 PRO 19 TRP 7 12 PRO 20 LEU 3 13 PRO 20 TYR 4 14 PRO 20 TRP 7 Extended chain initial geometry. Geometry of the virtual chain. Res d Theta Gamma Dsc Alpha Beta D 1 0.000 0.000 0.000 0.000 0.000 0.000 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000 GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 D 22 3.800 90.000 180.000 0.000 0.000 0.000 ******************************************************************************** Processor 0: end reading molecular data. ******************************************************************************** Replica exchange molecular dynamics (REMD) calculation. ******************************************************************************** Calling chainbuild Calling REMD MREMD 32 time before 1.562500000000000E-002 NREP= 16 i2rep 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 i2set 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 2 nupa 1: 3 4 ndowna 1: nupa 2: 3 4 ndowna 2: nupa 3: 5 6 ndowna 3: 1 2 nupa 4: 5 6 ndowna 4: 1 2 nupa 5: 7 8 ndowna 5: 3 4 nupa 6: 7 8 ndowna 6: 3 4 nupa 7: 9 10 ndowna 7: 5 6 nupa 8: 9 10 ndowna 8: 5 6 nupa 9: 11 12 ndowna 9: 7 8 nupa 10: 11 12 ndowna 10: 7 8 nupa 11: 13 14 ndowna 11: 9 10 nupa 12: 13 14 ndowna 12: 9 10 nupa 13: 15 16 ndowna 13: 11 12 nupa 14: 15 16 ndowna 14: 11 12 nupa 15: 17 18 ndowna 15: 13 14 nupa 16: 17 18 ndowna 16: 13 14 nupa 17: 19 20 ndowna 17: 15 16 nupa 18: 19 20 ndowna 18: 15 16 nupa 19: 21 22 ndowna 19: 17 18 nupa 20: 21 22 ndowna 20: 17 18 nupa 21: 23 24 ndowna 21: 19 20 nupa 22: 23 24 ndowna 22: 19 20 nupa 23: 25 26 ndowna 23: 21 22 nupa 24: 25 26 ndowna 24: 21 22 nupa 25: 27 28 ndowna 25: 23 24 nupa 26: 27 28 ndowna 26: 23 24 nupa 27: 29 30 ndowna 27: 25 26 nupa 28: 29 30 ndowna 28: 25 26 nupa 29: 31 32 ndowna 29: 27 28 nupa 30: 31 32 ndowna 30: 27 28 nupa 31: ndowna 31: 29 30 nupa 32: ndowna 32: 29 30 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated Initial velocities 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 alpha-carbon coordinates centroid coordinates X Y Z X Y Z D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044 LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795 TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147 ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530 GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291 TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994 LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795 LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786 ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078 GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000 GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000 PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456 SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587 SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587 GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000 ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767 PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456 PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456 PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456 SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587 D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000 Geometry of the virtual chain. Res d Theta Gamma Dsc Alpha Beta D 1 0.000 0.000 0.000 0.000 0.000 0.000 ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000 LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000 TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000 ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000 GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000 TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 D 22 3.800 90.000 180.000 0.000 180.000 180.000 Potential energy and its components Virtual-chain energies: EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) ETOT= 2.499553E+01 (total) Initial: Kinetic energy 2.63515E+01 potential energy 2.49955E+01 total energy 5.13470E+01 maximum acceleration 7.10627E-01 Setup time 2.343750000000000E-002 acceleration/energy drift too large 6.01872884623843 20.2592193941127 split increased to 2 itime 139 itsplit 1 acceleration/energy drift too large 5.27112114968694 24.5947094282993 split increased to 2 itime 811 itsplit 1 acceleration/energy drift too large 4.11749741993015 10.0233573756981 split increased to 2 itime 812 itsplit 1 acceleration/energy drift too large 6.78156239205624 46.6376162381685 split increased to 2 itime 1036 itsplit 1 acceleration/energy drift too large 9.31079499697821 31.7226708145899 split increased to 2 itime 2891 itsplit 1 acceleration/energy drift too large 6.21988967563635 16.7074784854902 split increased to 2 itime 3759 itsplit 1 acceleration/energy drift too large 1.80361188606243 12.1415737284860 split increased to 2 itime 4945 itsplit 1 acceleration/energy drift too large 5.12402735643209 29.4650551506901 split increased to 2 itime 5095 itsplit 1 acceleration/energy drift too large 2.83404312115991 14.2652706563271 split increased to 2 itime 5279 itsplit 1 acceleration/energy drift too large 3.34004923031108 13.9147219048335 split increased to 2 itime 5456 itsplit 1 acceleration/energy drift too large 3.94199203323793 14.7105414366802 split increased to 2 itime 5684 itsplit 1 acceleration/energy drift too large 4.58176126929386 18.9652642544041 split increased to 2 itime 6659 itsplit 1 acceleration/energy drift too large 4.23308137134488 20.0605747926315 split increased to 2 itime 7737 itsplit 1 acceleration/energy drift too large 5.69874662777226 13.1487157869994 split increased to 2 itime 8176 itsplit 1 acceleration/energy drift too large 8.80799290368255 36.1731351413900 split increased to 2 itime 8328 itsplit 1 acceleration/energy drift too large 4.83324003078720 10.4766940200828 split increased to 2 itime 8736 itsplit 1 acceleration/energy drift too large 2.74481026144746 15.5635977279567 split increased to 2 itime 9154 itsplit 1 Velocities reset to random values, time 1999.80 acceleration/energy drift too large 14.0404045922975 68.7798479910309 split increased to 2 itime 10160 itsplit 1 acceleration/energy drift too large 1.50316818806266 10.5002113048853 split increased to 2 itime 10590 itsplit 1 acceleration/energy drift too large 5.43166515803004 13.9130864336143 split increased to 2 itime 11052 itsplit 1 acceleration/energy drift too large 4.18833595053208 22.5560767264168 split increased to 2 itime 12025 itsplit 1 acceleration/energy drift too large 5.05652196479640 14.4921485139768 split increased to 2 itime 13325 itsplit 1 acceleration/energy drift too large 4.45939796981960 16.5366763212833 split increased to 2 itime 15176 itsplit 1 acceleration/energy drift too large 2.65463078527267 16.4090157418096 split increased to 2 itime 16444 itsplit 1 acceleration/energy drift too large 4.83718887683354 14.1174528410817 split increased to 2 itime 17097 itsplit 1 acceleration/energy drift too large 6.31119970893411 16.8460396165817 split increased to 2 itime 19697 itsplit 1 acceleration/energy drift too large 4.02987312329386 10.3471546915559 split increased to 2 itime 19819 itsplit 1 acceleration/energy drift too large 3.99202782706859 10.0203344095428 split increased to 2 itime 19834 itsplit 1 Velocities reset to random values, time 3999.80 acceleration/energy drift too large 6.16108168523388 17.6884977232375 split increased to 2 itime 22438 itsplit 1 acceleration/energy drift too large 2.32814200502473 10.4235372979880 split increased to 4 itime 22438 itsplit 1 acceleration/energy drift too large 6.04820859670261 17.2116778245396 split increased to 2 itime 22949 itsplit 1 acceleration/energy drift too large 9.39321822080475 40.3009380499136 split increased to 2 itime 24190 itsplit 1 acceleration/energy drift too large 12.2349397254060 65.3702132086642 split increased to 2 itime 25430 itsplit 1 acceleration/energy drift too large 3.56592545350488 18.7333147770938 split increased to 2 itime 26054 itsplit 1 acceleration/energy drift too large 4.94539499627627 11.7236757967914 split increased to 2 itime 27422 itsplit 1 acceleration/energy drift too large 6.34859604644822 15.8808952575016 split increased to 2 itime 28830 itsplit 1 acceleration/energy drift too large 7.97849023708925 18.7636280341567 split increased to 2 itime 29314 itsplit 1 Velocities reset to random values, time 5999.80 acceleration/energy drift too large 5.71322468319090 13.0840605575853 split increased to 2 itime 30269 itsplit 1 acceleration/energy drift too large 6.08204819236797 11.5030063880184 split increased to 2 itime 32467 itsplit 1 acceleration/energy drift too large 4.62814684819236 15.4269491395818 split increased to 2 itime 33071 itsplit 1 acceleration/energy drift too large 4.70153961675083 13.2205867635956 split increased to 2 itime 37548 itsplit 1 acceleration/energy drift too large 4.25311269514877 12.1931048233601 split increased to 2 itime 37870 itsplit 1 Velocities reset to random values, time 7999.80 acceleration/energy drift too large 3.85720530076065 10.7533701949358 split increased to 2 itime 40923 itsplit 1 acceleration/energy drift too large 4.70796821872959 10.0261038188810 split increased to 2 itime 42324 itsplit 1 acceleration/energy drift too large 3.96818438961114 10.8885252102699 split increased to 2 itime 42612 itsplit 1 acceleration/energy drift too large 4.09393162352054 11.5790376309746 split increased to 2 itime 43050 itsplit 1 acceleration/energy drift too large 4.11712862523380 11.0072201435151 split increased to 2 itime 44766 itsplit 1 acceleration/energy drift too large 2.35382036918792 13.3099228493673 split increased to 2 itime 45474 itsplit 1 acceleration/energy drift too large 1.94630935135251 10.9177661801165 split increased to 2 itime 46476 itsplit 1 acceleration/energy drift too large 2.06980925461797 11.8933888628329 split increased to 2 itime 47581 itsplit 1 acceleration/energy drift too large 9.10461204955003 26.4122572834987 split increased to 2 itime 47995 itsplit 1 acceleration/energy drift too large 7.65514960946350 16.0520658295329 split increased to 2 itime 48706 itsplit 1 acceleration/energy drift too large 5.00524961909485 15.1658758532439 split increased to 2 itime 48825 itsplit 1 Velocities reset to random values, time 9999.80 acceleration/energy drift too large 4.96256603098756 18.3691428119523 split increased to 2 itime 51876 itsplit 1 acceleration/energy drift too large 6.17016796366666 21.0175151708704 split increased to 2 itime 53149 itsplit 1 acceleration/energy drift too large 5.29951934386337 31.9533628880177 split increased to 2 itime 53272 itsplit 1 acceleration/energy drift too large 4.68375061639108 12.7060473695889 split increased to 2 itime 53395 itsplit 1 acceleration/energy drift too large 3.20466394431315 19.7717416088959 split increased to 2 itime 53446 itsplit 1 acceleration/energy drift too large 4.85961281423604 11.0926402202715 split increased to 2 itime 54681 itsplit 1 acceleration/energy drift too large 4.14153258922024 12.0395465482629 split increased to 2 itime 56699 itsplit 1 acceleration/energy drift too large 2.72601920768183 12.3525016323719 split increased to 2 itime 58003 itsplit 1 acceleration/energy drift too large 6.55696556129599 14.2429255435316 split increased to 2 itime 58834 itsplit 1 Velocities reset to random values, time 11999.80 acceleration/energy drift too large 7.12474949730125 22.0427565925556 split increased to 2 itime 61766 itsplit 1 acceleration/energy drift too large 4.57337960000594 13.0230047455612 split increased to 2 itime 61925 itsplit 1 acceleration/energy drift too large 5.02909377016599 11.6681422766353 split increased to 2 itime 62314 itsplit 1 acceleration/energy drift too large 6.35545410294304 13.7955727228278 split increased to 2 itime 62315 itsplit 1 acceleration/energy drift too large 3.84637140197231 15.8731664253529 split increased to 2 itime 62390 itsplit 1 acceleration/energy drift too large 7.51463114258450 37.0097708173328 split increased to 2 itime 62628 itsplit 1 acceleration/energy drift too large 2.74527858013029 18.5089597227240 split increased to 2 itime 63937 itsplit 1 acceleration/energy drift too large 3.02629594123442 15.2557094699447 split increased to 2 itime 67453 itsplit 1 acceleration/energy drift too large 4.88402970109660 12.8773440495137 split increased to 2 itime 67756 itsplit 1 Velocities reset to random values, time 13999.80 acceleration/energy drift too large 4.64262254089198 12.9253616962702 split increased to 2 itime 70092 itsplit 1 acceleration/energy drift too large 6.53041013165571 25.3486436718531 split increased to 2 itime 70359 itsplit 1 acceleration/energy drift too large 7.57807972570140 25.2793900559892 split increased to 2 itime 72857 itsplit 1 acceleration/energy drift too large 9.29548902353072 42.5960306524631 split increased to 2 itime 72991 itsplit 1 acceleration/energy drift too large 5.75244529897706 10.9510885251213 split increased to 2 itime 73642 itsplit 1 acceleration/energy drift too large 11.4395965515086 60.0948035321383 split increased to 2 itime 74388 itsplit 1 acceleration/energy drift too large 2.22631705367035 11.4713659959425 split increased to 2 itime 76683 itsplit 1 acceleration/energy drift too large 9.84608215173027 34.3450966126282 split increased to 2 itime 77552 itsplit 1 acceleration/energy drift too large 4.20929349125431 17.9775830371482 split increased to 2 itime 79436 itsplit 1 acceleration/energy drift too large 4.61379006684879 20.2989056521177 split increased to 2 itime 79589 itsplit 1 Velocities reset to random values, time 15999.80 acceleration/energy drift too large 5.50108596343538 10.6878119019872 split increased to 2 itime 80008 itsplit 1 acceleration/energy drift too large 2.37118338977475 10.3256968971107 split increased to 2 itime 81194 itsplit 1 acceleration/energy drift too large 4.31667605360844 15.2052353631072 split increased to 2 itime 83700 itsplit 1 acceleration/energy drift too large 4.82637085599304 23.3381873707151 split increased to 2 itime 84232 itsplit 1 acceleration/energy drift too large 4.96954630655769 30.7957769669266 split increased to 2 itime 84269 itsplit 1 acceleration/energy drift too large 3.85455979578227 13.9604757007354 split increased to 2 itime 84376 itsplit 1 acceleration/energy drift too large 2.67927691395306 12.2165085498758 split increased to 2 itime 86011 itsplit 1 acceleration/energy drift too large 2.91031747948615 13.1206077770531 split increased to 2 itime 86348 itsplit 1 acceleration/energy drift too large 6.77072466643258 18.4549273126829 split increased to 2 itime 88337 itsplit 1 acceleration/energy drift too large 5.03953151137243 12.7177514592325 split increased to 2 itime 89436 itsplit 1 Velocities reset to random values, time 17999.80 acceleration/energy drift too large 2.11777019420856 10.7749222926264 split increased to 2 itime 92164 itsplit 1 acceleration/energy drift too large 1.90319180289364 10.2714078201419 split increased to 2 itime 94344 itsplit 1 acceleration/energy drift too large 4.49449982744576 16.6526232289962 split increased to 2 itime 98465 itsplit 1 Velocities reset to random values, time 19999.80 REMD synchro at 100000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 40.9687500000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.50000 2 ACC 2 260.00000 0.50000 2 ACC 3 270.00000 0.50000 2 ACC 4 280.00000 1.00000 2 ACC 5 290.00000 1.00000 2 ACC 6 300.00000 1.00000 2 ACC 7 310.00000 1.00000 2 ACC 8 320.00000 0.50000 2 ACC 9 330.00000 0.50000 2 ACC 10 340.00000 0.50000 2 ACC 11 350.00000 1.00000 2 ACC 12 360.00000 1.00000 2 ACC 13 370.00000 1.00000 2 ACC 14 380.00000 1.00000 2 ACC 15 390.00000 1.00000 2 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 5.30479153111135 32.7183846714053 split increased to 2 itime 100827 itsplit 1 acceleration/energy drift too large 9.22099333317887 37.7678774510184 split increased to 2 itime 101064 itsplit 1 acceleration/energy drift too large 6.83705434534516 19.7948572520227 split increased to 2 itime 103347 itsplit 1 acceleration/energy drift too large 3.62758568381967 13.3868723618269 split increased to 2 itime 104771 itsplit 1 acceleration/energy drift too large 1.28740660298988 10.9625518324737 split increased to 2 itime 104877 itsplit 1 acceleration/energy drift too large 3.00359038965876 10.9089748353496 split increased to 2 itime 105225 itsplit 1 acceleration/energy drift too large 6.59710964322336 19.9436512291436 split increased to 2 itime 105571 itsplit 1 acceleration/energy drift too large 2.59450950912824 15.9477257800052 split increased to 2 itime 107435 itsplit 1 acceleration/energy drift too large 11.8469126797054 62.6720329303470 split increased to 2 itime 109698 itsplit 1 Velocities reset to random values, time 21999.80 acceleration/energy drift too large 4.67667714775613 14.3220169779296 split increased to 2 itime 114515 itsplit 1 acceleration/energy drift too large 1.47149135649588 13.2849595556945 split increased to 2 itime 114516 itsplit 1 acceleration/energy drift too large 6.53334308136208 17.1429048544320 split increased to 2 itime 114687 itsplit 1 acceleration/energy drift too large 5.49126088265693 15.0726841996235 split increased to 2 itime 116232 itsplit 1 acceleration/energy drift too large 2.35083952362108 16.2615651242920 split increased to 2 itime 119069 itsplit 1 acceleration/energy drift too large 2.53374937388076 13.7890630887510 split increased to 2 itime 119365 itsplit 1 acceleration/energy drift too large 5.68869941458716 17.1251864508609 split increased to 2 itime 119589 itsplit 1 Velocities reset to random values, time 23999.80 acceleration/energy drift too large 3.46875069672194 14.1650871917352 split increased to 2 itime 120024 itsplit 1 acceleration/energy drift too large 5.35983273753198 17.7545992959714 split increased to 2 itime 120722 itsplit 1 acceleration/energy drift too large 2.69115114165305 12.5578282153985 split increased to 2 itime 121072 itsplit 1 acceleration/energy drift too large 8.92426812054165 43.0380153963682 split increased to 2 itime 121593 itsplit 1 acceleration/energy drift too large 2.80862827736768 17.8780743426604 split increased to 4 itime 121593 itsplit 1 acceleration/energy drift too large 6.44963434250421 27.0704195221939 split increased to 2 itime 123932 itsplit 1 acceleration/energy drift too large 11.4204880014522 77.2449800161233 split increased to 2 itime 125528 itsplit 1 acceleration/energy drift too large 6.26956083802194 15.0033705470759 split increased to 2 itime 129953 itsplit 1 Velocities reset to random values, time 25999.80 acceleration/energy drift too large 11.9950337692422 66.7445687178871 split increased to 2 itime 131446 itsplit 1 acceleration/energy drift too large 7.39799040535664 25.4558017873048 split increased to 2 itime 133388 itsplit 1 acceleration/energy drift too large 7.80533028372326 49.8575549355695 split increased to 2 itime 133766 itsplit 1 acceleration/energy drift too large 4.57106664339688 11.5383805377247 split increased to 2 itime 135200 itsplit 1 acceleration/energy drift too large 2.46638430907786 12.0236663284555 split increased to 2 itime 138415 itsplit 1 Velocities reset to random values, time 27999.80 acceleration/energy drift too large 4.09953985498909 11.4755856424183 split increased to 2 itime 140183 itsplit 1 acceleration/energy drift too large 3.04683218402603 11.2554979946582 split increased to 2 itime 140926 itsplit 1 acceleration/energy drift too large 3.79217439911290 10.8635749654404 split increased to 2 itime 142747 itsplit 1 acceleration/energy drift too large 3.26775080400935 19.8580527907864 split increased to 2 itime 143947 itsplit 1 acceleration/energy drift too large 6.91951069605565 21.0009780640194 split increased to 2 itime 144124 itsplit 1 acceleration/energy drift too large 4.23198220778981 11.7038874075694 split increased to 2 itime 144960 itsplit 1 acceleration/energy drift too large 3.61395855980471 26.7041938628218 split increased to 2 itime 145575 itsplit 1 acceleration/energy drift too large 9.06140948726832 38.5046050873916 split increased to 2 itime 146889 itsplit 1 acceleration/energy drift too large 4.36632722688913 14.8000149348647 split increased to 2 itime 148748 itsplit 1 acceleration/energy drift too large 4.54092210925177 13.4100664026597 split increased to 2 itime 149897 itsplit 1 Velocities reset to random values, time 29999.80 acceleration/energy drift too large 6.47119178764283 10.7719348396560 split increased to 2 itime 151203 itsplit 1 acceleration/energy drift too large 8.00413343430371 25.0047637139609 split increased to 2 itime 152674 itsplit 1 acceleration/energy drift too large 8.11033650851310 43.2921294888434 split increased to 2 itime 153906 itsplit 1 acceleration/energy drift too large 5.73774808748230 41.3121996205828 split increased to 2 itime 154566 itsplit 1 acceleration/energy drift too large 4.83658630972499 11.2263777037460 split increased to 2 itime 156598 itsplit 1 acceleration/energy drift too large 15.4574211568038 110.492945675102 split increased to 2 itime 157700 itsplit 1 acceleration/energy drift too large 2.33923685921131 11.1333985374754 split increased to 4 itime 157700 itsplit 2 acceleration/energy drift too large 2.67362685257378 24.5366014360706 split increased to 2 itime 157902 itsplit 1 acceleration/energy drift too large 4.20358949652687 15.5833076545541 split increased to 2 itime 158586 itsplit 1 acceleration/energy drift too large 7.17712699417804 26.9852030152952 split increased to 2 itime 159307 itsplit 1 Velocities reset to random values, time 31999.80 acceleration/energy drift too large 3.24794940144217 14.2734384626896 split increased to 2 itime 160193 itsplit 1 acceleration/energy drift too large 3.43970294419817 10.1171354204279 split increased to 2 itime 160199 itsplit 1 acceleration/energy drift too large 2.06897556646671 10.6296009166735 split increased to 2 itime 160200 itsplit 1 acceleration/energy drift too large 2.77169775964682 14.7755942435251 split increased to 2 itime 160211 itsplit 1 acceleration/energy drift too large 3.42977414913289 11.8186996365778 split increased to 2 itime 160217 itsplit 1 acceleration/energy drift too large 3.50975405150415 15.0678438787267 split increased to 2 itime 162389 itsplit 1 acceleration/energy drift too large 3.41646887105571 13.0056729464677 split increased to 2 itime 162559 itsplit 1 acceleration/energy drift too large 4.20560385169009 12.6608673993539 split increased to 2 itime 162629 itsplit 1 acceleration/energy drift too large 8.85761141711838 34.9170962666287 split increased to 2 itime 163319 itsplit 1 acceleration/energy drift too large 3.06853395465094 23.2095134557028 split increased to 2 itime 165420 itsplit 1 acceleration/energy drift too large 11.5215696811755 73.0001952199420 split increased to 2 itime 167940 itsplit 1 acceleration/energy drift too large 14.2581978392574 78.8414676738210 split increased to 2 itime 168392 itsplit 1 acceleration/energy drift too large 8.11137643447097 25.7749786429328 split increased to 2 itime 168987 itsplit 1 Velocities reset to random values, time 33999.80 acceleration/energy drift too large 4.94449710560333 27.5960117047999 split increased to 2 itime 170962 itsplit 1 acceleration/energy drift too large 5.80114466418178 37.0142957243123 split increased to 2 itime 171123 itsplit 1 acceleration/energy drift too large 8.17697353258330 32.5607784627130 split increased to 2 itime 171238 itsplit 1 acceleration/energy drift too large 4.67706335661793 13.8446094467380 split increased to 2 itime 171951 itsplit 1 acceleration/energy drift too large 3.55821361094147 12.6928119421075 split increased to 2 itime 172153 itsplit 1 acceleration/energy drift too large 2.68882159975445 18.7046804242565 split increased to 2 itime 172383 itsplit 1 acceleration/energy drift too large 4.81339966386691 11.0429044904753 split increased to 2 itime 173978 itsplit 1 acceleration/energy drift too large 6.44559547568225 17.5187311550819 split increased to 2 itime 175581 itsplit 1 Velocities reset to random values, time 35999.80 acceleration/energy drift too large 7.63015780686967 38.2167304588196 split increased to 2 itime 181534 itsplit 1 acceleration/energy drift too large 4.24586808539030 27.1452160067227 split increased to 2 itime 184738 itsplit 1 acceleration/energy drift too large 2.52604350435751 12.8679021516249 split increased to 2 itime 185131 itsplit 1 acceleration/energy drift too large 3.07991978539439 18.4856171599058 split increased to 2 itime 187016 itsplit 1 acceleration/energy drift too large 17.2341559140548 109.558196953544 split increased to 2 itime 187263 itsplit 1 acceleration/energy drift too large 2.70407111680038 11.9766440019272 split increased to 2 itime 187797 itsplit 1 acceleration/energy drift too large 2.85601163420964 10.4667912218996 split increased to 2 itime 187962 itsplit 1 acceleration/energy drift too large 3.54860371888249 17.0409764352721 split increased to 2 itime 189108 itsplit 1 Velocities reset to random values, time 37999.80 acceleration/energy drift too large 4.17545222375564 14.0350918790853 split increased to 2 itime 190536 itsplit 1 acceleration/energy drift too large 5.38725125175909 13.7194815171194 split increased to 2 itime 192983 itsplit 1 acceleration/energy drift too large 4.13121779390983 10.4707404865971 split increased to 2 itime 195632 itsplit 1 acceleration/energy drift too large 2.69929022213329 13.1670958223454 split increased to 2 itime 195633 itsplit 1 acceleration/energy drift too large 4.30213556284370 16.6021758474957 split increased to 2 itime 196151 itsplit 1 Velocities reset to random values, time 39999.80 REMD synchro at 200000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 82.4257812500000 0.000000000000000E+000 REMD writing rst time= 7.812500000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.25000 4 ACC 2 260.00000 0.25000 4 ACC 3 270.00000 0.50000 4 ACC 4 280.00000 0.75000 4 ACC 5 290.00000 1.00000 4 ACC 6 300.00000 0.75000 4 ACC 7 310.00000 0.50000 4 ACC 8 320.00000 0.75000 4 ACC 9 330.00000 0.50000 4 ACC 10 340.00000 0.50000 4 ACC 11 350.00000 1.00000 4 ACC 12 360.00000 0.75000 4 ACC 13 370.00000 1.00000 4 ACC 14 380.00000 1.00000 4 ACC 15 390.00000 1.00000 4 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 1.171875000000000E-002 acceleration/energy drift too large 7.30090016283820 15.7095332932774 split increased to 2 itime 200041 itsplit 1 acceleration/energy drift too large 2.42357508774481 13.8339712481104 split increased to 2 itime 201335 itsplit 1 acceleration/energy drift too large 2.56339983715425 16.0371804329780 split increased to 2 itime 201526 itsplit 1 acceleration/energy drift too large 7.55589930988574 24.6175594354758 split increased to 2 itime 202603 itsplit 1 acceleration/energy drift too large 2.93841099794953 18.6718639219353 split increased to 2 itime 207848 itsplit 1 acceleration/energy drift too large 6.57747310707990 24.5034800133647 split increased to 2 itime 208740 itsplit 1 acceleration/energy drift too large 2.83168809868655 16.7704745262047 split increased to 2 itime 209346 itsplit 1 acceleration/energy drift too large 3.76135969385638 10.4831455893703 split increased to 2 itime 209988 itsplit 1 Velocities reset to random values, time 41999.80 acceleration/energy drift too large 2.68658560955684 20.0265063324112 split increased to 2 itime 211006 itsplit 1 acceleration/energy drift too large 7.00458441848942 22.0926248300972 split increased to 2 itime 212729 itsplit 1 acceleration/energy drift too large 2.30068733485124 12.1738774115241 split increased to 2 itime 212950 itsplit 1 acceleration/energy drift too large 8.55397300503514 31.6111139472683 split increased to 2 itime 213200 itsplit 1 acceleration/energy drift too large 2.12345485781168 14.9237985195986 split increased to 2 itime 213449 itsplit 1 acceleration/energy drift too large 9.11976435795469 52.2898887375870 split increased to 2 itime 213545 itsplit 1 acceleration/energy drift too large 2.88176433900706 11.7912237553042 split increased to 2 itime 214716 itsplit 1 Velocities reset to random values, time 43999.80 acceleration/energy drift too large 4.76808917908119 15.9308946339895 split increased to 2 itime 220144 itsplit 1 acceleration/energy drift too large 2.36642618455310 11.0144061062010 split increased to 2 itime 221270 itsplit 1 acceleration/energy drift too large 2.92527334489512 15.6715426426950 split increased to 2 itime 221668 itsplit 1 acceleration/energy drift too large 3.59894411448008 11.1107191014724 split increased to 2 itime 222058 itsplit 1 acceleration/energy drift too large 5.78835431098490 13.3093708837810 split increased to 2 itime 224122 itsplit 1 acceleration/energy drift too large 3.99231761831174 12.8986251999848 split increased to 2 itime 225566 itsplit 1 acceleration/energy drift too large 5.03770169547065 14.4393902079831 split increased to 2 itime 226145 itsplit 1 acceleration/energy drift too large 10.3554665602495 51.5033654655858 split increased to 2 itime 228607 itsplit 1 Velocities reset to random values, time 45999.80 acceleration/energy drift too large 8.05806531710266 28.8555573947498 split increased to 2 itime 231119 itsplit 1 acceleration/energy drift too large 3.60727368031391 22.0785135191138 split increased to 2 itime 234080 itsplit 1 acceleration/energy drift too large 1.70525784718388 10.7413446217379 split increased to 2 itime 235449 itsplit 1 acceleration/energy drift too large 1.57628025985414 11.1728863903929 split increased to 2 itime 235708 itsplit 1 acceleration/energy drift too large 3.79752381663291 24.4572348002863 split increased to 2 itime 235813 itsplit 1 acceleration/energy drift too large 3.65596796870913 23.1880298720412 split increased to 2 itime 238988 itsplit 1 acceleration/energy drift too large 2.71936314809597 18.8825708665668 split increased to 2 itime 239232 itsplit 1 Velocities reset to random values, time 47999.80 acceleration/energy drift too large 2.47032591107281 10.9075046296878 split increased to 2 itime 245214 itsplit 1 acceleration/energy drift too large 6.68159249653997 23.4360536297165 split increased to 2 itime 246124 itsplit 1 acceleration/energy drift too large 5.17277593040770 11.4891680647349 split increased to 2 itime 249861 itsplit 1 Velocities reset to random values, time 49999.80 acceleration/energy drift too large 5.15567827352112 14.6234668383740 split increased to 2 itime 252279 itsplit 1 acceleration/energy drift too large 5.45218898768761 19.6740849541865 split increased to 2 itime 253840 itsplit 1 acceleration/energy drift too large 4.27674928918327 12.0560902957838 split increased to 2 itime 256317 itsplit 1 acceleration/energy drift too large 5.89510846708766 20.1060453055151 split increased to 2 itime 257318 itsplit 1 Velocities reset to random values, time 51999.80 acceleration/energy drift too large 5.92801510090747 22.8305382087534 split increased to 2 itime 260439 itsplit 1 acceleration/energy drift too large 6.18507516147294 19.0999571280660 split increased to 2 itime 263163 itsplit 1 acceleration/energy drift too large 7.24020986098480 31.4291107757521 split increased to 2 itime 266460 itsplit 1 acceleration/energy drift too large 6.04665066325909 13.2045410376898 split increased to 2 itime 266886 itsplit 1 acceleration/energy drift too large 4.66026841148865 20.5167921658422 split increased to 2 itime 266956 itsplit 1 acceleration/energy drift too large 5.70423760883707 15.4259467242031 split increased to 2 itime 268777 itsplit 1 acceleration/energy drift too large 7.53428887904614 20.2300158871391 split increased to 2 itime 269194 itsplit 1 acceleration/energy drift too large 2.60621408685723 16.3155411539841 split increased to 2 itime 269853 itsplit 1 Velocities reset to random values, time 53999.80 acceleration/energy drift too large 5.74325060053348 15.4945115980728 split increased to 2 itime 270770 itsplit 1 acceleration/energy drift too large 9.87939218979541 33.7837453874661 split increased to 2 itime 276194 itsplit 1 acceleration/energy drift too large 5.21156391837195 10.0979936026060 split increased to 2 itime 276527 itsplit 1 acceleration/energy drift too large 6.14672081204588 16.5305278849373 split increased to 2 itime 277215 itsplit 1 acceleration/energy drift too large 8.62006136446299 33.8226291806146 split increased to 2 itime 277544 itsplit 1 acceleration/energy drift too large 2.60884468541901 12.7434801487574 split increased to 4 itime 277544 itsplit 1 acceleration/energy drift too large 5.16077804443159 11.8794425656279 split increased to 2 itime 277758 itsplit 1 acceleration/energy drift too large 4.94426554045047 14.8093307012506 split increased to 2 itime 277904 itsplit 1 Velocities reset to random values, time 55999.80 acceleration/energy drift too large 7.17459655174860 13.2412304825822 split increased to 2 itime 282778 itsplit 1 acceleration/energy drift too large 4.22641348778808 10.1440059139484 split increased to 2 itime 284911 itsplit 1 acceleration/energy drift too large 4.64582996423248 15.4837273910564 split increased to 2 itime 286473 itsplit 1 acceleration/energy drift too large 4.08595625781387 11.1460974323839 split increased to 2 itime 286933 itsplit 1 acceleration/energy drift too large 2.19067749869458 11.8843351515195 split increased to 2 itime 287486 itsplit 1 Velocities reset to random values, time 57999.80 acceleration/energy drift too large 4.57648020139244 12.5786733316445 split increased to 2 itime 290348 itsplit 1 acceleration/energy drift too large 5.80267876042894 17.1998318064312 split increased to 2 itime 291055 itsplit 1 acceleration/energy drift too large 8.40274351953998 39.4857927014631 split increased to 2 itime 292852 itsplit 1 acceleration/energy drift too large 8.53178193741574 35.1859515915814 split increased to 2 itime 296389 itsplit 1 acceleration/energy drift too large 2.40076289210309 18.2372146671887 split increased to 2 itime 296736 itsplit 1 acceleration/energy drift too large 1.66755721706243 11.3829331634424 split increased to 2 itime 296804 itsplit 1 acceleration/energy drift too large 4.95069416582966 16.5582299633402 split increased to 2 itime 297326 itsplit 1 acceleration/energy drift too large 5.44096351126932 13.0203131736102 split increased to 2 itime 297849 itsplit 1 acceleration/energy drift too large 1.96041354960641 13.2275501941364 split increased to 2 itime 299073 itsplit 1 Velocities reset to random values, time 59999.80 REMD synchro at 300000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 124.101562500000 0.000000000000000E+000 REMD writing rst time= 7.812500000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.16667 6 ACC 2 260.00000 0.16667 6 ACC 3 270.00000 0.66667 6 ACC 4 280.00000 0.83333 6 ACC 5 290.00000 0.83333 6 ACC 6 300.00000 0.83333 6 ACC 7 310.00000 0.66667 6 ACC 8 320.00000 0.66667 6 ACC 9 330.00000 0.66667 6 ACC 10 340.00000 0.50000 6 ACC 11 350.00000 1.00000 6 ACC 12 360.00000 0.83333 6 ACC 13 370.00000 0.83333 6 ACC 14 380.00000 1.00000 6 ACC 15 390.00000 1.00000 6 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 11.8835850656472 59.3605813372361 split increased to 2 itime 300687 itsplit 1 acceleration/energy drift too large 3.03188083380591 20.0776219255604 split increased to 2 itime 302450 itsplit 1 acceleration/energy drift too large 7.18724375516662 18.8235967892789 split increased to 2 itime 307116 itsplit 1 acceleration/energy drift too large 5.23440751513935 15.5328261688308 split increased to 2 itime 307978 itsplit 1 acceleration/energy drift too large 5.18891311133133 11.5486517135082 split increased to 2 itime 309048 itsplit 1 Velocities reset to random values, time 61999.80 acceleration/energy drift too large 5.94596316829142 15.6697169716881 split increased to 2 itime 310771 itsplit 1 acceleration/energy drift too large 4.50128909677026 11.7188941428861 split increased to 2 itime 311184 itsplit 1 acceleration/energy drift too large 2.88727459001362 17.0613881289454 split increased to 2 itime 315121 itsplit 1 acceleration/energy drift too large 5.99451845301504 14.7446320304424 split increased to 2 itime 316666 itsplit 1 acceleration/energy drift too large 4.69555790040009 10.2635773873968 split increased to 2 itime 316770 itsplit 1 acceleration/energy drift too large 5.61109984052246 23.5248838504998 split increased to 2 itime 317009 itsplit 1 acceleration/energy drift too large 3.97626273882810 10.7050158097533 split increased to 2 itime 318451 itsplit 1 acceleration/energy drift too large 3.93026888825868 14.4340790296369 split increased to 2 itime 319151 itsplit 1 acceleration/energy drift too large 3.76885090296648 18.0826927449576 split increased to 2 itime 319805 itsplit 1 Velocities reset to random values, time 63999.80 acceleration/energy drift too large 4.08803942705843 11.8205873394884 split increased to 2 itime 322007 itsplit 1 acceleration/energy drift too large 3.92579781793047 15.7690873890693 split increased to 2 itime 323090 itsplit 1 acceleration/energy drift too large 4.27265135737032 14.1668109960266 split increased to 2 itime 325937 itsplit 1 acceleration/energy drift too large 5.43768307623320 23.9371557270110 split increased to 2 itime 328670 itsplit 1 acceleration/energy drift too large 4.21832835656375 31.0777205779123 split increased to 2 itime 328707 itsplit 1 acceleration/energy drift too large 1.70192975547704 10.4776889889865 split increased to 2 itime 328842 itsplit 1 Velocities reset to random values, time 65999.80 acceleration/energy drift too large 2.00267703933908 15.3628840282712 split increased to 2 itime 330736 itsplit 1 acceleration/energy drift too large 1.95149143561907 12.0354335193892 split increased to 2 itime 331015 itsplit 1 acceleration/energy drift too large 8.50880094431559 36.0291693574321 split increased to 2 itime 331576 itsplit 1 acceleration/energy drift too large 4.11280909622188 12.6777598090510 split increased to 2 itime 332833 itsplit 1 acceleration/energy drift too large 2.22760588862768 10.8649737769088 split increased to 2 itime 333353 itsplit 1 acceleration/energy drift too large 2.49037525269784 14.4140412569917 split increased to 2 itime 333954 itsplit 1 acceleration/energy drift too large 9.35824594007578 38.9619479321842 split increased to 2 itime 334287 itsplit 1 acceleration/energy drift too large 3.04840990182969 11.3509207152102 split increased to 2 itime 335521 itsplit 1 acceleration/energy drift too large 3.61934285190469 25.7081689100085 split increased to 2 itime 336824 itsplit 1 acceleration/energy drift too large 5.95062799615278 17.9255368522967 split increased to 2 itime 339137 itsplit 1 Velocities reset to random values, time 67999.80 acceleration/energy drift too large 3.45314811481441 10.0210100363967 split increased to 2 itime 341392 itsplit 1 acceleration/energy drift too large 1.58845073930669 10.6098090008530 split increased to 2 itime 341393 itsplit 1 acceleration/energy drift too large 6.21668524740143 14.9376410344947 split increased to 2 itime 344017 itsplit 1 acceleration/energy drift too large 10.3177225098124 50.2717257267007 split increased to 2 itime 345783 itsplit 1 acceleration/energy drift too large 6.39059870300033 23.5681868470340 split increased to 2 itime 346085 itsplit 1 acceleration/energy drift too large 9.20679280045481 37.6232587936596 split increased to 2 itime 347528 itsplit 1 acceleration/energy drift too large 6.59503915040581 19.6680568385312 split increased to 2 itime 347864 itsplit 1 acceleration/energy drift too large 2.65626970328201 10.9481060188250 split increased to 2 itime 347865 itsplit 1 acceleration/energy drift too large 5.49042150473414 12.9021779746950 split increased to 2 itime 348025 itsplit 1 Velocities reset to random values, time 69999.80 acceleration/energy drift too large 5.97944405569452 20.1039031952161 split increased to 2 itime 351493 itsplit 1 acceleration/energy drift too large 15.2963949499821 103.353946536942 split increased to 2 itime 352446 itsplit 1 acceleration/energy drift too large 3.06470587628376 14.3345739538126 split increased to 2 itime 353215 itsplit 1 acceleration/energy drift too large 5.57433151031143 38.2541405007332 split increased to 2 itime 353228 itsplit 1 acceleration/energy drift too large 5.39193319947123 12.4747610144976 split increased to 2 itime 355975 itsplit 1 acceleration/energy drift too large 6.18131488988839 12.9297812066157 split increased to 2 itime 356620 itsplit 1 acceleration/energy drift too large 6.22923911003962 19.7207711455965 split increased to 2 itime 358243 itsplit 1 Velocities reset to random values, time 71999.80 acceleration/energy drift too large 3.87235344064219 10.1210735436387 split increased to 2 itime 360556 itsplit 1 acceleration/energy drift too large 2.86176734731506 23.9901172813311 split increased to 2 itime 361159 itsplit 1 acceleration/energy drift too large 2.99764827998036 11.5689534933833 split increased to 2 itime 362896 itsplit 1 acceleration/energy drift too large 5.58999297362174 13.6066182154703 split increased to 2 itime 365252 itsplit 1 acceleration/energy drift too large 3.97199902684499 22.5436941512342 split increased to 2 itime 365611 itsplit 1 acceleration/energy drift too large 4.21567840004456 10.6009727213378 split increased to 2 itime 367534 itsplit 1 Velocities reset to random values, time 73999.80 acceleration/energy drift too large 5.91942291413027 20.7471231299233 split increased to 2 itime 370129 itsplit 1 acceleration/energy drift too large 6.25563074698015 23.8579054180979 split increased to 2 itime 374181 itsplit 1 acceleration/energy drift too large 3.84134767331433 12.1971843818663 split increased to 2 itime 374295 itsplit 1 acceleration/energy drift too large 4.24090764754051 11.2489538446443 split increased to 2 itime 374597 itsplit 1 acceleration/energy drift too large 5.48727927291931 33.2378616431118 split increased to 2 itime 375491 itsplit 1 acceleration/energy drift too large 4.14974596991423 21.5975911906477 split increased to 2 itime 376451 itsplit 1 acceleration/energy drift too large 5.59031435196680 10.2633124685847 split increased to 2 itime 377003 itsplit 1 acceleration/energy drift too large 3.73198654291689 17.8973424463536 split increased to 2 itime 377712 itsplit 1 Velocities reset to random values, time 75999.80 acceleration/energy drift too large 10.2393218649492 59.1942278126544 split increased to 2 itime 380872 itsplit 1 acceleration/energy drift too large 3.20515871787138 15.4418107051870 split increased to 2 itime 381099 itsplit 1 acceleration/energy drift too large 8.87256116114153 39.4609076906812 split increased to 2 itime 381911 itsplit 1 acceleration/energy drift too large 3.64874574606788 16.9939705715486 split increased to 2 itime 382370 itsplit 1 acceleration/energy drift too large 6.79420380742341 29.8186737799615 split increased to 2 itime 382471 itsplit 1 acceleration/energy drift too large 10.3675808868022 52.2640308590989 split increased to 2 itime 385042 itsplit 1 acceleration/energy drift too large 5.48088579585186 10.0756626819146 split increased to 2 itime 385578 itsplit 1 acceleration/energy drift too large 2.09137444106022 13.4934710508630 split increased to 2 itime 388224 itsplit 1 acceleration/energy drift too large 8.44874727981708 31.8804504890599 split increased to 2 itime 389246 itsplit 1 Velocities reset to random values, time 77999.80 acceleration/energy drift too large 5.23778880725004 21.7315411929465 split increased to 2 itime 390309 itsplit 1 acceleration/energy drift too large 5.31767249130026 11.6382724895183 split increased to 2 itime 393673 itsplit 1 acceleration/energy drift too large 4.35515625559030 13.2041317374769 split increased to 2 itime 393899 itsplit 1 acceleration/energy drift too large 3.00916457256979 19.9929199155991 split increased to 2 itime 395128 itsplit 1 acceleration/energy drift too large 7.18287904236072 17.2442328139823 split increased to 2 itime 395629 itsplit 1 acceleration/energy drift too large 4.95402334956287 10.5139037712410 split increased to 2 itime 396033 itsplit 1 acceleration/energy drift too large 8.65499609457530 27.8476204575101 split increased to 2 itime 396532 itsplit 1 acceleration/energy drift too large 6.36182556517703 21.8885867397166 split increased to 2 itime 396890 itsplit 1 acceleration/energy drift too large 2.86024237243479 15.7876634364277 split increased to 4 itime 396890 itsplit 1 acceleration/energy drift too large 5.13634510980324 18.5477778744243 split increased to 2 itime 397527 itsplit 1 Velocities reset to random values, time 79999.80 REMD synchro at 400000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 165.867187500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.25000 8 ACC 2 260.00000 0.25000 8 ACC 3 270.00000 0.62500 8 ACC 4 280.00000 0.75000 8 ACC 5 290.00000 0.75000 8 ACC 6 300.00000 0.87500 8 ACC 7 310.00000 0.62500 8 ACC 8 320.00000 0.62500 8 ACC 9 330.00000 0.75000 8 ACC 10 340.00000 0.62500 8 ACC 11 350.00000 0.87500 8 ACC 12 360.00000 0.75000 8 ACC 13 370.00000 0.62500 8 ACC 14 380.00000 1.00000 8 ACC 15 390.00000 0.87500 8 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 4.08131104433865 28.1214069943210 split increased to 2 itime 400520 itsplit 1 acceleration/energy drift too large 2.68546289740008 19.2504803511104 split increased to 2 itime 401559 itsplit 1 acceleration/energy drift too large 3.65092498874972 12.7372514704889 split increased to 2 itime 402250 itsplit 1 acceleration/energy drift too large 3.69529495445388 10.5592900051384 split increased to 2 itime 402558 itsplit 1 acceleration/energy drift too large 8.58321631406168 35.5301679067614 split increased to 2 itime 403454 itsplit 1 acceleration/energy drift too large 5.89506313455245 22.5097543780549 split increased to 2 itime 404329 itsplit 1 acceleration/energy drift too large 2.42166556921768 10.2095056219588 split increased to 2 itime 405408 itsplit 1 acceleration/energy drift too large 5.82335807818702 10.8549644336888 split increased to 2 itime 406497 itsplit 1 acceleration/energy drift too large 6.09315136008160 16.0551397541081 split increased to 2 itime 406736 itsplit 1 acceleration/energy drift too large 6.10829318400511 30.0463360999633 split increased to 2 itime 407121 itsplit 1 acceleration/energy drift too large 6.79774409551392 26.7507801989400 split increased to 2 itime 409603 itsplit 1 acceleration/energy drift too large 4.63909560024811 11.1537360813933 split increased to 2 itime 409648 itsplit 1 Velocities reset to random values, time 81999.80 acceleration/energy drift too large 3.44189022432154 21.7710428922571 split increased to 2 itime 413946 itsplit 1 acceleration/energy drift too large 5.10165621132056 12.5489215229761 split increased to 2 itime 413975 itsplit 1 acceleration/energy drift too large 3.68775356786942 15.0518447274982 split increased to 2 itime 413976 itsplit 1 acceleration/energy drift too large 5.73712258860992 28.4695493296148 split increased to 2 itime 414140 itsplit 1 acceleration/energy drift too large 5.57709538150628 11.9589836077116 split increased to 2 itime 414583 itsplit 1 acceleration/energy drift too large 2.39252674362135 17.6382499065707 split increased to 2 itime 416651 itsplit 1 acceleration/energy drift too large 4.63784037850490 16.1308152674910 split increased to 2 itime 416711 itsplit 1 acceleration/energy drift too large 2.66129801062715 10.0309315599572 split increased to 2 itime 419592 itsplit 1 acceleration/energy drift too large 2.77020354478237 10.2650644471345 split increased to 2 itime 419919 itsplit 1 Velocities reset to random values, time 83999.80 acceleration/energy drift too large 2.97696674649760 17.7250677071281 split increased to 2 itime 421250 itsplit 1 acceleration/energy drift too large 2.96875111277707 17.2227980858951 split increased to 2 itime 422059 itsplit 1 acceleration/energy drift too large 4.68122032429797 26.9812980480402 split increased to 2 itime 423154 itsplit 1 acceleration/energy drift too large 2.26424666114932 13.0007141827916 split increased to 2 itime 424789 itsplit 1 acceleration/energy drift too large 4.67513722974459 12.0557143057046 split increased to 2 itime 425202 itsplit 1 acceleration/energy drift too large 2.71592608059469 12.2888955798954 split increased to 2 itime 427298 itsplit 1 acceleration/energy drift too large 10.1089063652153 46.1714055530536 split increased to 2 itime 427584 itsplit 1 acceleration/energy drift too large 5.14945938779930 20.2003085866792 split increased to 2 itime 429063 itsplit 1 Velocities reset to random values, time 85999.80 acceleration/energy drift too large 2.89783185551242 23.2076019551570 split increased to 2 itime 431683 itsplit 1 acceleration/energy drift too large 5.65681766975093 20.2744130535160 split increased to 2 itime 432934 itsplit 1 acceleration/energy drift too large 4.42669842749397 11.0745023704507 split increased to 2 itime 433314 itsplit 1 acceleration/energy drift too large 2.64300034012740 19.7197273095589 split increased to 2 itime 433909 itsplit 1 acceleration/energy drift too large 5.27669373346948 17.2535025548032 split increased to 2 itime 434027 itsplit 1 acceleration/energy drift too large 4.19082813980399 11.3353741850572 split increased to 2 itime 434266 itsplit 1 acceleration/energy drift too large 3.83123080852383 22.5494514024701 split increased to 2 itime 434268 itsplit 1 acceleration/energy drift too large 13.3843247843890 97.0198699757399 split increased to 2 itime 437216 itsplit 1 acceleration/energy drift too large 3.21453272257655 24.0262884531644 split increased to 2 itime 437643 itsplit 1 acceleration/energy drift too large 5.58309206386641 34.8731192386739 split increased to 2 itime 437865 itsplit 1 acceleration/energy drift too large 4.08927457417570 18.8614037483303 split increased to 2 itime 439344 itsplit 1 Velocities reset to random values, time 87999.80 acceleration/energy drift too large 2.84092081062721 18.2818596292938 split increased to 2 itime 440902 itsplit 1 acceleration/energy drift too large 7.61378505729166 27.9273058029887 split increased to 2 itime 441207 itsplit 1 acceleration/energy drift too large 6.71741245272129 18.3666169032081 split increased to 2 itime 441498 itsplit 1 acceleration/energy drift too large 2.09797310899579 15.8538736910526 split increased to 2 itime 441964 itsplit 1 acceleration/energy drift too large 4.79259265862290 23.8624282961871 split increased to 2 itime 443290 itsplit 1 acceleration/energy drift too large 9.61283488733788 42.2861471824891 split increased to 2 itime 446254 itsplit 1 acceleration/energy drift too large 5.80010767319744 11.6594933889414 split increased to 2 itime 446677 itsplit 1 acceleration/energy drift too large 5.54363461747517 11.3470711278185 split increased to 2 itime 447740 itsplit 1 Velocities reset to random values, time 89999.80 acceleration/energy drift too large 2.19411944625419 10.5867598635033 split increased to 2 itime 453246 itsplit 1 acceleration/energy drift too large 5.24153589803471 13.1606676254627 split increased to 2 itime 453846 itsplit 1 acceleration/energy drift too large 3.53813905744832 19.2476536725415 split increased to 2 itime 454556 itsplit 1 acceleration/energy drift too large 3.48911372254137 21.6847586376759 split increased to 2 itime 454927 itsplit 1 acceleration/energy drift too large 10.4056972241836 57.9255616918442 split increased to 2 itime 455339 itsplit 1 acceleration/energy drift too large 5.90589318946003 15.6300978326363 split increased to 2 itime 456330 itsplit 1 acceleration/energy drift too large 4.45985492448762 11.9203321288071 split increased to 2 itime 456530 itsplit 1 acceleration/energy drift too large 4.26928155884929 12.0138039899545 split increased to 2 itime 456841 itsplit 1 acceleration/energy drift too large 4.68747752629654 16.6195962770648 split increased to 2 itime 458999 itsplit 1 acceleration/energy drift too large 5.28483581931999 20.3142444413269 split increased to 2 itime 459546 itsplit 1 acceleration/energy drift too large 6.21508537208734 40.3172032563645 split increased to 2 itime 459736 itsplit 1 Velocities reset to random values, time 91999.80 acceleration/energy drift too large 2.04425009165896 15.4407702813567 split increased to 2 itime 460271 itsplit 1 acceleration/energy drift too large 8.72646906074623 31.0150046007286 split increased to 2 itime 462796 itsplit 1 acceleration/energy drift too large 3.76270007579637 13.7473479513912 split increased to 2 itime 465030 itsplit 1 acceleration/energy drift too large 5.81215140118286 16.9247933799676 split increased to 2 itime 465151 itsplit 1 acceleration/energy drift too large 2.16165827062120 11.8896945460193 split increased to 2 itime 466342 itsplit 1 acceleration/energy drift too large 2.44206101459086 13.9903850053909 split increased to 2 itime 466870 itsplit 1 acceleration/energy drift too large 4.02120415915202 21.6859134970394 split increased to 2 itime 467898 itsplit 1 acceleration/energy drift too large 3.87168348522190 16.4798814083216 split increased to 2 itime 467943 itsplit 1 acceleration/energy drift too large 3.01339281786167 10.6156224334280 split increased to 2 itime 468434 itsplit 1 acceleration/energy drift too large 4.94584161337681 12.7515244987281 split increased to 2 itime 468441 itsplit 1 acceleration/energy drift too large 9.37809517237604 33.0826214426526 split increased to 2 itime 468589 itsplit 1 acceleration/energy drift too large 3.01413489471433 24.9640039243721 split increased to 2 itime 469009 itsplit 1 Velocities reset to random values, time 93999.80 acceleration/energy drift too large 10.3896166341715 53.8415749834004 split increased to 2 itime 471685 itsplit 1 acceleration/energy drift too large 4.45448289851289 10.8729787504265 split increased to 2 itime 471820 itsplit 1 acceleration/energy drift too large 2.25622477190417 15.5567641243196 split increased to 2 itime 472338 itsplit 1 acceleration/energy drift too large 6.92195296793394 23.5797596205209 split increased to 2 itime 472831 itsplit 1 acceleration/energy drift too large 5.59436721052518 17.6959900514576 split increased to 2 itime 472991 itsplit 1 acceleration/energy drift too large 2.78698486538341 12.7112384526543 split increased to 2 itime 475631 itsplit 1 acceleration/energy drift too large 5.57423946814562 14.2960297707255 split increased to 2 itime 475870 itsplit 1 acceleration/energy drift too large 4.72454624800943 10.3231887148999 split increased to 2 itime 479609 itsplit 1 acceleration/energy drift too large 7.16693288846281 23.4992816951361 split increased to 2 itime 479896 itsplit 1 Velocities reset to random values, time 95999.80 acceleration/energy drift too large 9.58994641667122 40.7844280188477 split increased to 2 itime 480049 itsplit 1 acceleration/energy drift too large 2.06188903875319 12.2895571958580 split increased to 2 itime 480050 itsplit 1 acceleration/energy drift too large 7.49742729929865 25.9150998948367 split increased to 2 itime 480670 itsplit 1 acceleration/energy drift too large 4.39415164043224 14.1851658298882 split increased to 2 itime 480921 itsplit 1 acceleration/energy drift too large 3.92127864719573 10.5919582119646 split increased to 2 itime 481710 itsplit 1 acceleration/energy drift too large 5.37594934608175 10.4078903723203 split increased to 2 itime 484531 itsplit 1 acceleration/energy drift too large 2.69899722065388 12.4817540714063 split increased to 2 itime 485014 itsplit 1 acceleration/energy drift too large 3.23076363681653 14.4085071140903 split increased to 2 itime 485430 itsplit 1 acceleration/energy drift too large 3.59014128046676 10.4310076618583 split increased to 2 itime 485633 itsplit 1 acceleration/energy drift too large 9.52306636646957 45.1706982129731 split increased to 2 itime 485752 itsplit 1 acceleration/energy drift too large 4.32984886380681 21.5592146709994 split increased to 2 itime 486544 itsplit 1 Velocities reset to random values, time 97999.80 acceleration/energy drift too large 6.99897096133961 22.3465353698062 split increased to 2 itime 490836 itsplit 1 acceleration/energy drift too large 6.08294740363342 23.8878793681183 split increased to 2 itime 494465 itsplit 1 acceleration/energy drift too large 5.40740415215286 22.0534182303298 split increased to 2 itime 495178 itsplit 1 acceleration/energy drift too large 6.51972053879967 13.4453918384358 split increased to 2 itime 498272 itsplit 1 acceleration/energy drift too large 1.93706319042993 10.3690093699879 split increased to 2 itime 498903 itsplit 1 Velocities reset to random values, time 99999.80 REMD synchro at 500000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 206.769531250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.30000 10 ACC 2 260.00000 0.20000 10 ACC 3 270.00000 0.60000 10 ACC 4 280.00000 0.80000 10 ACC 5 290.00000 0.70000 10 ACC 6 300.00000 0.90000 10 ACC 7 310.00000 0.60000 10 ACC 8 320.00000 0.50000 10 ACC 9 330.00000 0.80000 10 ACC 10 340.00000 0.70000 10 ACC 11 350.00000 0.80000 10 ACC 12 360.00000 0.80000 10 ACC 13 370.00000 0.60000 10 ACC 14 380.00000 1.00000 10 ACC 15 390.00000 0.90000 10 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 2.73779437149400 13.7042452529319 split increased to 2 itime 502437 itsplit 1 acceleration/energy drift too large 8.92676375386783 34.3730580914860 split increased to 2 itime 505769 itsplit 1 acceleration/energy drift too large 3.17870217561276 13.2574384589638 split increased to 2 itime 506721 itsplit 1 acceleration/energy drift too large 5.45352126749485 11.1034727871275 split increased to 2 itime 507313 itsplit 1 acceleration/energy drift too large 4.77983446875819 16.4391412026538 split increased to 2 itime 507612 itsplit 1 acceleration/energy drift too large 5.22337562803196 15.4898404810955 split increased to 2 itime 509048 itsplit 1 acceleration/energy drift too large 5.73452479788637 13.9017423021263 split increased to 2 itime 509216 itsplit 1 acceleration/energy drift too large 3.01895127368496 10.7312036900092 split increased to 2 itime 509794 itsplit 1 Velocities reset to random values, time 101999.80 acceleration/energy drift too large 4.24098171167066 13.8707299083046 split increased to 2 itime 510270 itsplit 1 acceleration/energy drift too large 3.58514130334633 13.5889827814111 split increased to 2 itime 510532 itsplit 1 acceleration/energy drift too large 4.61878397799056 24.8229884465746 split increased to 2 itime 511343 itsplit 1 acceleration/energy drift too large 13.2303902550074 81.6156018691102 split increased to 2 itime 511988 itsplit 1 acceleration/energy drift too large 3.94365997870155 13.7675694047874 split increased to 2 itime 512122 itsplit 1 acceleration/energy drift too large 10.5156904941394 33.4604926752452 split increased to 2 itime 512664 itsplit 1 acceleration/energy drift too large 6.18409968291872 17.1960113597582 split increased to 2 itime 513527 itsplit 1 acceleration/energy drift too large 2.68090931151968 11.2637218207440 split increased to 2 itime 515123 itsplit 1 acceleration/energy drift too large 4.80604846241625 14.0350195957669 split increased to 2 itime 515611 itsplit 1 acceleration/energy drift too large 4.66509978160827 15.8018652207700 split increased to 2 itime 516366 itsplit 1 acceleration/energy drift too large 4.59552571661929 14.8933253791265 split increased to 2 itime 517839 itsplit 1 acceleration/energy drift too large 8.09975270056622 30.9755867545556 split increased to 2 itime 518672 itsplit 1 acceleration/energy drift too large 10.3978015559707 52.4503095829216 split increased to 2 itime 519283 itsplit 1 acceleration/energy drift too large 7.09341611400089 16.0403702332936 split increased to 2 itime 519923 itsplit 1 Velocities reset to random values, time 103999.80 acceleration/energy drift too large 2.39647937906399 14.8000252997061 split increased to 2 itime 520034 itsplit 1 acceleration/energy drift too large 4.13324535479762 12.4242500132600 split increased to 2 itime 520238 itsplit 1 acceleration/energy drift too large 4.29368500932871 17.9139191035096 split increased to 2 itime 521292 itsplit 1 acceleration/energy drift too large 3.40288322546732 11.1699337249036 split increased to 2 itime 521941 itsplit 1 acceleration/energy drift too large 5.86127208064540 21.5475122168981 split increased to 2 itime 523007 itsplit 1 acceleration/energy drift too large 6.48003821181801 12.4616890128783 split increased to 2 itime 523235 itsplit 1 acceleration/energy drift too large 4.26770150397311 10.4731894279542 split increased to 2 itime 523372 itsplit 1 acceleration/energy drift too large 3.57543545320117 11.0745750833288 split increased to 2 itime 524193 itsplit 1 acceleration/energy drift too large 2.15091910476234 11.1362747835414 split increased to 2 itime 524270 itsplit 1 acceleration/energy drift too large 2.92315785523942 15.4141166957378 split increased to 2 itime 525376 itsplit 1 acceleration/energy drift too large 2.86526795238280 10.9832820574567 split increased to 2 itime 525708 itsplit 1 acceleration/energy drift too large 4.27820140216715 22.1539414461780 split increased to 2 itime 525709 itsplit 1 acceleration/energy drift too large 0.973987471568014 10.2739248935335 split increased to 2 itime 525741 itsplit 1 acceleration/energy drift too large 3.47307217571836 10.1972649570678 split increased to 2 itime 525752 itsplit 1 acceleration/energy drift too large 3.02448643736156 13.8157094429412 split increased to 2 itime 525915 itsplit 1 acceleration/energy drift too large 2.77223477219073 21.0148696987104 split increased to 2 itime 525916 itsplit 1 acceleration/energy drift too large 6.02273308155385 13.0049229654569 split increased to 2 itime 526051 itsplit 1 acceleration/energy drift too large 4.33031213551804 11.6584020723687 split increased to 2 itime 526405 itsplit 1 acceleration/energy drift too large 2.89987660969666 10.2115294208513 split increased to 2 itime 526791 itsplit 1 acceleration/energy drift too large 5.52372885536780 13.5535612140281 split increased to 2 itime 528993 itsplit 1 Velocities reset to random values, time 105999.80 acceleration/energy drift too large 3.70275636200919 13.4710861934146 split increased to 2 itime 530474 itsplit 1 acceleration/energy drift too large 2.41571166696613 12.4602175693832 split increased to 2 itime 530858 itsplit 1 acceleration/energy drift too large 2.68349680397989 12.1152426457625 split increased to 2 itime 531249 itsplit 1 acceleration/energy drift too large 8.77758438657475 37.8439925956811 split increased to 2 itime 533008 itsplit 1 acceleration/energy drift too large 6.89339877829263 21.7218260282651 split increased to 2 itime 533631 itsplit 1 acceleration/energy drift too large 3.27003317336367 11.2969528184949 split increased to 2 itime 533632 itsplit 1 acceleration/energy drift too large 3.21117952990719 15.9270185873155 split increased to 2 itime 534114 itsplit 1 acceleration/energy drift too large 4.11978610302706 10.2979167192968 split increased to 2 itime 535361 itsplit 1 acceleration/energy drift too large 4.67166826625491 14.8946478841010 split increased to 2 itime 536759 itsplit 1 acceleration/energy drift too large 5.58771635661948 13.4983520798147 split increased to 2 itime 538072 itsplit 1 acceleration/energy drift too large 5.67939528348656 14.7626563059495 split increased to 2 itime 538922 itsplit 1 acceleration/energy drift too large 3.67716290810597 10.4469947285147 split increased to 2 itime 539096 itsplit 1 Velocities reset to random values, time 107999.80 acceleration/energy drift too large 5.98249217089775 16.2681936870645 split increased to 2 itime 540086 itsplit 1 acceleration/energy drift too large 4.77919757657508 20.8551686810403 split increased to 2 itime 540115 itsplit 1 acceleration/energy drift too large 2.32227318681514 10.7568571871876 split increased to 2 itime 540346 itsplit 1 acceleration/energy drift too large 9.07865693339212 43.1400048375336 split increased to 2 itime 540569 itsplit 1 acceleration/energy drift too large 4.47200704294252 12.6234219067852 split increased to 2 itime 540607 itsplit 1 acceleration/energy drift too large 6.28151566451018 28.0760975183786 split increased to 2 itime 541808 itsplit 1 acceleration/energy drift too large 5.24540037412473 17.8347197786324 split increased to 2 itime 541812 itsplit 1 acceleration/energy drift too large 2.96884080837995 18.6125200481597 split increased to 2 itime 542954 itsplit 1 acceleration/energy drift too large 3.55964969473170 10.6880795424455 split increased to 2 itime 543072 itsplit 1 acceleration/energy drift too large 7.22762546435958 19.5068981460213 split increased to 2 itime 544650 itsplit 1 acceleration/energy drift too large 4.73231833786203 11.3983392091166 split increased to 2 itime 546478 itsplit 1 acceleration/energy drift too large 7.18463896191423 22.9634768465345 split increased to 2 itime 548340 itsplit 1 acceleration/energy drift too large 8.32539664982766 31.3709421649855 split increased to 2 itime 548949 itsplit 1 Velocities reset to random values, time 109999.80 acceleration/energy drift too large 2.26466889492993 14.7346518116248 split increased to 2 itime 550130 itsplit 1 acceleration/energy drift too large 2.17718572580954 10.7152320023957 split increased to 2 itime 550305 itsplit 1 acceleration/energy drift too large 5.66823796957432 24.1623378667029 split increased to 2 itime 552142 itsplit 1 acceleration/energy drift too large 4.72338143136115 18.0162489470414 split increased to 2 itime 555455 itsplit 1 acceleration/energy drift too large 1.21814115993528 10.6557817486501 split increased to 2 itime 555456 itsplit 1 acceleration/energy drift too large 4.71873874217820 12.3045997542898 split increased to 2 itime 556735 itsplit 1 acceleration/energy drift too large 2.81864181280901 10.7578415287717 split increased to 2 itime 557254 itsplit 1 acceleration/energy drift too large 5.38880875585498 10.9436705870048 split increased to 2 itime 558322 itsplit 1 acceleration/energy drift too large 5.25018694787945 16.1244969217503 split increased to 2 itime 558825 itsplit 1 acceleration/energy drift too large 3.51199583606620 22.0186433413395 split increased to 2 itime 559533 itsplit 1 Velocities reset to random values, time 111999.80 acceleration/energy drift too large 4.77525032659885 17.3570393117425 split increased to 2 itime 560152 itsplit 1 acceleration/energy drift too large 4.52364989727569 25.7705556381578 split increased to 2 itime 560454 itsplit 1 acceleration/energy drift too large 3.82043543989368 32.6071138534380 split increased to 2 itime 560856 itsplit 1 acceleration/energy drift too large 7.07007806179116 34.6319487991988 split increased to 2 itime 560882 itsplit 1 acceleration/energy drift too large 5.07201300847438 11.5321401734334 split increased to 2 itime 560972 itsplit 1 acceleration/energy drift too large 9.41746917352430 42.4261388221302 split increased to 2 itime 561044 itsplit 1 acceleration/energy drift too large 2.45719993108579 18.2177606644448 split increased to 2 itime 561045 itsplit 1 acceleration/energy drift too large 4.11245820046070 15.0806991924647 split increased to 2 itime 562198 itsplit 1 acceleration/energy drift too large 4.38648055271156 17.9415976419972 split increased to 2 itime 562861 itsplit 1 acceleration/energy drift too large 4.56956996152755 12.8363047721838 split increased to 2 itime 563277 itsplit 1 acceleration/energy drift too large 5.68343818585799 13.7260979365542 split increased to 2 itime 563331 itsplit 1 acceleration/energy drift too large 4.53254443278119 16.2112364416784 split increased to 2 itime 564928 itsplit 1 acceleration/energy drift too large 4.65429783387595 19.7944729571123 split increased to 2 itime 565795 itsplit 1 acceleration/energy drift too large 5.39440195026612 28.4885176569247 split increased to 2 itime 566161 itsplit 1 acceleration/energy drift too large 10.6183688712963 43.2355563358334 split increased to 2 itime 566444 itsplit 1 acceleration/energy drift too large 5.08037841573996 13.3624995456930 split increased to 2 itime 567423 itsplit 1 acceleration/energy drift too large 3.45423612561341 23.1607365253115 split increased to 2 itime 567900 itsplit 1 acceleration/energy drift too large 3.67477965825423 16.4053479040359 split increased to 2 itime 567961 itsplit 1 acceleration/energy drift too large 6.92070055837482 13.1209837779539 split increased to 2 itime 568164 itsplit 1 acceleration/energy drift too large 1.99306230078888 11.1972243208649 split increased to 2 itime 568857 itsplit 1 acceleration/energy drift too large 2.60812848850784 11.0977367348434 split increased to 2 itime 569587 itsplit 1 Velocities reset to random values, time 113999.80 acceleration/energy drift too large 6.28172894596124 11.2712082102487 split increased to 2 itime 570005 itsplit 1 acceleration/energy drift too large 4.13233596187048 19.1027698226643 split increased to 2 itime 572060 itsplit 1 acceleration/energy drift too large 5.07142743836596 10.0105242034786 split increased to 2 itime 576537 itsplit 1 acceleration/energy drift too large 4.78234998724306 28.3637842214095 split increased to 2 itime 576766 itsplit 1 acceleration/energy drift too large 7.85647226617631 33.9096284304355 split increased to 2 itime 577827 itsplit 1 acceleration/energy drift too large 12.1547666968091 61.5552743439312 split increased to 2 itime 578165 itsplit 1 acceleration/energy drift too large 5.60545467241018 12.8911474229217 split increased to 2 itime 578294 itsplit 1 acceleration/energy drift too large 5.28724211735095 15.0235032714999 split increased to 2 itime 579476 itsplit 1 Velocities reset to random values, time 115999.80 acceleration/energy drift too large 4.92922965632018 11.8603665701726 split increased to 2 itime 580181 itsplit 1 acceleration/energy drift too large 4.46550576324055 21.4281685054746 split increased to 2 itime 580330 itsplit 1 acceleration/energy drift too large 9.76432722024679 41.8692898231217 split increased to 2 itime 583975 itsplit 1 acceleration/energy drift too large 6.13619205016591 23.5295855051616 split increased to 2 itime 584053 itsplit 1 acceleration/energy drift too large 5.18273644482176 10.5043036926326 split increased to 2 itime 584058 itsplit 1 acceleration/energy drift too large 5.93598969960208 27.4274710032168 split increased to 2 itime 584505 itsplit 1 acceleration/energy drift too large 5.53944690650803 23.2831330385874 split increased to 2 itime 585031 itsplit 1 acceleration/energy drift too large 4.93526147090713 28.6609024456121 split increased to 2 itime 585720 itsplit 1 acceleration/energy drift too large 7.49020620161100 11.1566603817866 split increased to 2 itime 586060 itsplit 1 acceleration/energy drift too large 8.51949685575566 23.9195135922850 split increased to 2 itime 586207 itsplit 1 acceleration/energy drift too large 6.72631274834742 18.0245772265330 split increased to 2 itime 586255 itsplit 1 acceleration/energy drift too large 10.9772059466190 52.3850210891664 split increased to 2 itime 586271 itsplit 1 acceleration/energy drift too large 3.48170788648421 21.2732599466495 split increased to 2 itime 588402 itsplit 1 acceleration/energy drift too large 4.66058414765870 25.6568673378139 split increased to 2 itime 589444 itsplit 1 acceleration/energy drift too large 5.89327729894395 12.2381292016813 split increased to 2 itime 589560 itsplit 1 Velocities reset to random values, time 117999.80 acceleration/energy drift too large 3.00030800947840 18.9623731678106 split increased to 2 itime 591034 itsplit 1 acceleration/energy drift too large 4.70606209721646 15.4517098276840 split increased to 2 itime 591331 itsplit 1 acceleration/energy drift too large 3.27422476910192 12.9785460637501 split increased to 2 itime 591332 itsplit 1 acceleration/energy drift too large 5.31096362913954 11.8983323477478 split increased to 2 itime 591978 itsplit 1 acceleration/energy drift too large 4.80816018632338 22.8806385435214 split increased to 2 itime 593075 itsplit 1 acceleration/energy drift too large 4.94943194016466 28.8570977704755 split increased to 2 itime 598368 itsplit 1 acceleration/energy drift too large 4.84183126113497 25.7807680143686 split increased to 2 itime 598458 itsplit 1 acceleration/energy drift too large 7.74343932153576 24.0554717752143 split increased to 2 itime 599415 itsplit 1 acceleration/energy drift too large 5.97341098091524 48.7993556690080 split increased to 2 itime 599443 itsplit 1 acceleration/energy drift too large 1.37476309967977 10.2693332351367 split increased to 4 itime 599443 itsplit 2 Velocities reset to random values, time 119999.80 REMD synchro at 600000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 248.367187500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.41667 12 ACC 2 260.00000 0.16667 12 ACC 3 270.00000 0.66667 12 ACC 4 280.00000 0.75000 12 ACC 5 290.00000 0.66667 12 ACC 6 300.00000 0.83333 12 ACC 7 310.00000 0.66667 12 ACC 8 320.00000 0.50000 12 ACC 9 330.00000 0.75000 12 ACC 10 340.00000 0.58333 12 ACC 11 350.00000 0.83333 12 ACC 12 360.00000 0.83333 12 ACC 13 370.00000 0.66667 12 ACC 14 380.00000 1.00000 12 ACC 15 390.00000 0.91667 12 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 6.25754695601952 16.0138492056977 split increased to 2 itime 600975 itsplit 1 acceleration/energy drift too large 3.25174991181445 12.0550990148146 split increased to 2 itime 600992 itsplit 1 acceleration/energy drift too large 12.3319863554273 71.6417017996117 split increased to 2 itime 601216 itsplit 1 acceleration/energy drift too large 6.25151631607253 21.8765548204327 split increased to 2 itime 602298 itsplit 1 acceleration/energy drift too large 8.63609835663977 36.3026138271237 split increased to 2 itime 603041 itsplit 1 acceleration/energy drift too large 8.60251448226929 34.3979732941485 split increased to 2 itime 603163 itsplit 1 acceleration/energy drift too large 4.95134287218677 14.7499243340670 split increased to 2 itime 604436 itsplit 1 acceleration/energy drift too large 2.28267096421602 13.7541501907709 split increased to 2 itime 604998 itsplit 1 acceleration/energy drift too large 7.83944263263716 28.0577344302289 split increased to 2 itime 605000 itsplit 1 acceleration/energy drift too large 6.62004344972939 50.7128989712119 split increased to 2 itime 605202 itsplit 1 acceleration/energy drift too large 1.66239150994189 12.2246505708942 split increased to 4 itime 605202 itsplit 2 acceleration/energy drift too large 4.46922322511910 26.4172622085791 split increased to 2 itime 605903 itsplit 1 acceleration/energy drift too large 3.56815604225865 34.7819824336585 split increased to 2 itime 605907 itsplit 1 acceleration/energy drift too large 4.34038675391365 22.9625423136930 split increased to 2 itime 605908 itsplit 1 acceleration/energy drift too large 5.12439612206967 12.8560558237277 split increased to 2 itime 605983 itsplit 1 acceleration/energy drift too large 10.2070435174598 53.0745108984771 split increased to 2 itime 606191 itsplit 1 acceleration/energy drift too large 2.49345997190288 12.9109411539299 split increased to 4 itime 606191 itsplit 2 acceleration/energy drift too large 3.57573247638144 13.3291307634903 split increased to 2 itime 606440 itsplit 1 acceleration/energy drift too large 4.25532031284735 11.7143305137870 split increased to 2 itime 607540 itsplit 1 acceleration/energy drift too large 4.76461993962858 28.5691397689605 split increased to 2 itime 607562 itsplit 1 acceleration/energy drift too large 3.85460790591855 16.2444585238539 split increased to 2 itime 607590 itsplit 1 acceleration/energy drift too large 3.64765651925315 10.7113929610203 split increased to 2 itime 607755 itsplit 1 acceleration/energy drift too large 6.21296939623000 30.0296721727243 split increased to 2 itime 608048 itsplit 1 acceleration/energy drift too large 2.48037796460787 11.7610928969634 split increased to 2 itime 608086 itsplit 1 acceleration/energy drift too large 2.78709775318731 10.4327571196836 split increased to 2 itime 608221 itsplit 1 acceleration/energy drift too large 4.28793301306952 13.2853518882747 split increased to 2 itime 608480 itsplit 1 acceleration/energy drift too large 7.34175924172900 23.8992907548958 split increased to 2 itime 609591 itsplit 1 acceleration/energy drift too large 2.35604254849620 13.6989367907869 split increased to 2 itime 609804 itsplit 1 Velocities reset to random values, time 121999.80 acceleration/energy drift too large 2.23073242682005 13.2884722954553 split increased to 2 itime 610143 itsplit 1 acceleration/energy drift too large 4.60247782431103 15.1902279665381 split increased to 2 itime 611002 itsplit 1 acceleration/energy drift too large 1.89120048049976 12.6818570236140 split increased to 2 itime 611003 itsplit 1 acceleration/energy drift too large 3.73325672849185 22.3064888639184 split increased to 2 itime 611807 itsplit 1 acceleration/energy drift too large 8.35585347043471 34.7076259246126 split increased to 2 itime 612000 itsplit 1 acceleration/energy drift too large 1.38971879403589 11.7651402071369 split increased to 2 itime 612001 itsplit 1 acceleration/energy drift too large 2.78978626180830 19.3385754660593 split increased to 2 itime 612857 itsplit 1 acceleration/energy drift too large 10.5728475675563 54.8655375689583 split increased to 2 itime 613125 itsplit 1 acceleration/energy drift too large 5.78335799316959 15.2599184361043 split increased to 2 itime 613661 itsplit 1 acceleration/energy drift too large 6.81465661008858 17.2129199407860 split increased to 2 itime 614402 itsplit 1 acceleration/energy drift too large 6.45535852359543 12.4561185889454 split increased to 2 itime 614448 itsplit 1 acceleration/energy drift too large 4.29347696641623 12.6176394806597 split increased to 2 itime 614525 itsplit 1 acceleration/energy drift too large 5.85673512317867 12.3331535839340 split increased to 2 itime 615027 itsplit 1 acceleration/energy drift too large 9.37493821680777 18.2143744448797 split increased to 2 itime 615028 itsplit 1 acceleration/energy drift too large 10.3102338783809 53.7544533773782 split increased to 2 itime 615037 itsplit 1 acceleration/energy drift too large 9.16679508179453 39.2153933201181 split increased to 2 itime 615795 itsplit 1 acceleration/energy drift too large 3.78382215052233 31.9648666740243 split increased to 2 itime 616217 itsplit 1 acceleration/energy drift too large 15.4752934626938 69.3784821315056 split increased to 2 itime 617539 itsplit 1 acceleration/energy drift too large 3.16679187772658 10.8469354081524 split increased to 2 itime 617795 itsplit 1 acceleration/energy drift too large 4.26131033939983 19.5691117336311 split increased to 2 itime 617938 itsplit 1 acceleration/energy drift too large 6.27560260663197 10.5131592949516 split increased to 2 itime 618323 itsplit 1 acceleration/energy drift too large 5.74578890944388 22.3583387751031 split increased to 2 itime 618521 itsplit 1 acceleration/energy drift too large 7.00726666413875 24.1058400897520 split increased to 2 itime 618596 itsplit 1 acceleration/energy drift too large 17.7138168462027 101.247922258645 split increased to 2 itime 618668 itsplit 1 acceleration/energy drift too large 4.55320871021421 26.9304761145780 split increased to 4 itime 618668 itsplit 2 acceleration/energy drift too large 3.61468688004105 12.2901039955406 split increased to 2 itime 619019 itsplit 1 acceleration/energy drift too large 11.8535324647124 67.9230414874380 split increased to 2 itime 619052 itsplit 1 acceleration/energy drift too large 2.82890558233372 16.0632128021099 split increased to 4 itime 619052 itsplit 2 acceleration/energy drift too large 5.24726174362651 19.3357497549723 split increased to 2 itime 619445 itsplit 1 acceleration/energy drift too large 7.40759773403780 16.1497113697539 split increased to 2 itime 619940 itsplit 1 Velocities reset to random values, time 123999.80 acceleration/energy drift too large 4.61281068663170 13.3610025264939 split increased to 2 itime 620002 itsplit 1 acceleration/energy drift too large 7.34373576827458 14.8394865742088 split increased to 2 itime 620586 itsplit 1 acceleration/energy drift too large 2.71735752984788 25.0945308135358 split increased to 2 itime 621783 itsplit 1 acceleration/energy drift too large 2.58777998840925 11.4619099291705 split increased to 2 itime 622120 itsplit 1 acceleration/energy drift too large 6.55602809534122 34.2219751637132 split increased to 2 itime 622167 itsplit 1 acceleration/energy drift too large 5.04860873994601 16.8609309840067 split increased to 2 itime 623443 itsplit 1 acceleration/energy drift too large 10.0064370227291 45.2458059724488 split increased to 2 itime 623680 itsplit 1 acceleration/energy drift too large 2.15901251155502 10.6571525717496 split increased to 2 itime 623791 itsplit 1 acceleration/energy drift too large 4.27762630948463 14.5709551524407 split increased to 2 itime 623793 itsplit 1 acceleration/energy drift too large 4.58889291725837 14.2957309506940 split increased to 2 itime 623970 itsplit 1 acceleration/energy drift too large 5.26103380848589 10.6162014271031 split increased to 2 itime 624188 itsplit 1 acceleration/energy drift too large 2.92413424083488 14.6043235682637 split increased to 2 itime 625715 itsplit 1 acceleration/energy drift too large 5.05806167116464 18.2217928754235 split increased to 2 itime 625990 itsplit 1 acceleration/energy drift too large 4.98250238317497 11.7229564869578 split increased to 2 itime 626303 itsplit 1 acceleration/energy drift too large 4.74658966537367 10.9677800534330 split increased to 2 itime 627881 itsplit 1 acceleration/energy drift too large 8.68585246123989 22.4625026217366 split increased to 2 itime 628038 itsplit 1 acceleration/energy drift too large 6.13159924740396 15.5249058036236 split increased to 2 itime 628482 itsplit 1 acceleration/energy drift too large 15.5992483537993 77.7324895343476 split increased to 2 itime 628669 itsplit 1 acceleration/energy drift too large 8.26938046478706 31.0927882180708 split increased to 2 itime 628767 itsplit 1 acceleration/energy drift too large 4.50418472045375 23.4801428375969 split increased to 2 itime 629607 itsplit 1 acceleration/energy drift too large 3.41999600473549 13.7792186998930 split increased to 2 itime 629715 itsplit 1 Velocities reset to random values, time 125999.80 acceleration/energy drift too large 5.03449400802504 28.7422167096999 split increased to 2 itime 631056 itsplit 1 acceleration/energy drift too large 5.57155139157944 21.9129303963323 split increased to 2 itime 631893 itsplit 1 acceleration/energy drift too large 4.39099602346958 12.2343994016366 split increased to 2 itime 632023 itsplit 1 acceleration/energy drift too large 12.4693925353863 63.6582093229182 split increased to 2 itime 632121 itsplit 1 acceleration/energy drift too large 4.67203082448706 14.2071918329760 split increased to 2 itime 632191 itsplit 1 acceleration/energy drift too large 4.59910855946983 21.0772021116032 split increased to 2 itime 632375 itsplit 1 acceleration/energy drift too large 3.22145382098193 17.7117307941751 split increased to 2 itime 632509 itsplit 1 acceleration/energy drift too large 3.08755073441423 12.7826819184458 split increased to 2 itime 633356 itsplit 1 acceleration/energy drift too large 6.66042233571607 26.2620896744813 split increased to 2 itime 633626 itsplit 1 acceleration/energy drift too large 3.97185444107807 23.6478393886705 split increased to 2 itime 633903 itsplit 1 acceleration/energy drift too large 5.77241667580570 17.1748855819711 split increased to 2 itime 633949 itsplit 1 acceleration/energy drift too large 4.64482397370444 19.8304872303560 split increased to 2 itime 634704 itsplit 1 acceleration/energy drift too large 3.68931892751294 12.0639327743879 split increased to 2 itime 634809 itsplit 1 acceleration/energy drift too large 14.6035450979379 77.5595625943338 split increased to 2 itime 634956 itsplit 1 acceleration/energy drift too large 2.76654006098027 12.2562888872987 split increased to 4 itime 634956 itsplit 2 acceleration/energy drift too large 10.4973631985309 50.4338624550633 split increased to 2 itime 635596 itsplit 1 acceleration/energy drift too large 2.65927462498442 13.2725300250988 split increased to 4 itime 635596 itsplit 2 acceleration/energy drift too large 16.9345762685632 80.3946911566731 split increased to 2 itime 636196 itsplit 1 acceleration/energy drift too large 3.52277443468522 14.5400653761354 split increased to 4 itime 636196 itsplit 2 acceleration/energy drift too large 9.47748468759106 40.4111345876325 split increased to 2 itime 636822 itsplit 1 acceleration/energy drift too large 2.39681730586056 10.2977279545475 split increased to 4 itime 636822 itsplit 2 acceleration/energy drift too large 6.03028562793473 31.2746718014368 split increased to 2 itime 636975 itsplit 1 acceleration/energy drift too large 3.40481718430390 22.8278404282965 split increased to 2 itime 638790 itsplit 1 acceleration/energy drift too large 6.73002467562677 11.9141295367997 split increased to 2 itime 638987 itsplit 1 Velocities reset to random values, time 127999.80 acceleration/energy drift too large 3.98175252438783 10.2917524815949 split increased to 2 itime 640019 itsplit 1 acceleration/energy drift too large 6.79757148910487 13.8348662532623 split increased to 2 itime 640231 itsplit 1 acceleration/energy drift too large 8.00915343075990 22.0738465078218 split increased to 2 itime 640277 itsplit 1 acceleration/energy drift too large 3.91266132812530 11.9369064925071 split increased to 2 itime 640296 itsplit 1 acceleration/energy drift too large 3.22851326933295 10.3607228423339 split increased to 2 itime 640300 itsplit 1 acceleration/energy drift too large 5.73429033103735 12.4491087336185 split increased to 2 itime 640471 itsplit 1 acceleration/energy drift too large 6.11086242511048 24.9213039169619 split increased to 2 itime 640631 itsplit 1 acceleration/energy drift too large 7.22598447497305 16.5604493187080 split increased to 2 itime 640681 itsplit 1 acceleration/energy drift too large 14.1894928413524 62.7618145737475 split increased to 2 itime 640962 itsplit 1 acceleration/energy drift too large 3.62329406771329 16.0700551189854 split increased to 4 itime 640962 itsplit 2 acceleration/energy drift too large 3.42122869387669 11.2231233514544 split increased to 2 itime 641041 itsplit 1 acceleration/energy drift too large 3.00276085415953 21.1159239383801 split increased to 2 itime 641353 itsplit 1 acceleration/energy drift too large 2.99971789979545 13.2195348311053 split increased to 2 itime 641357 itsplit 1 acceleration/energy drift too large 6.24077546962863 25.1056089413894 split increased to 2 itime 642481 itsplit 1 acceleration/energy drift too large 3.67728639548230 16.7744147609823 split increased to 2 itime 642633 itsplit 1 acceleration/energy drift too large 4.37370556165024 10.4741172758471 split increased to 2 itime 642644 itsplit 1 acceleration/energy drift too large 1.55725923554902 13.6925817338256 split increased to 2 itime 643488 itsplit 1 acceleration/energy drift too large 2.86169899824971 12.2327401660200 split increased to 2 itime 643586 itsplit 1 acceleration/energy drift too large 11.3785494097924 60.0756999535705 split increased to 2 itime 645678 itsplit 1 acceleration/energy drift too large 2.49108326243160 12.1734851098433 split increased to 4 itime 645678 itsplit 2 acceleration/energy drift too large 4.74749423461805 12.8307181304668 split increased to 2 itime 647087 itsplit 1 acceleration/energy drift too large 5.58180536363731 16.6679035142346 split increased to 2 itime 647593 itsplit 1 acceleration/energy drift too large 17.1724466865508 113.567449114696 split increased to 2 itime 649068 itsplit 1 acceleration/energy drift too large 2.91463226374264 18.8877731971016 split increased to 4 itime 649068 itsplit 1 acceleration/energy drift too large 9.73044598716956 53.6852826646586 split increased to 2 itime 649667 itsplit 1 acceleration/energy drift too large 5.99619247055488 23.7624336633405 split increased to 2 itime 649999 itsplit 1 Velocities reset to random values, time 129999.80 acceleration/energy drift too large 4.62535878963817 27.4696798603177 split increased to 2 itime 650344 itsplit 1 acceleration/energy drift too large 3.73293135178210 27.5178361182993 split increased to 2 itime 650978 itsplit 1 acceleration/energy drift too large 5.34322696411000 32.4767098829050 split increased to 2 itime 652742 itsplit 1 acceleration/energy drift too large 3.12061448278396 20.1713319381800 split increased to 2 itime 656414 itsplit 1 acceleration/energy drift too large 10.4783122146943 48.9719079925684 split increased to 2 itime 657555 itsplit 1 acceleration/energy drift too large 2.41371230094004 14.5809220120447 split increased to 2 itime 659872 itsplit 1 Velocities reset to random values, time 131999.80 acceleration/energy drift too large 4.78850153589871 13.0931366521131 split increased to 2 itime 660723 itsplit 1 acceleration/energy drift too large 9.66072181704057 44.7055256230949 split increased to 2 itime 660909 itsplit 1 acceleration/energy drift too large 6.28298310165240 25.8316018068304 split increased to 2 itime 662105 itsplit 1 acceleration/energy drift too large 4.61032849705654 22.0150139035228 split increased to 2 itime 663230 itsplit 1 acceleration/energy drift too large 6.00982697522521 16.7808143561205 split increased to 2 itime 665126 itsplit 1 acceleration/energy drift too large 4.29761659187874 13.8389430916353 split increased to 2 itime 665427 itsplit 1 acceleration/energy drift too large 4.49294367021075 10.0015674199440 split increased to 2 itime 665478 itsplit 1 acceleration/energy drift too large 3.82219634840162 10.4916655336026 split increased to 2 itime 668130 itsplit 1 acceleration/energy drift too large 5.96094732042994 17.7703967803927 split increased to 2 itime 668261 itsplit 1 acceleration/energy drift too large 4.89829468611348 12.0538031415534 split increased to 2 itime 668336 itsplit 1 acceleration/energy drift too large 12.1335050769766 64.3482700132136 split increased to 2 itime 668445 itsplit 1 acceleration/energy drift too large 4.02320339839840 14.8937021816675 split increased to 2 itime 669040 itsplit 1 acceleration/energy drift too large 4.37223349949132 17.1658710500645 split increased to 2 itime 669860 itsplit 1 Velocities reset to random values, time 133999.80 acceleration/energy drift too large 4.39898780391572 19.4765180536983 split increased to 2 itime 670481 itsplit 1 acceleration/energy drift too large 4.04788139707366 10.6701854910575 split increased to 2 itime 674226 itsplit 1 acceleration/energy drift too large 4.24798732802235 25.6638290593318 split increased to 2 itime 674771 itsplit 1 acceleration/energy drift too large 4.32785464484765 13.3743245923795 split increased to 2 itime 675004 itsplit 1 acceleration/energy drift too large 6.01749921922012 31.1557172474781 split increased to 2 itime 675048 itsplit 1 acceleration/energy drift too large 5.07111953847073 21.4290652104006 split increased to 2 itime 675391 itsplit 1 acceleration/energy drift too large 5.12391341884474 10.2864342656937 split increased to 2 itime 675607 itsplit 1 acceleration/energy drift too large 5.50944853554163 31.2879529447634 split increased to 2 itime 676330 itsplit 1 acceleration/energy drift too large 6.48040329681869 32.8386781768475 split increased to 2 itime 676420 itsplit 1 acceleration/energy drift too large 3.10262433842975 10.6509109753339 split increased to 2 itime 676898 itsplit 1 acceleration/energy drift too large 10.8623951163489 69.5898491294610 split increased to 2 itime 678300 itsplit 1 acceleration/energy drift too large 2.52441412857642 12.9910731840389 split increased to 4 itime 678300 itsplit 1 acceleration/energy drift too large 6.52804814000305 41.9147165499755 split increased to 2 itime 679552 itsplit 1 acceleration/energy drift too large 5.40281236555388 19.2514326680344 split increased to 2 itime 679567 itsplit 1 acceleration/energy drift too large 7.44131593506286 41.6093859695981 split increased to 2 itime 679651 itsplit 1 acceleration/energy drift too large 5.90304691180671 32.8391081927771 split increased to 2 itime 679674 itsplit 1 acceleration/energy drift too large 6.71109743673371 31.1593000749481 split increased to 2 itime 679676 itsplit 1 acceleration/energy drift too large 2.73450640564816 12.8698419784926 split increased to 4 itime 679676 itsplit 1 acceleration/energy drift too large 8.32782148441198 19.4817813475231 split increased to 2 itime 679885 itsplit 1 Velocities reset to random values, time 135999.80 acceleration/energy drift too large 3.83668976079277 19.2109693149152 split increased to 2 itime 680329 itsplit 1 acceleration/energy drift too large 5.88609447897641 12.0648264981557 split increased to 2 itime 681431 itsplit 1 acceleration/energy drift too large 5.86053054257781 33.8877650497518 split increased to 2 itime 681719 itsplit 1 acceleration/energy drift too large 6.52500619191552 20.7599067078987 split increased to 2 itime 682815 itsplit 1 acceleration/energy drift too large 3.04880828463340 13.7398773015852 split increased to 2 itime 683020 itsplit 1 acceleration/energy drift too large 6.69369321616485 13.9990975724032 split increased to 2 itime 683283 itsplit 1 acceleration/energy drift too large 5.23618767133098 12.9703143621347 split increased to 2 itime 683312 itsplit 1 acceleration/energy drift too large 3.47848308236124 10.8920710917359 split increased to 2 itime 683420 itsplit 1 acceleration/energy drift too large 5.77425574531984 15.9321698489354 split increased to 2 itime 685001 itsplit 1 acceleration/energy drift too large 4.78576434663960 18.9848114224845 split increased to 2 itime 685486 itsplit 1 acceleration/energy drift too large 8.95051829270475 26.0985813353001 split increased to 2 itime 686410 itsplit 1 acceleration/energy drift too large 5.27035803402023 13.8537643596133 split increased to 2 itime 686850 itsplit 1 acceleration/energy drift too large 1.88185288139653 10.4752137226399 split increased to 2 itime 686982 itsplit 1 acceleration/energy drift too large 11.9606352779224 57.7497909705213 split increased to 2 itime 687931 itsplit 1 acceleration/energy drift too large 2.83487525808160 18.4142484922531 split increased to 4 itime 687931 itsplit 1 acceleration/energy drift too large 1.92726508569327 14.2430931373822 split increased to 2 itime 688754 itsplit 1 Velocities reset to random values, time 137999.80 acceleration/energy drift too large 2.56681668890711 21.4948796680863 split increased to 2 itime 690006 itsplit 1 acceleration/energy drift too large 5.99179532566691 26.7553438186719 split increased to 2 itime 690211 itsplit 1 acceleration/energy drift too large 3.77067773605480 30.2275892304465 split increased to 2 itime 691436 itsplit 1 acceleration/energy drift too large 4.27292919771583 10.4478680604994 split increased to 2 itime 692106 itsplit 1 acceleration/energy drift too large 5.03333260400241 10.0274498767210 split increased to 2 itime 692207 itsplit 1 acceleration/energy drift too large 3.20278003715589 11.5202100793791 split increased to 2 itime 692465 itsplit 1 acceleration/energy drift too large 5.40751042129251 17.7742270714383 split increased to 2 itime 692791 itsplit 1 acceleration/energy drift too large 4.94308070782740 29.5717274262642 split increased to 2 itime 692896 itsplit 1 acceleration/energy drift too large 3.87741995325826 13.6294726409417 split increased to 2 itime 693298 itsplit 1 acceleration/energy drift too large 7.98258418567227 29.1179350889020 split increased to 2 itime 693612 itsplit 1 acceleration/energy drift too large 2.36914242216512 19.5036457789073 split increased to 2 itime 693685 itsplit 1 acceleration/energy drift too large 5.69669794276481 40.6102684986143 split increased to 2 itime 694057 itsplit 1 acceleration/energy drift too large 5.29315047918184 19.3889190534506 split increased to 2 itime 694116 itsplit 1 acceleration/energy drift too large 3.52756650183848 16.7841416036274 split increased to 2 itime 694125 itsplit 1 acceleration/energy drift too large 3.67691171695912 21.5675516107547 split increased to 2 itime 695307 itsplit 1 acceleration/energy drift too large 10.8443086473719 56.1597685559824 split increased to 2 itime 695756 itsplit 1 acceleration/energy drift too large 6.94299291214412 14.0161820417590 split increased to 2 itime 695932 itsplit 1 acceleration/energy drift too large 5.19062647677710 12.6170613958460 split increased to 2 itime 696519 itsplit 1 acceleration/energy drift too large 6.09415057912963 16.5106176715828 split increased to 2 itime 696932 itsplit 1 acceleration/energy drift too large 3.05986622896694 11.3104934820040 split increased to 2 itime 697046 itsplit 1 acceleration/energy drift too large 8.54028904963511 46.4148481767631 split increased to 2 itime 697320 itsplit 1 acceleration/energy drift too large 5.69987716389526 31.7005497307753 split increased to 2 itime 699002 itsplit 1 acceleration/energy drift too large 6.46115438065238 13.6621065528287 split increased to 2 itime 699205 itsplit 1 Velocities reset to random values, time 139999.80 REMD synchro at 700000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 289.394531250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.42857 14 ACC 2 260.00000 0.28571 14 ACC 3 270.00000 0.64286 14 ACC 4 280.00000 0.64286 14 ACC 5 290.00000 0.71429 14 ACC 6 300.00000 0.78571 14 ACC 7 310.00000 0.71429 14 ACC 8 320.00000 0.57143 14 ACC 9 330.00000 0.71429 14 ACC 10 340.00000 0.64286 14 ACC 11 350.00000 0.78571 14 ACC 12 360.00000 0.85714 14 ACC 13 370.00000 0.71429 14 ACC 14 380.00000 1.00000 14 ACC 15 390.00000 0.92857 14 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 8.11720449887750 35.9480100658249 split increased to 2 itime 700837 itsplit 1 acceleration/energy drift too large 5.20286849453995 12.8545924301821 split increased to 2 itime 700972 itsplit 1 acceleration/energy drift too large 3.65116170912629 14.3466085630485 split increased to 2 itime 701242 itsplit 1 acceleration/energy drift too large 2.91870628148037 11.4368301937584 split increased to 2 itime 701344 itsplit 1 acceleration/energy drift too large 3.80146513655856 23.4488948333596 split increased to 2 itime 702310 itsplit 1 acceleration/energy drift too large 6.13751273749208 14.3244520265397 split increased to 2 itime 702326 itsplit 1 acceleration/energy drift too large 3.03443628466139 18.3422873181726 split increased to 2 itime 703114 itsplit 1 acceleration/energy drift too large 3.44391616236463 18.5905922480110 split increased to 2 itime 703490 itsplit 1 acceleration/energy drift too large 4.85689491137434 10.4491899217320 split increased to 2 itime 703885 itsplit 1 acceleration/energy drift too large 2.57350219389582 10.3015361013323 split increased to 2 itime 704065 itsplit 1 acceleration/energy drift too large 8.97585198007661 41.1269172966464 split increased to 2 itime 704832 itsplit 1 acceleration/energy drift too large 6.72849882921725 16.4846300918076 split increased to 2 itime 707001 itsplit 1 acceleration/energy drift too large 16.4469352140303 97.2940181309860 split increased to 2 itime 707127 itsplit 1 acceleration/energy drift too large 6.61555808148272 23.2879786306406 split increased to 2 itime 708229 itsplit 1 acceleration/energy drift too large 9.10617472573240 42.4662918953065 split increased to 2 itime 708329 itsplit 1 acceleration/energy drift too large 4.02172850170034 13.7115458243418 split increased to 2 itime 708521 itsplit 1 acceleration/energy drift too large 5.11370333388024 13.8433798174794 split increased to 2 itime 708774 itsplit 1 acceleration/energy drift too large 7.04000769985109 13.7544815544171 split increased to 2 itime 709858 itsplit 1 Velocities reset to random values, time 141999.80 acceleration/energy drift too large 5.41956251847003 11.8718423596905 split increased to 2 itime 710179 itsplit 1 acceleration/energy drift too large 4.81696801389753 26.3718841761635 split increased to 2 itime 710750 itsplit 1 acceleration/energy drift too large 5.38576592170803 28.6667942437354 split increased to 2 itime 710936 itsplit 1 acceleration/energy drift too large 6.61411892544192 30.0768132868370 split increased to 2 itime 711316 itsplit 1 acceleration/energy drift too large 5.58278496491360 31.9213860315535 split increased to 2 itime 713478 itsplit 1 acceleration/energy drift too large 2.31104493200979 13.7926843226157 split increased to 2 itime 715117 itsplit 1 acceleration/energy drift too large 12.4344436210483 69.9848558146578 split increased to 2 itime 715463 itsplit 1 acceleration/energy drift too large 5.90543797327927 10.5072962885552 split increased to 2 itime 715686 itsplit 1 acceleration/energy drift too large 6.42985738275233 27.5992434588681 split increased to 2 itime 715718 itsplit 1 acceleration/energy drift too large 4.65908160790281 28.1598205863369 split increased to 2 itime 716098 itsplit 1 acceleration/energy drift too large 2.23121348824216 13.1518524731892 split increased to 2 itime 716145 itsplit 1 acceleration/energy drift too large 5.56272107748309 13.8763371375724 split increased to 2 itime 716363 itsplit 1 acceleration/energy drift too large 2.98462205643197 17.8720134155159 split increased to 2 itime 716884 itsplit 1 acceleration/energy drift too large 3.33009756929900 10.2609663529504 split increased to 2 itime 717177 itsplit 1 acceleration/energy drift too large 5.57847995984232 11.5085069218216 split increased to 2 itime 717572 itsplit 1 acceleration/energy drift too large 4.67674970316485 12.8904797847084 split increased to 2 itime 717756 itsplit 1 acceleration/energy drift too large 3.29465335465414 14.1381280155952 split increased to 2 itime 719911 itsplit 1 Velocities reset to random values, time 143999.80 acceleration/energy drift too large 4.17876882041245 12.6188064936655 split increased to 2 itime 720634 itsplit 1 acceleration/energy drift too large 11.4380824747569 68.3078496706706 split increased to 2 itime 721232 itsplit 1 acceleration/energy drift too large 5.11039078682322 11.8668300255710 split increased to 2 itime 723487 itsplit 1 acceleration/energy drift too large 4.20128522536592 13.2073982530203 split increased to 2 itime 724395 itsplit 1 acceleration/energy drift too large 7.32910906097292 15.3965348106003 split increased to 2 itime 724995 itsplit 1 acceleration/energy drift too large 5.59800121191789 16.3143181601815 split increased to 2 itime 726181 itsplit 1 acceleration/energy drift too large 5.35721270345146 16.8490833272991 split increased to 2 itime 727235 itsplit 1 acceleration/energy drift too large 7.38290872145886 16.2037233603391 split increased to 2 itime 727292 itsplit 1 acceleration/energy drift too large 4.14860702237382 26.5630068950048 split increased to 4 itime 727292 itsplit 2 Velocities reset to random values, time 145999.80 acceleration/energy drift too large 2.93984517309579 16.6782394655914 split increased to 2 itime 730311 itsplit 1 acceleration/energy drift too large 2.87219861895303 19.2097047407069 split increased to 2 itime 731608 itsplit 1 acceleration/energy drift too large 4.58372514549138 11.5546377752536 split increased to 2 itime 732658 itsplit 1 acceleration/energy drift too large 6.12112685378053 18.0574184678024 split increased to 2 itime 732661 itsplit 1 acceleration/energy drift too large 4.63558059761805 16.0132457848208 split increased to 2 itime 733127 itsplit 1 acceleration/energy drift too large 4.95334629856386 11.7491351593690 split increased to 2 itime 733757 itsplit 1 acceleration/energy drift too large 7.13269906841022 27.3481393944862 split increased to 2 itime 733784 itsplit 1 acceleration/energy drift too large 5.34162759775089 10.3869080051152 split increased to 2 itime 733867 itsplit 1 acceleration/energy drift too large 8.02238040168975 12.2542596578837 split increased to 2 itime 735302 itsplit 1 acceleration/energy drift too large 9.12264549381156 19.6528535756718 split increased to 2 itime 735337 itsplit 1 acceleration/energy drift too large 5.02297643618615 25.3981467102304 split increased to 2 itime 736573 itsplit 1 acceleration/energy drift too large 2.88742437039917 10.7222733878431 split increased to 2 itime 736574 itsplit 1 acceleration/energy drift too large 4.97219204837219 12.3981382578386 split increased to 2 itime 737065 itsplit 1 acceleration/energy drift too large 3.72757055319022 10.1054772523544 split increased to 2 itime 737335 itsplit 1 acceleration/energy drift too large 2.81868967659850 11.2431565642037 split increased to 2 itime 737675 itsplit 1 acceleration/energy drift too large 6.50604436404839 16.6885463296399 split increased to 2 itime 738314 itsplit 1 acceleration/energy drift too large 8.70774623624325 18.2012777646865 split increased to 2 itime 738546 itsplit 1 acceleration/energy drift too large 2.47782988433004 10.0135387853222 split increased to 2 itime 738712 itsplit 1 acceleration/energy drift too large 9.65720027644816 24.6737706627431 split increased to 2 itime 739966 itsplit 1 Velocities reset to random values, time 147999.80 acceleration/energy drift too large 5.83490275310682 17.2734500308748 split increased to 2 itime 740293 itsplit 1 acceleration/energy drift too large 2.41967888178194 16.5005673295931 split increased to 2 itime 740294 itsplit 1 acceleration/energy drift too large 5.92684639184068 15.7753993440322 split increased to 2 itime 740501 itsplit 1 acceleration/energy drift too large 12.2378054799971 59.1222401237592 split increased to 2 itime 740859 itsplit 1 acceleration/energy drift too large 4.71147203452646 15.9378132209512 split increased to 2 itime 742086 itsplit 1 acceleration/energy drift too large 10.1241154141147 49.5651476664475 split increased to 2 itime 742230 itsplit 1 acceleration/energy drift too large 8.55238928648374 38.8082947300162 split increased to 2 itime 742508 itsplit 1 acceleration/energy drift too large 4.63291759153817 11.1657627033866 split increased to 2 itime 743021 itsplit 1 acceleration/energy drift too large 6.13868702936043 15.0285456202743 split increased to 2 itime 744307 itsplit 1 acceleration/energy drift too large 12.3268103576927 71.5848824410426 split increased to 2 itime 745411 itsplit 1 acceleration/energy drift too large 6.43333392431065 25.1487072571966 split increased to 2 itime 745503 itsplit 1 acceleration/energy drift too large 4.42890359526283 28.2654360317681 split increased to 2 itime 745910 itsplit 1 acceleration/energy drift too large 7.42291403604513 24.8953925887195 split increased to 2 itime 746575 itsplit 1 acceleration/energy drift too large 6.35426872326548 27.2522682659169 split increased to 2 itime 746750 itsplit 1 acceleration/energy drift too large 9.94254704370798 47.4011936929260 split increased to 2 itime 747315 itsplit 1 acceleration/energy drift too large 1.86492680196737 16.1965681695899 split increased to 2 itime 747316 itsplit 1 Velocities reset to random values, time 149999.80 acceleration/energy drift too large 9.18073560331282 40.8131448443545 split increased to 2 itime 750272 itsplit 1 acceleration/energy drift too large 8.02506036965276 27.3447807980334 split increased to 2 itime 750382 itsplit 1 acceleration/energy drift too large 5.60951223725942 35.9614690629819 split increased to 2 itime 750508 itsplit 1 acceleration/energy drift too large 4.95595725865051 17.4492818381553 split increased to 2 itime 751304 itsplit 1 acceleration/energy drift too large 3.73181631291966 10.4755639424838 split increased to 2 itime 752293 itsplit 1 acceleration/energy drift too large 6.90583579822753 24.6091661110682 split increased to 2 itime 752848 itsplit 1 acceleration/energy drift too large 5.24105425922398 11.9415380346706 split increased to 2 itime 753876 itsplit 1 acceleration/energy drift too large 8.52361774962486 32.4861818878236 split increased to 2 itime 754187 itsplit 1 acceleration/energy drift too large 2.73130154577056 18.1237370995500 split increased to 2 itime 755400 itsplit 1 acceleration/energy drift too large 6.70424968925215 16.4283046687343 split increased to 2 itime 755767 itsplit 1 acceleration/energy drift too large 3.33215995949377 16.4680278816705 split increased to 2 itime 756496 itsplit 1 acceleration/energy drift too large 5.33228968024792 17.3087721044395 split increased to 2 itime 757093 itsplit 1 acceleration/energy drift too large 6.14438587743912 38.1088809303817 split increased to 2 itime 757895 itsplit 1 acceleration/energy drift too large 4.50686292909664 20.9265187146252 split increased to 2 itime 757896 itsplit 1 acceleration/energy drift too large 4.75898405283910 24.3325506372013 split increased to 2 itime 757945 itsplit 1 acceleration/energy drift too large 4.13289930847467 15.3431473940614 split increased to 2 itime 759483 itsplit 1 acceleration/energy drift too large 4.61127655077977 17.4779517495459 split increased to 2 itime 759498 itsplit 1 acceleration/energy drift too large 8.71369381594099 49.7366412149935 split increased to 2 itime 759632 itsplit 1 Velocities reset to random values, time 151999.80 acceleration/energy drift too large 6.43580397827309 16.4233096795613 split increased to 2 itime 760152 itsplit 1 acceleration/energy drift too large 11.3122136603536 56.1496273279264 split increased to 2 itime 760332 itsplit 1 acceleration/energy drift too large 10.5746997896608 54.3289665205038 split increased to 2 itime 761220 itsplit 1 acceleration/energy drift too large 2.41838248175020 10.4293443716903 split increased to 4 itime 761220 itsplit 1 acceleration/energy drift too large 4.98992831216492 27.6345901284655 split increased to 2 itime 761240 itsplit 1 acceleration/energy drift too large 6.41191990956657 12.9059647831487 split increased to 2 itime 761412 itsplit 1 acceleration/energy drift too large 5.39856174090225 13.6998856578941 split increased to 2 itime 761745 itsplit 1 acceleration/energy drift too large 10.9372724975527 52.1245815935940 split increased to 2 itime 762041 itsplit 1 acceleration/energy drift too large 0.871225091661636 17.5098023455650 split increased to 2 itime 762042 itsplit 1 acceleration/energy drift too large 2.66028331637075 17.1256845723536 split increased to 2 itime 762933 itsplit 1 acceleration/energy drift too large 1.99596918528786 10.1375597393198 split increased to 2 itime 764429 itsplit 1 acceleration/energy drift too large 4.76122578243500 33.2316986484702 split increased to 2 itime 765387 itsplit 1 acceleration/energy drift too large 2.20348187658971 13.1574881122650 split increased to 2 itime 765565 itsplit 1 acceleration/energy drift too large 6.73122130913325 20.3494918023678 split increased to 2 itime 765762 itsplit 1 acceleration/energy drift too large 4.05257069096200 13.7211572297740 split increased to 2 itime 766130 itsplit 1 acceleration/energy drift too large 5.29862556826967 18.6732141953551 split increased to 2 itime 766149 itsplit 1 acceleration/energy drift too large 7.34969421196595 28.4653834893784 split increased to 2 itime 766196 itsplit 1 acceleration/energy drift too large 4.10560066737414 13.9493792661245 split increased to 2 itime 766322 itsplit 1 acceleration/energy drift too large 6.88546908694253 26.3549059304166 split increased to 2 itime 766694 itsplit 1 acceleration/energy drift too large 4.98283677444414 26.9657731682248 split increased to 2 itime 766871 itsplit 1 acceleration/energy drift too large 5.26777550871686 20.4828325361774 split increased to 2 itime 768135 itsplit 1 acceleration/energy drift too large 4.11280396191990 11.1876323328568 split increased to 2 itime 768926 itsplit 1 acceleration/energy drift too large 8.82345757363100 36.5298472303389 split increased to 2 itime 769591 itsplit 1 Velocities reset to random values, time 153999.80 acceleration/energy drift too large 11.1910424687684 40.7188092355586 split increased to 2 itime 770235 itsplit 1 acceleration/energy drift too large 10.5854544304928 25.9528329783793 split increased to 2 itime 770726 itsplit 1 acceleration/energy drift too large 4.69032627165788 11.5541667518256 split increased to 2 itime 770731 itsplit 1 acceleration/energy drift too large 4.80943699344173 23.1316211490282 split increased to 2 itime 771598 itsplit 1 acceleration/energy drift too large 2.17229198486053 13.6663633568850 split increased to 2 itime 772197 itsplit 1 acceleration/energy drift too large 7.76051794799924 29.0857784015039 split increased to 2 itime 774249 itsplit 1 acceleration/energy drift too large 3.20373989756117 18.6902964243555 split increased to 4 itime 774249 itsplit 1 acceleration/energy drift too large 3.79313504265284 11.8255465091502 split increased to 2 itime 774655 itsplit 1 acceleration/energy drift too large 7.91957039254655 22.6103948475217 split increased to 2 itime 774855 itsplit 1 acceleration/energy drift too large 9.35138659701622 40.1408374545245 split increased to 2 itime 774986 itsplit 1 acceleration/energy drift too large 4.10039017596775 12.0957930486731 split increased to 2 itime 775749 itsplit 1 acceleration/energy drift too large 4.40218727179321 15.4243037897106 split increased to 2 itime 776727 itsplit 1 acceleration/energy drift too large 6.20964998360838 13.9519295998203 split increased to 2 itime 776745 itsplit 1 acceleration/energy drift too large 8.14494633948772 31.1615276441521 split increased to 2 itime 776813 itsplit 1 acceleration/energy drift too large 6.80920668896092 18.1177734149848 split increased to 2 itime 777058 itsplit 1 acceleration/energy drift too large 3.42789236439444 10.5155884635245 split increased to 2 itime 779369 itsplit 1 acceleration/energy drift too large 5.32212115567097 13.4852111934292 split increased to 2 itime 779490 itsplit 1 Velocities reset to random values, time 155999.80 acceleration/energy drift too large 7.89059523579495 29.7824564856205 split increased to 2 itime 780514 itsplit 1 acceleration/energy drift too large 2.71836043120833 16.4688426410573 split increased to 2 itime 781975 itsplit 1 acceleration/energy drift too large 5.42582174827306 16.8035911065003 split increased to 2 itime 782225 itsplit 1 acceleration/energy drift too large 8.79604114949452 29.9117030853523 split increased to 2 itime 784403 itsplit 1 acceleration/energy drift too large 4.34478328475579 13.0516309207492 split increased to 2 itime 785038 itsplit 1 acceleration/energy drift too large 12.0267992958826 64.9158377959301 split increased to 2 itime 785502 itsplit 1 acceleration/energy drift too large 2.86927783949805 15.0302174377880 split increased to 4 itime 785502 itsplit 2 acceleration/energy drift too large 6.74416749588866 24.7782896947259 split increased to 2 itime 785868 itsplit 1 acceleration/energy drift too large 3.99836343483443 24.2067372343023 split increased to 2 itime 785966 itsplit 1 acceleration/energy drift too large 8.82858130530756 25.5700047616842 split increased to 2 itime 786111 itsplit 1 acceleration/energy drift too large 5.26427715361465 12.6662623681970 split increased to 2 itime 786136 itsplit 1 acceleration/energy drift too large 9.96173353016672 43.6827276596895 split increased to 2 itime 786329 itsplit 1 acceleration/energy drift too large 4.52902428315935 25.9415672960537 split increased to 2 itime 786588 itsplit 1 acceleration/energy drift too large 4.92084190225243 17.8031580601729 split increased to 2 itime 786765 itsplit 1 acceleration/energy drift too large 1.35539646830949 10.3713693132301 split increased to 2 itime 786881 itsplit 1 acceleration/energy drift too large 2.27825760356459 13.3588520840026 split increased to 2 itime 787466 itsplit 1 acceleration/energy drift too large 5.19137047009736 11.9724768790205 split increased to 2 itime 788231 itsplit 1 acceleration/energy drift too large 4.15474330978859 11.3954412117450 split increased to 2 itime 789090 itsplit 1 Velocities reset to random values, time 157999.80 acceleration/energy drift too large 2.07413870656877 10.0887247025908 split increased to 2 itime 790839 itsplit 1 acceleration/energy drift too large 7.03703398252484 20.9053438238816 split increased to 2 itime 791459 itsplit 1 acceleration/energy drift too large 3.34588286521393 15.5168908264045 split increased to 2 itime 792734 itsplit 1 acceleration/energy drift too large 5.12104252925255 28.0971337976728 split increased to 2 itime 792914 itsplit 1 acceleration/energy drift too large 3.86619542414277 12.7648498051125 split increased to 2 itime 793586 itsplit 1 acceleration/energy drift too large 4.55321589755684 11.3463573333294 split increased to 2 itime 793865 itsplit 1 acceleration/energy drift too large 5.71154648315159 16.3890263704544 split increased to 2 itime 794091 itsplit 1 acceleration/energy drift too large 4.10128754379293 11.1876083265659 split increased to 2 itime 794172 itsplit 1 acceleration/energy drift too large 5.10858270950534 10.3132624488177 split increased to 2 itime 794243 itsplit 1 acceleration/energy drift too large 4.09453632971990 12.0594182273070 split increased to 2 itime 794372 itsplit 1 acceleration/energy drift too large 10.4882739446551 55.2994676774204 split increased to 2 itime 794866 itsplit 1 acceleration/energy drift too large 3.14512498490513 18.4241954271156 split increased to 2 itime 796099 itsplit 1 acceleration/energy drift too large 7.67277000254915 22.4377690971799 split increased to 2 itime 796173 itsplit 1 acceleration/energy drift too large 5.90764020005741 14.3886987817941 split increased to 2 itime 796453 itsplit 1 acceleration/energy drift too large 2.36630146620928 13.2441099504989 split increased to 2 itime 796454 itsplit 1 acceleration/energy drift too large 5.75106229184658 14.6408888372617 split increased to 2 itime 796582 itsplit 1 acceleration/energy drift too large 4.89563322388087 16.2882302874806 split increased to 2 itime 796962 itsplit 1 acceleration/energy drift too large 4.39014934673668 18.8559177610733 split increased to 2 itime 797056 itsplit 1 acceleration/energy drift too large 6.45080488641976 15.9675085022738 split increased to 2 itime 797057 itsplit 1 acceleration/energy drift too large 8.70225101762707 29.8320767651172 split increased to 2 itime 797127 itsplit 1 acceleration/energy drift too large 4.77883556629849 12.6676495324686 split increased to 2 itime 797259 itsplit 1 acceleration/energy drift too large 3.97847034476097 17.9089733006466 split increased to 2 itime 797870 itsplit 1 acceleration/energy drift too large 13.9046206736496 82.0800534834106 split increased to 2 itime 799043 itsplit 1 Velocities reset to random values, time 159999.80 REMD synchro at 800000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 330.421875000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.37500 16 ACC 2 260.00000 0.31250 16 ACC 3 270.00000 0.62500 16 ACC 4 280.00000 0.68750 16 ACC 5 290.00000 0.75000 16 ACC 6 300.00000 0.75000 16 ACC 7 310.00000 0.75000 16 ACC 8 320.00000 0.56250 16 ACC 9 330.00000 0.75000 16 ACC 10 340.00000 0.56250 16 ACC 11 350.00000 0.75000 16 ACC 12 360.00000 0.87500 16 ACC 13 370.00000 0.75000 16 ACC 14 380.00000 1.00000 16 ACC 15 390.00000 0.87500 16 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 10.1858531917160 49.9919055433977 split increased to 2 itime 800546 itsplit 1 acceleration/energy drift too large 6.61474356672286 18.3511876009471 split increased to 2 itime 802527 itsplit 1 acceleration/energy drift too large 5.21083478084351 10.3681522438434 split increased to 2 itime 804118 itsplit 1 acceleration/energy drift too large 4.36692923036785 25.4941574775791 split increased to 2 itime 805344 itsplit 1 acceleration/energy drift too large 4.79987247340460 11.6800415168608 split increased to 2 itime 805409 itsplit 1 acceleration/energy drift too large 3.30152052270426 14.7276305437980 split increased to 2 itime 805757 itsplit 1 acceleration/energy drift too large 4.00801745839127 28.3955531769657 split increased to 2 itime 807191 itsplit 1 acceleration/energy drift too large 5.21173836606324 12.2168054952948 split increased to 2 itime 808236 itsplit 1 acceleration/energy drift too large 2.76797011334551 11.2865727348839 split increased to 2 itime 808237 itsplit 1 acceleration/energy drift too large 11.0079970507706 52.8200178425537 split increased to 2 itime 808820 itsplit 1 Velocities reset to random values, time 161999.80 acceleration/energy drift too large 3.35046415160692 10.4383116816673 split increased to 2 itime 811809 itsplit 1 acceleration/energy drift too large 4.55862164829432 12.5028868093941 split increased to 2 itime 812396 itsplit 1 acceleration/energy drift too large 6.27634706559778 35.6139263812836 split increased to 2 itime 812922 itsplit 1 acceleration/energy drift too large 3.83550076493065 11.6014717005044 split increased to 2 itime 812946 itsplit 1 acceleration/energy drift too large 4.61436679818368 23.1127673739172 split increased to 2 itime 813170 itsplit 1 acceleration/energy drift too large 6.39564402444074 40.2069995174404 split increased to 2 itime 814544 itsplit 1 acceleration/energy drift too large 4.10887449328207 10.8941575395608 split increased to 2 itime 815618 itsplit 1 acceleration/energy drift too large 11.7745541114932 72.0105161904506 split increased to 2 itime 815631 itsplit 1 acceleration/energy drift too large 2.28214975501604 11.8708049838113 split increased to 4 itime 815631 itsplit 2 acceleration/energy drift too large 4.75834098985964 28.5794833996746 split increased to 2 itime 815802 itsplit 1 acceleration/energy drift too large 6.44938426589426 26.3602793948603 split increased to 2 itime 816021 itsplit 1 acceleration/energy drift too large 3.72090282647722 11.1383410967662 split increased to 2 itime 816082 itsplit 1 acceleration/energy drift too large 4.80507441603727 12.2874470750706 split increased to 2 itime 816890 itsplit 1 acceleration/energy drift too large 5.59374898201894 14.1866285962887 split increased to 2 itime 817194 itsplit 1 acceleration/energy drift too large 4.29296785944024 10.3657773872582 split increased to 2 itime 817224 itsplit 1 acceleration/energy drift too large 3.84651600551193 12.7341021194992 split increased to 2 itime 818387 itsplit 1 acceleration/energy drift too large 2.22360495738591 14.0847637383396 split increased to 2 itime 818601 itsplit 1 acceleration/energy drift too large 5.16983473584117 11.2129225123064 split increased to 2 itime 818714 itsplit 1 Velocities reset to random values, time 163999.80 acceleration/energy drift too large 8.97951013222568 14.8450933627680 split increased to 2 itime 821347 itsplit 1 acceleration/energy drift too large 10.7281184582967 44.0727871101872 split increased to 2 itime 821714 itsplit 1 acceleration/energy drift too large 4.51341949115924 16.7004237366531 split increased to 2 itime 821890 itsplit 1 acceleration/energy drift too large 5.52141665366594 23.8090023103709 split increased to 2 itime 822026 itsplit 1 acceleration/energy drift too large 4.42315563535048 20.4081954978863 split increased to 2 itime 822360 itsplit 1 acceleration/energy drift too large 4.43118357066480 17.6242038569295 split increased to 2 itime 822949 itsplit 1 acceleration/energy drift too large 4.45232538918048 22.7001080092999 split increased to 2 itime 823754 itsplit 1 acceleration/energy drift too large 4.31179799890165 21.8605874214936 split increased to 2 itime 823963 itsplit 1 acceleration/energy drift too large 6.27097032162734 17.3929106261447 split increased to 2 itime 825274 itsplit 1 acceleration/energy drift too large 16.1231050188181 88.9445794602708 split increased to 2 itime 825453 itsplit 1 acceleration/energy drift too large 5.06534911294876 30.7306392610330 split increased to 2 itime 826381 itsplit 1 acceleration/energy drift too large 6.66773689953335 21.1417291266588 split increased to 2 itime 828759 itsplit 1 acceleration/energy drift too large 4.69846345548895 14.2850723594923 split increased to 2 itime 828897 itsplit 1 Velocities reset to random values, time 165999.80 acceleration/energy drift too large 9.10020872936095 36.8845664715708 split increased to 2 itime 833523 itsplit 1 acceleration/energy drift too large 2.10529538187782 10.3597285968010 split increased to 2 itime 834469 itsplit 1 acceleration/energy drift too large 5.10179818315932 21.0053173142724 split increased to 2 itime 835664 itsplit 1 acceleration/energy drift too large 4.10983826305805 24.6806120989868 split increased to 2 itime 835827 itsplit 1 acceleration/energy drift too large 5.15978255256110 18.4695534302812 split increased to 2 itime 835967 itsplit 1 acceleration/energy drift too large 5.80631599840364 25.3401051176140 split increased to 2 itime 836133 itsplit 1 acceleration/energy drift too large 3.76238538502701 10.6939381889576 split increased to 2 itime 836140 itsplit 1 acceleration/energy drift too large 4.71958085722966 15.9122227252988 split increased to 2 itime 839727 itsplit 1 Velocities reset to random values, time 167999.80 acceleration/energy drift too large 4.26927082160644 15.5471866777299 split increased to 2 itime 840317 itsplit 1 acceleration/energy drift too large 4.71791412322011 14.1516194197991 split increased to 2 itime 841422 itsplit 1 acceleration/energy drift too large 7.80259106109826 38.9559636911525 split increased to 2 itime 843256 itsplit 1 acceleration/energy drift too large 6.24246610723308 23.1909798726841 split increased to 2 itime 846051 itsplit 1 acceleration/energy drift too large 5.42152683843393 36.4638939198863 split increased to 2 itime 846945 itsplit 1 acceleration/energy drift too large 2.72470774264122 10.1781621424218 split increased to 2 itime 848328 itsplit 1 acceleration/energy drift too large 2.98628975273830 11.5252323082825 split increased to 2 itime 848535 itsplit 1 acceleration/energy drift too large 7.59765432138732 36.0831963586074 split increased to 2 itime 849072 itsplit 1 acceleration/energy drift too large 7.11045682808745 16.0713168218446 split increased to 2 itime 849123 itsplit 1 acceleration/energy drift too large 1.76251954056545 10.6930352230154 split increased to 2 itime 849364 itsplit 1 acceleration/energy drift too large 9.39581665933674 47.1173070435289 split increased to 2 itime 849466 itsplit 1 acceleration/energy drift too large 2.48090034179985 11.0370189796659 split increased to 4 itime 849466 itsplit 1 acceleration/energy drift too large 4.85368603575384 26.1364330278783 split increased to 2 itime 849606 itsplit 1 acceleration/energy drift too large 5.54226555254511 31.3092905996061 split increased to 2 itime 849695 itsplit 1 acceleration/energy drift too large 3.70270590445924 10.3665933714424 split increased to 2 itime 849926 itsplit 1 Velocities reset to random values, time 169999.80 acceleration/energy drift too large 3.68185342994993 11.3821760217665 split increased to 2 itime 851041 itsplit 1 acceleration/energy drift too large 1.30272849302438 11.5255973493773 split increased to 2 itime 851510 itsplit 1 acceleration/energy drift too large 3.87880302633644 12.3183228758084 split increased to 2 itime 851778 itsplit 1 acceleration/energy drift too large 5.33004720940022 15.5440018808535 split increased to 2 itime 851819 itsplit 1 acceleration/energy drift too large 3.41304475117642 11.2777203505534 split increased to 2 itime 854377 itsplit 1 acceleration/energy drift too large 2.27500270613526 15.9377053001000 split increased to 2 itime 855018 itsplit 1 acceleration/energy drift too large 10.2867316676197 36.7553411283993 split increased to 2 itime 855060 itsplit 1 acceleration/energy drift too large 6.24895785298984 15.6085990016604 split increased to 2 itime 855349 itsplit 1 acceleration/energy drift too large 5.90725842630384 39.0462466429432 split increased to 2 itime 855571 itsplit 1 acceleration/energy drift too large 3.79779225813693 15.5739170626962 split increased to 2 itime 856361 itsplit 1 acceleration/energy drift too large 4.28449275870720 19.6576330725434 split increased to 2 itime 857531 itsplit 1 acceleration/energy drift too large 6.62333786343115 12.6131954903391 split increased to 2 itime 858035 itsplit 1 acceleration/energy drift too large 6.43179702188010 16.1897983967648 split increased to 2 itime 858155 itsplit 1 acceleration/energy drift too large 8.11650383037319 15.6602078767251 split increased to 2 itime 858432 itsplit 1 acceleration/energy drift too large 6.35903095929199 23.4297110756282 split increased to 2 itime 858761 itsplit 1 acceleration/energy drift too large 2.37405421642417 15.1472486608351 split increased to 2 itime 858924 itsplit 1 acceleration/energy drift too large 6.09358470738852 10.9077721929170 split increased to 2 itime 859471 itsplit 1 Velocities reset to random values, time 171999.80 acceleration/energy drift too large 2.99205006305992 10.2350419819350 split increased to 2 itime 860018 itsplit 1 acceleration/energy drift too large 3.40837723928827 25.7902701486737 split increased to 2 itime 860135 itsplit 1 acceleration/energy drift too large 7.62635741992279 31.4351267351660 split increased to 2 itime 860901 itsplit 1 acceleration/energy drift too large 6.93431461412510 15.1613228587910 split increased to 2 itime 861303 itsplit 1 acceleration/energy drift too large 1.00987298164245 10.3397339799149 split increased to 2 itime 861995 itsplit 1 acceleration/energy drift too large 4.16853171169325 13.0027043121091 split increased to 2 itime 863287 itsplit 1 acceleration/energy drift too large 3.41312242463000 11.5196222844960 split increased to 2 itime 865038 itsplit 1 acceleration/energy drift too large 13.0330892078029 57.0795780246197 split increased to 2 itime 868783 itsplit 1 acceleration/energy drift too large 2.12413786848346 10.0067532313556 split increased to 2 itime 868784 itsplit 1 Velocities reset to random values, time 173999.80 acceleration/energy drift too large 4.48316920487698 15.3642270727834 split increased to 2 itime 870014 itsplit 1 acceleration/energy drift too large 5.46663248460850 17.7620124333731 split increased to 2 itime 870462 itsplit 1 acceleration/energy drift too large 3.68493117330259 15.0465686409301 split increased to 2 itime 871407 itsplit 1 acceleration/energy drift too large 6.64682869143959 24.9070890424714 split increased to 2 itime 871529 itsplit 1 acceleration/energy drift too large 5.14654974865849 29.8324859553264 split increased to 2 itime 871817 itsplit 1 acceleration/energy drift too large 8.42810352971725 17.9736890336102 split increased to 2 itime 872861 itsplit 1 acceleration/energy drift too large 8.05814780717397 30.6379757016150 split increased to 2 itime 874388 itsplit 1 acceleration/energy drift too large 8.33355163012773 38.3922122885332 split increased to 2 itime 874537 itsplit 1 acceleration/energy drift too large 4.68644641701786 16.0673717023889 split increased to 2 itime 876317 itsplit 1 acceleration/energy drift too large 5.54838238836925 10.2436358313971 split increased to 2 itime 876597 itsplit 1 acceleration/energy drift too large 5.00469925291067 27.3154930108518 split increased to 2 itime 877533 itsplit 1 acceleration/energy drift too large 5.59046583329068 26.8590207082939 split increased to 2 itime 877548 itsplit 1 acceleration/energy drift too large 5.48771666783080 28.7019627916702 split increased to 2 itime 878543 itsplit 1 acceleration/energy drift too large 3.73201268096728 11.0757880270104 split increased to 2 itime 878693 itsplit 1 acceleration/energy drift too large 9.05475934756846 37.2516124384736 split increased to 2 itime 878702 itsplit 1 acceleration/energy drift too large 5.05447404120733 25.2698507175826 split increased to 2 itime 879010 itsplit 1 Velocities reset to random values, time 175999.80 acceleration/energy drift too large 9.75728425299078 41.0870040318110 split increased to 2 itime 881324 itsplit 1 acceleration/energy drift too large 4.47116429398335 14.1341879857286 split increased to 2 itime 881606 itsplit 1 acceleration/energy drift too large 5.64122344751255 18.8058428574082 split increased to 2 itime 881685 itsplit 1 acceleration/energy drift too large 3.38201272748284 14.2758439607364 split increased to 2 itime 881738 itsplit 1 acceleration/energy drift too large 6.24012822934427 18.0100837224270 split increased to 2 itime 882462 itsplit 1 acceleration/energy drift too large 8.07778553109738 25.6531995482950 split increased to 2 itime 882553 itsplit 1 acceleration/energy drift too large 9.02012689384697 45.8986493682498 split increased to 2 itime 883151 itsplit 1 acceleration/energy drift too large 4.38698856093318 13.0492338203838 split increased to 2 itime 883152 itsplit 1 acceleration/energy drift too large 3.77344730739846 31.4190984399745 split increased to 2 itime 883483 itsplit 1 acceleration/energy drift too large 6.64034466081295 13.3128353634422 split increased to 2 itime 883906 itsplit 1 acceleration/energy drift too large 2.99139857812002 11.1499735253225 split increased to 2 itime 883907 itsplit 1 acceleration/energy drift too large 4.24537943309958 18.7215985233019 split increased to 2 itime 883926 itsplit 1 acceleration/energy drift too large 4.81741301780442 20.8858375981111 split increased to 2 itime 884371 itsplit 1 acceleration/energy drift too large 6.52081369720799 24.9620853130424 split increased to 2 itime 884974 itsplit 1 acceleration/energy drift too large 0.263370944738246 12.0317858012129 split increased to 2 itime 884975 itsplit 1 acceleration/energy drift too large 3.98878456038785 13.0035973568009 split increased to 2 itime 885542 itsplit 1 acceleration/energy drift too large 3.18261729071186 11.0608343884385 split increased to 2 itime 885578 itsplit 1 acceleration/energy drift too large 4.92939709666047 18.2408544479708 split increased to 2 itime 885837 itsplit 1 acceleration/energy drift too large 4.34515561364903 13.1606681215121 split increased to 2 itime 886867 itsplit 1 acceleration/energy drift too large 4.64805771470019 28.0828383580426 split increased to 2 itime 887096 itsplit 1 acceleration/energy drift too large 5.31018609394849 32.0949137523407 split increased to 2 itime 889001 itsplit 1 acceleration/energy drift too large 6.82513543801012 23.6627509990968 split increased to 2 itime 889901 itsplit 1 acceleration/energy drift too large 10.9629338214056 58.8838096980452 split increased to 2 itime 889927 itsplit 1 Velocities reset to random values, time 177999.80 acceleration/energy drift too large 4.36779603957700 24.8966689634780 split increased to 2 itime 890498 itsplit 1 acceleration/energy drift too large 4.47372517857774 19.6760890913935 split increased to 2 itime 890596 itsplit 1 acceleration/energy drift too large 4.14351180458100 10.4511039981667 split increased to 2 itime 890712 itsplit 1 acceleration/energy drift too large 10.2963683940520 45.2861029725464 split increased to 2 itime 890950 itsplit 1 acceleration/energy drift too large 8.00597792217140 28.6236925691628 split increased to 2 itime 892274 itsplit 1 acceleration/energy drift too large 5.02319824980618 10.7412013842596 split increased to 2 itime 892567 itsplit 1 acceleration/energy drift too large 5.66486812447466 21.2749068812215 split increased to 2 itime 892592 itsplit 1 acceleration/energy drift too large 5.81284141455630 28.0663381368691 split increased to 2 itime 893061 itsplit 1 acceleration/energy drift too large 4.30815622737141 15.5949203230660 split increased to 2 itime 893492 itsplit 1 acceleration/energy drift too large 12.1819107276745 65.0361040217672 split increased to 2 itime 893925 itsplit 1 acceleration/energy drift too large 7.80254918281608 14.5743526834994 split increased to 2 itime 894184 itsplit 1 acceleration/energy drift too large 3.90420148861399 18.7112169089617 split increased to 2 itime 894537 itsplit 1 acceleration/energy drift too large 8.09224840033428 23.0036447957748 split increased to 2 itime 894588 itsplit 1 acceleration/energy drift too large 5.75108790283350 22.1618084409864 split increased to 2 itime 895492 itsplit 1 acceleration/energy drift too large 8.08098119782837 32.6098455266172 split increased to 2 itime 897411 itsplit 1 acceleration/energy drift too large 2.27046515056975 12.9209978044190 split increased to 2 itime 897412 itsplit 1 acceleration/energy drift too large 2.81204518953327 10.7801647430719 split increased to 2 itime 897898 itsplit 1 acceleration/energy drift too large 6.00422851541804 18.6321947426595 split increased to 2 itime 898369 itsplit 1 acceleration/energy drift too large 6.13140200018052 10.2266616808305 split increased to 2 itime 899966 itsplit 1 Velocities reset to random values, time 179999.80 REMD synchro at 900000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 REMD gather times= 373.199218750000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.38889 18 ACC 2 260.00000 0.27778 18 ACC 3 270.00000 0.61111 18 ACC 4 280.00000 0.66667 18 ACC 5 290.00000 0.77778 18 ACC 6 300.00000 0.72222 18 ACC 7 310.00000 0.66667 18 ACC 8 320.00000 0.61111 18 ACC 9 330.00000 0.72222 18 ACC 10 340.00000 0.55556 18 ACC 11 350.00000 0.77778 18 ACC 12 360.00000 0.88889 18 ACC 13 370.00000 0.72222 18 ACC 14 380.00000 1.00000 18 ACC 15 390.00000 0.88889 18 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 acceleration/energy drift too large 4.93437115929913 15.0101778190027 split increased to 2 itime 901458 itsplit 1 acceleration/energy drift too large 6.23402609252654 14.4562536827666 split increased to 2 itime 902306 itsplit 1 acceleration/energy drift too large 2.99968056491140 20.4446159912064 split increased to 2 itime 902468 itsplit 1 acceleration/energy drift too large 3.58446877753617 10.2761800414219 split increased to 2 itime 904271 itsplit 1 acceleration/energy drift too large 4.00651805994318 22.1471642208457 split increased to 2 itime 906132 itsplit 1 acceleration/energy drift too large 4.85938913669745 14.5226291007124 split increased to 2 itime 906133 itsplit 1 acceleration/energy drift too large 4.80027462530083 16.3990832941431 split increased to 2 itime 906140 itsplit 1 acceleration/energy drift too large 4.29442321794351 17.7722159592652 split increased to 2 itime 906286 itsplit 1 acceleration/energy drift too large 3.08903550090499 12.5731053522371 split increased to 2 itime 906287 itsplit 1 acceleration/energy drift too large 6.80185232783696 27.1935372158233 split increased to 2 itime 907678 itsplit 1 acceleration/energy drift too large 3.87821223950876 22.7963857622274 split increased to 2 itime 908163 itsplit 1 acceleration/energy drift too large 3.83402775545744 11.3250287229579 split increased to 2 itime 908164 itsplit 1 acceleration/energy drift too large 3.35094012711318 16.4693126884373 split increased to 2 itime 908232 itsplit 1 acceleration/energy drift too large 6.30726425217768 19.7459594678826 split increased to 2 itime 908549 itsplit 1 acceleration/energy drift too large 5.07988741659012 17.6543755976998 split increased to 2 itime 908770 itsplit 1 acceleration/energy drift too large 2.30347111871892 10.3511918379433 split increased to 2 itime 909562 itsplit 1 acceleration/energy drift too large 4.22646771764469 20.1576902483019 split increased to 2 itime 909591 itsplit 1 acceleration/energy drift too large 5.47939704292618 22.8704872452274 split increased to 2 itime 909731 itsplit 1 Velocities reset to random values, time 181999.80 acceleration/energy drift too large 5.09467054175795 26.3969122856032 split increased to 2 itime 910687 itsplit 1 acceleration/energy drift too large 5.67033361430972 25.6818534970529 split increased to 2 itime 910770 itsplit 1 acceleration/energy drift too large 4.99579558348459 24.0473705823683 split increased to 2 itime 910798 itsplit 1 acceleration/energy drift too large 3.86536720461861 21.5771872582344 split increased to 2 itime 913346 itsplit 1 acceleration/energy drift too large 3.44077645781660 10.2419034181596 split increased to 2 itime 913372 itsplit 1 acceleration/energy drift too large 5.28482377800547 32.3645650565124 split increased to 2 itime 913588 itsplit 1 acceleration/energy drift too large 13.4909664207648 69.4081346804915 split increased to 2 itime 915749 itsplit 1 acceleration/energy drift too large 12.1372326604667 65.6913078401244 split increased to 2 itime 916042 itsplit 1 acceleration/energy drift too large 4.40131450822704 22.1495751135271 split increased to 2 itime 916232 itsplit 1 acceleration/energy drift too large 10.2989448147296 51.9670279406022 split increased to 2 itime 917267 itsplit 1 acceleration/energy drift too large 3.88462128949334 12.4411002466979 split increased to 2 itime 917627 itsplit 1 acceleration/energy drift too large 5.31411568143583 15.7333203477963 split increased to 2 itime 917720 itsplit 1 acceleration/energy drift too large 3.66157513459153 12.5476649583374 split increased to 2 itime 917968 itsplit 1 acceleration/energy drift too large 5.70706498520026 16.5581569994549 split increased to 2 itime 918387 itsplit 1 Velocities reset to random values, time 183999.80 acceleration/energy drift too large 5.56429193417560 29.3175208962556 split increased to 2 itime 920148 itsplit 1 acceleration/energy drift too large 6.64284676109226 40.1256986281886 split increased to 2 itime 920893 itsplit 1 acceleration/energy drift too large 4.38787227250577 21.6276639104141 split increased to 2 itime 921366 itsplit 1 acceleration/energy drift too large 3.19740832964449 10.1014459500854 split increased to 2 itime 921375 itsplit 1 acceleration/energy drift too large 7.38527854588811 29.6312062575902 split increased to 2 itime 921552 itsplit 1 acceleration/energy drift too large 0.438305168966215 10.5232281253846 split increased to 2 itime 921553 itsplit 1 acceleration/energy drift too large 1.58109993029180 14.7565363565881 split increased to 2 itime 921769 itsplit 1 acceleration/energy drift too large 5.67760329803003 22.2165147218619 split increased to 2 itime 922374 itsplit 1 acceleration/energy drift too large 12.2130329960643 70.1010473279690 split increased to 2 itime 922481 itsplit 1 acceleration/energy drift too large 8.60481415122008 31.1592249184065 split increased to 2 itime 923609 itsplit 1 acceleration/energy drift too large 8.23813611453226 32.1689412432831 split increased to 2 itime 923896 itsplit 1 acceleration/energy drift too large 1.06703222250487 13.4953480246859 split increased to 2 itime 923897 itsplit 1 acceleration/energy drift too large 4.12304869493284 15.3307047070699 split increased to 2 itime 924596 itsplit 1 acceleration/energy drift too large 9.22935151192767 47.5203519308285 split increased to 2 itime 925930 itsplit 1 acceleration/energy drift too large 4.29060269682502 21.6584126945005 split increased to 2 itime 926384 itsplit 1 acceleration/energy drift too large 3.72724613327602 11.7006581107728 split increased to 2 itime 926784 itsplit 1 acceleration/energy drift too large 9.90482414129620 32.5056758649788 split increased to 2 itime 927004 itsplit 1 acceleration/energy drift too large 4.68488846071996 19.5894347673683 split increased to 2 itime 927131 itsplit 1 acceleration/energy drift too large 5.79449162997045 15.0490214221326 split increased to 2 itime 927860 itsplit 1 acceleration/energy drift too large 3.80198701355842 14.4179139400938 split increased to 2 itime 927922 itsplit 1 acceleration/energy drift too large 5.33716600225005 10.5087033948092 split increased to 2 itime 927964 itsplit 1 acceleration/energy drift too large 4.71105565978845 15.7922639658713 split increased to 2 itime 928961 itsplit 1 acceleration/energy drift too large 6.08600055206621 21.4112799856860 split increased to 2 itime 929176 itsplit 1 Velocities reset to random values, time 185999.80 acceleration/energy drift too large 4.47317438085271 13.9918727493533 split increased to 2 itime 930716 itsplit 1 acceleration/energy drift too large 7.61542398160146 20.9377285698323 split increased to 2 itime 930936 itsplit 1 acceleration/energy drift too large 5.84231354053295 11.9979614683458 split increased to 2 itime 931112 itsplit 1 acceleration/energy drift too large 5.14036544416182 13.2956735478108 split increased to 2 itime 931812 itsplit 1 acceleration/energy drift too large 12.4085325018450 72.9235885011681 split increased to 2 itime 931956 itsplit 1 acceleration/energy drift too large 4.25445784132679 19.7286268432905 split increased to 2 itime 931988 itsplit 1 acceleration/energy drift too large 9.30921243877480 40.2095483022950 split increased to 2 itime 932199 itsplit 1 acceleration/energy drift too large 7.35008464542795 21.7813388810560 split increased to 2 itime 932200 itsplit 1 acceleration/energy drift too large 1.48243780969227 10.6102583561273 split increased to 2 itime 932201 itsplit 1 acceleration/energy drift too large 4.25633512692957 12.1440705603712 split increased to 2 itime 933754 itsplit 1 acceleration/energy drift too large 8.99919094893868 36.5826445520266 split increased to 2 itime 933767 itsplit 1 acceleration/energy drift too large 4.68498523088640 21.4274055628450 split increased to 2 itime 934373 itsplit 1 acceleration/energy drift too large 3.72150962358112 14.6551097639788 split increased to 2 itime 935499 itsplit 1 acceleration/energy drift too large 2.96165562232275 12.8539171781291 split increased to 2 itime 935923 itsplit 1 acceleration/energy drift too large 3.03855160784851 12.5300022063457 split increased to 2 itime 937073 itsplit 1 acceleration/energy drift too large 7.60834068261137 19.2801094092748 split increased to 2 itime 937329 itsplit 1 acceleration/energy drift too large 3.91825253642270 10.5284529658647 split increased to 2 itime 937379 itsplit 1 acceleration/energy drift too large 12.8377656694859 66.2483337549252 split increased to 2 itime 939014 itsplit 1 acceleration/energy drift too large 5.68191649703531 30.6533963098847 split increased to 2 itime 939506 itsplit 1 Velocities reset to random values, time 187999.80 acceleration/energy drift too large 5.24740822173693 25.0947241812972 split increased to 2 itime 940152 itsplit 1 acceleration/energy drift too large 4.48255840922835 18.0958424953358 split increased to 2 itime 941590 itsplit 1 acceleration/energy drift too large 3.82879880331392 15.8016757913401 split increased to 2 itime 942863 itsplit 1 acceleration/energy drift too large 5.43918886244314 27.8890555309109 split increased to 2 itime 943738 itsplit 1 acceleration/energy drift too large 4.19823988057940 14.1900815764153 split increased to 2 itime 944063 itsplit 1 acceleration/energy drift too large 3.10258815927535 10.8904351399417 split increased to 2 itime 945234 itsplit 1 acceleration/energy drift too large 1.95775952733817 11.5335341263733 split increased to 2 itime 946027 itsplit 1 acceleration/energy drift too large 7.69451164938157 32.3971720271101 split increased to 2 itime 946129 itsplit 1 acceleration/energy drift too large 3.78812930180239 13.0566190076797 split increased to 2 itime 946137 itsplit 1 acceleration/energy drift too large 3.34611334403611 11.0468787276732 split increased to 2 itime 946168 itsplit 1 acceleration/energy drift too large 6.02605362164031 12.0312683397919 split increased to 2 itime 946722 itsplit 1 acceleration/energy drift too large 6.01642971241327 12.9319001467940 split increased to 2 itime 946801 itsplit 1 acceleration/energy drift too large 5.04887898131533 10.1685634966359 split increased to 2 itime 947009 itsplit 1 acceleration/energy drift too large 5.16001033979912 14.4744643571712 split increased to 2 itime 947612 itsplit 1 acceleration/energy drift too large 4.07991984644002 23.3995076657738 split increased to 2 itime 947620 itsplit 1 acceleration/energy drift too large 4.11639392149935 12.9072302676626 split increased to 2 itime 948104 itsplit 1 acceleration/energy drift too large 3.04719165085300 13.1226507930868 split increased to 2 itime 948317 itsplit 1 acceleration/energy drift too large 5.09789646580244 10.0500170251243 split increased to 2 itime 948393 itsplit 1 acceleration/energy drift too large 5.45734651817151 15.8517923503394 split increased to 2 itime 949390 itsplit 1 acceleration/energy drift too large 11.4665036224663 62.6447240694330 split increased to 2 itime 949453 itsplit 1 acceleration/energy drift too large 4.08603411271666 11.2556477421009 split increased to 2 itime 949465 itsplit 1 Velocities reset to random values, time 189999.80 acceleration/energy drift too large 5.85287446296466 14.9991102514819 split increased to 2 itime 950305 itsplit 1 acceleration/energy drift too large 3.71477119655034 16.3182533353808 split increased to 2 itime 950339 itsplit 1 acceleration/energy drift too large 2.83743387635930 16.8383827088342 split increased to 2 itime 951329 itsplit 1 acceleration/energy drift too large 3.90670326374004 15.3220640230232 split increased to 2 itime 953690 itsplit 1 acceleration/energy drift too large 2.62861239174918 10.7410202238117 split increased to 2 itime 954006 itsplit 1 acceleration/energy drift too large 8.86715714960890 32.9070869824575 split increased to 2 itime 954055 itsplit 1 acceleration/energy drift too large 7.22473560415109 28.6103141790460 split increased to 2 itime 954440 itsplit 1 acceleration/energy drift too large 5.30416133201391 11.4141641246531 split increased to 2 itime 954673 itsplit 1 acceleration/energy drift too large 5.94109047559299 20.8563622923526 split increased to 2 itime 956224 itsplit 1 acceleration/energy drift too large 10.6676691962792 54.2823662230696 split increased to 2 itime 956372 itsplit 1 acceleration/energy drift too large 3.11409700438409 11.9370765376507 split increased to 2 itime 956373 itsplit 1 acceleration/energy drift too large 9.99337950790110 50.6344725381340 split increased to 2 itime 957377 itsplit 1 acceleration/energy drift too large 8.76686080597280 33.1394526880058 split increased to 2 itime 957624 itsplit 1 acceleration/energy drift too large 4.83868928694961 15.2407387496088 split increased to 2 itime 959250 itsplit 1 Velocities reset to random values, time 191999.80 acceleration/energy drift too large 6.42933846314199 10.8511750843030 split increased to 2 itime 960109 itsplit 1 acceleration/energy drift too large 3.75593246380607 11.3652767625915 split increased to 2 itime 961040 itsplit 1 acceleration/energy drift too large 4.06342056085148 13.0522576387192 split increased to 2 itime 961573 itsplit 1 acceleration/energy drift too large 1.89710333313758 13.1122808625410 split increased to 2 itime 963062 itsplit 1 acceleration/energy drift too large 4.23920866831200 11.4845842268528 split increased to 2 itime 963422 itsplit 1 acceleration/energy drift too large 5.35973488462845 24.8876589245069 split increased to 2 itime 964362 itsplit 1 acceleration/energy drift too large 14.6799926241109 91.7903279572226 split increased to 2 itime 964694 itsplit 1 acceleration/energy drift too large 5.85462317938537 24.4728598938659 split increased to 2 itime 966087 itsplit 1 acceleration/energy drift too large 6.67269614419787 23.6469460395627 split increased to 2 itime 966156 itsplit 1 acceleration/energy drift too large 4.52312566278489 13.0889079479931 split increased to 2 itime 966325 itsplit 1 acceleration/energy drift too large 5.47356410412379 18.2121923372165 split increased to 2 itime 969072 itsplit 1 acceleration/energy drift too large 6.46212752820196 21.4560259385226 split increased to 2 itime 969115 itsplit 1 Velocities reset to random values, time 193999.80 acceleration/energy drift too large 7.59783226207096 20.3838446732889 split increased to 2 itime 970164 itsplit 1 acceleration/energy drift too large 7.68605738823907 25.7785069050754 split increased to 2 itime 971406 itsplit 1 acceleration/energy drift too large 3.34888668030859 20.1752881212538 split increased to 2 itime 972465 itsplit 1 acceleration/energy drift too large 3.56399452097903 12.8160196910087 split increased to 2 itime 972736 itsplit 1 acceleration/energy drift too large 4.82836545198027 13.2089217090868 split increased to 2 itime 972779 itsplit 1 acceleration/energy drift too large 5.97141397664501 15.1370584478844 split increased to 2 itime 976108 itsplit 1 acceleration/energy drift too large 10.5923629945406 71.9190696934368 split increased to 2 itime 978542 itsplit 1 acceleration/energy drift too large 5.88501413398793 13.5630053549221 split increased to 2 itime 978603 itsplit 1 acceleration/energy drift too large 4.63888612685780 13.1342235544612 split increased to 2 itime 979238 itsplit 1 Velocities reset to random values, time 195999.80 acceleration/energy drift too large 6.60743137668364 16.6153955908116 split increased to 2 itime 980986 itsplit 1 acceleration/energy drift too large 7.92518090623341 30.3280729314424 split increased to 2 itime 981068 itsplit 1 acceleration/energy drift too large 4.94810485676927 11.0035827892719 split increased to 2 itime 981132 itsplit 1 acceleration/energy drift too large 8.33704383212318 26.4873381265814 split increased to 2 itime 981351 itsplit 1 acceleration/energy drift too large 2.45411157116396 14.4319185810067 split increased to 2 itime 981392 itsplit 1 acceleration/energy drift too large 5.06038857354386 18.0610226812088 split increased to 2 itime 981581 itsplit 1 acceleration/energy drift too large 5.31079782616808 19.5726040559181 split increased to 2 itime 983607 itsplit 1 acceleration/energy drift too large 5.12211749847086 31.0571937142762 split increased to 2 itime 983656 itsplit 1 acceleration/energy drift too large 3.46727590646042 10.4410338698411 split increased to 2 itime 983719 itsplit 1 acceleration/energy drift too large 5.15745027275192 14.3517863433870 split increased to 2 itime 984132 itsplit 1 acceleration/energy drift too large 5.60382704448450 33.8135120505602 split increased to 2 itime 984205 itsplit 1 acceleration/energy drift too large 10.7354551007698 41.0754013691474 split increased to 2 itime 984760 itsplit 1 acceleration/energy drift too large 4.13227015195393 13.2763627139170 split increased to 2 itime 986890 itsplit 1 acceleration/energy drift too large 5.24773554968488 20.4821532794208 split increased to 2 itime 987203 itsplit 1 acceleration/energy drift too large 2.72906214504816 13.2112571800807 split increased to 2 itime 987553 itsplit 1 acceleration/energy drift too large 6.78875247695467 10.8197900661571 split increased to 2 itime 987865 itsplit 1 acceleration/energy drift too large 3.08908612570232 17.0662214989227 split increased to 2 itime 988663 itsplit 1 acceleration/energy drift too large 2.12819697520283 10.9914915667223 split increased to 2 itime 988970 itsplit 1 Velocities reset to random values, time 197999.80 acceleration/energy drift too large 5.31336084563101 20.1247269319571 split increased to 2 itime 993048 itsplit 1 acceleration/energy drift too large 4.01904876552316 15.3342747479772 split increased to 2 itime 994096 itsplit 1 acceleration/energy drift too large 8.31183759775714 33.8268155226665 split increased to 2 itime 994111 itsplit 1 acceleration/energy drift too large 6.01317140278755 10.7920252565202 split increased to 2 itime 995266 itsplit 1 acceleration/energy drift too large 5.12941728574690 11.8982786194202 split increased to 2 itime 995668 itsplit 1 acceleration/energy drift too large 5.57555697467394 19.4554076874888 split increased to 2 itime 995915 itsplit 1 acceleration/energy drift too large 3.63926980681538 10.4007927953560 split increased to 2 itime 996505 itsplit 1 acceleration/energy drift too large 2.74788309447201 11.3400041220690 split increased to 2 itime 996905 itsplit 1 acceleration/energy drift too large 7.53816938717903 12.3424458674330 split increased to 2 itime 997275 itsplit 1 acceleration/energy drift too large 5.59712098102105 14.9258324621881 split increased to 2 itime 999687 itsplit 1 acceleration/energy drift too large 13.7419429546435 88.2455049087783 split increased to 2 itime 999918 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== MD calculations setup: 7.81250E-03 Energy & gradient evaluation: 3.73910E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 MD steps: 4.14270E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. Total wall clock time 414.292968750000 sec