X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;fp=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;h=3442311618ecdf5ee36386d705e9bd425358f12a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 new file mode 100644 index 0000000..3442311 --- /dev/null +++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -0,0 +1,2962 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1L2Y_REMD.inp + Output file : 1L2Y_REMD.out_GB000 + + Sidechain potential file : + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k + 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 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI + ++++ 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 1 1 1 1 1 1 + 1 1 1 1 1 1 + 1 1 1 1 + Total number of replicas 16 + +============================== 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 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 +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 8 time before 3.515625000000000E-002 + NREP= 16 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 + i,j,il,il1,i_index(i,j,il,il1) +ifirst 1 + nupa 1: 2 +ndowna 1: + nupa 2: 3 +ndowna 2: 1 + nupa 3: 4 +ndowna 3: 2 + nupa 4: 5 +ndowna 4: 3 + nupa 5: 6 +ndowna 5: 4 + nupa 6: 7 +ndowna 6: 5 + nupa 7: 8 +ndowna 7: 6 + nupa 8: 9 +ndowna 8: 7 + 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: + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 + + + 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 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 +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 0.000 180.000 +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 0.000 180.000 + Potential energy and its components + +Virtual-chain energies: + +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+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= 2.264125E+01 (total) + +Initial: + Kinetic energy 2.63515E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 + + maximum acceleration 9.59318E-01 + + Setup time 4.687500000000000E-002 + acceleration/energy drift too large 5.52096223627373 + 30.2576481198290 split increased to 2 itime 776 + itsplit 1 + acceleration/energy drift too large 6.12996191669062 + 32.7489836221582 split increased to 2 itime 1557 + itsplit 1 + acceleration/energy drift too large 1.61312447719228 + 12.8203730755910 split increased to 2 itime 1558 + itsplit 1 + acceleration/energy drift too large 4.83988204146452 + 26.1575411467794 split increased to 2 itime 1882 + itsplit 1 + acceleration/energy drift too large 5.31757823843249 + 12.4132005220493 split increased to 2 itime 2744 + itsplit 1 + acceleration/energy drift too large 7.48441836177942 + 25.8427082755808 split increased to 2 itime 2746 + itsplit 1 + acceleration/energy drift too large 5.35377496364137 + 20.9663754072443 split increased to 2 itime 3003 + itsplit 1 + acceleration/energy drift too large 5.50794024693835 + 25.0973051653464 split increased to 2 itime 3683 + itsplit 1 + acceleration/energy drift too large 3.93695275049900 + 14.1563168146069 split increased to 2 itime 4070 + itsplit 1 + acceleration/energy drift too large 3.16855002137921 + 10.4425934720914 split increased to 2 itime 4336 + itsplit 1 + acceleration/energy drift too large 3.76534924891489 + 12.4403582429723 split increased to 2 itime 4387 + itsplit 1 + acceleration/energy drift too large 7.02374296836291 + 22.3132100132628 split increased to 2 itime 4920 + itsplit 1 + acceleration/energy drift too large 5.35765520601897 + 17.1331535005298 split increased to 2 itime 6240 + itsplit 1 + acceleration/energy drift too large 5.53265707247039 + 13.2880826398223 split increased to 2 itime 6938 + itsplit 1 + acceleration/energy drift too large 1.84195209388677 + 11.3077078270368 split increased to 2 itime 7633 + itsplit 1 + acceleration/energy drift too large 11.2547094213224 + 43.6487677599973 split increased to 2 itime 7655 + itsplit 1 + acceleration/energy drift too large 2.43312411510038 + 11.0394351026467 split increased to 2 itime 7656 + itsplit 1 + acceleration/energy drift too large 4.81803111291750 + 21.0032130702992 split increased to 2 itime 8920 + itsplit 1 + acceleration/energy drift too large 4.07939616361409 + 10.0790452176611 split increased to 2 itime 9380 + itsplit 1 +Velocities reset to random values, time 1999.80 + acceleration/energy drift too large 6.66418420870744 + 21.5938845286491 split increased to 2 itime 10016 + itsplit 1 + acceleration/energy drift too large 3.68095200707226 + 15.5586218340265 split increased to 2 itime 10666 + itsplit 1 + acceleration/energy drift too large 5.90599793572996 + 13.0354665280818 split increased to 2 itime 11486 + itsplit 1 + acceleration/energy drift too large 10.9724591435648 + 74.4265540758012 split increased to 2 itime 14539 + itsplit 1 + acceleration/energy drift too large 2.71641283601661 + 12.1179379049655 split increased to 2 itime 14939 + itsplit 1 +Velocities reset to random values, time 3999.80 + acceleration/energy drift too large 10.3473093872846 + 34.5543008831488 split increased to 2 itime 21143 + itsplit 1 + acceleration/energy drift too large 4.68050809807107 + 14.9223730931786 split increased to 2 itime 22069 + itsplit 1 + acceleration/energy drift too large 2.18059890033971 + 10.4944818570833 split increased to 2 itime 24403 + itsplit 1 + acceleration/energy drift too large 4.67257083293288 + 13.5113109246212 split increased to 2 itime 26612 + itsplit 1 + acceleration/energy drift too large 3.99957559021391 + 11.1625010410242 split increased to 2 itime 27854 + itsplit 1 + acceleration/energy drift too large 2.91621212795126 + 10.0823093572567 split increased to 2 itime 28931 + itsplit 1 +Velocities reset to random values, time 5999.80 + acceleration/energy drift too large 4.42898215413087 + 13.4608010060474 split increased to 2 itime 30695 + itsplit 1 + acceleration/energy drift too large 6.94379103724230 + 12.6426713865156 split increased to 2 itime 31253 + itsplit 1 + acceleration/energy drift too large 4.62747477734365 + 11.5083593947958 split increased to 2 itime 34085 + itsplit 1 + acceleration/energy drift too large 4.68897141839130 + 13.8326552337759 split increased to 2 itime 35096 + itsplit 1 + acceleration/energy drift too large 5.97103225143252 + 16.8958878466461 split increased to 2 itime 36427 + itsplit 1 + acceleration/energy drift too large 2.83361041343637 + 10.1870138704729 split increased to 2 itime 38962 + itsplit 1 + acceleration/energy drift too large 5.43761141917189 + 28.6215916436732 split increased to 2 itime 39573 + itsplit 1 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 6.71618202835124 + 21.8484426773590 split increased to 2 itime 40048 + itsplit 1 + acceleration/energy drift too large 4.78839206313862 + 11.3186039976041 split increased to 2 itime 44667 + itsplit 1 + acceleration/energy drift too large 5.61549338972115 + 13.7712955586614 split increased to 2 itime 45584 + itsplit 1 + acceleration/energy drift too large 4.88112923518931 + 18.1839033671836 split increased to 2 itime 47542 + itsplit 1 + acceleration/energy drift too large 4.18508498426990 + 12.0984587147884 split increased to 2 itime 49978 + itsplit 1 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.75712658213339 + 12.8868383152177 split increased to 2 itime 53072 + itsplit 1 + acceleration/energy drift too large 3.47876306053008 + 13.5970323416962 split increased to 2 itime 53659 + itsplit 1 + acceleration/energy drift too large 12.5497073475896 + 59.5476242197771 split increased to 2 itime 54295 + itsplit 1 + acceleration/energy drift too large 2.79298033614550 + 14.6471800667417 split increased to 2 itime 55902 + itsplit 1 + acceleration/energy drift too large 5.69793261864804 + 29.8524758090115 split increased to 2 itime 56302 + itsplit 1 + acceleration/energy drift too large 3.99009589011978 + 11.5529703605789 split increased to 2 itime 56569 + itsplit 1 + acceleration/energy drift too large 10.3352019178341 + 47.4155341563090 split increased to 2 itime 57296 + itsplit 1 + acceleration/energy drift too large 5.20266465897687 + 25.8988823584993 split increased to 2 itime 57497 + itsplit 1 + acceleration/energy drift too large 4.11983845869502 + 12.3783760780201 split increased to 2 itime 59062 + itsplit 1 + acceleration/energy drift too large 11.9920958913642 + 50.6698470165182 split increased to 2 itime 59118 + itsplit 1 + acceleration/energy drift too large 3.61921495016199 + 21.0327786523077 split increased to 4 itime 59118 + itsplit 1 + acceleration/energy drift too large 3.79669885939645 + 27.9339931572120 split increased to 2 itime 59398 + itsplit 1 + acceleration/energy drift too large 2.77673368418901 + 15.6216150622078 split increased to 2 itime 59734 + itsplit 1 +Velocities reset to random values, time 11999.80 + acceleration/energy drift too large 11.6977569997741 + 63.2873247084235 split increased to 2 itime 61205 + itsplit 1 + acceleration/energy drift too large 2.46975302483821 + 11.7868981408189 split increased to 4 itime 61205 + itsplit 2 + acceleration/energy drift too large 4.53441825631752 + 10.9190885782135 split increased to 2 itime 61359 + itsplit 1 + acceleration/energy drift too large 4.86699382584374 + 17.0301858457051 split increased to 2 itime 61727 + itsplit 1 + acceleration/energy drift too large 9.80988749733368 + 42.3732888734135 split increased to 2 itime 62697 + itsplit 1 + acceleration/energy drift too large 7.85116578210938 + 35.9930639017263 split increased to 2 itime 66455 + itsplit 1 + acceleration/energy drift too large 4.60912609144356 + 19.3357209928814 split increased to 2 itime 69220 + itsplit 1 +Velocities reset to random values, time 13999.80 + acceleration/energy drift too large 4.55975676190419 + 24.4710192583568 split increased to 2 itime 70260 + itsplit 1 + acceleration/energy drift too large 7.80846468417423 + 40.3800904563876 split increased to 2 itime 70553 + itsplit 1 + acceleration/energy drift too large 3.64034174015583 + 11.1920434422640 split increased to 2 itime 70723 + itsplit 1 + acceleration/energy drift too large 6.41647323325635 + 17.9807285521450 split increased to 2 itime 73456 + itsplit 1 + acceleration/energy drift too large 5.47215788047627 + 12.4059118011065 split increased to 2 itime 75099 + itsplit 1 + acceleration/energy drift too large 4.51710859123275 + 27.8246337959767 split increased to 2 itime 76406 + itsplit 1 + acceleration/energy drift too large 4.73984297887243 + 14.9194988064925 split increased to 2 itime 76872 + itsplit 1 + acceleration/energy drift too large 6.00920853395200 + 16.1779705288285 split increased to 2 itime 77735 + itsplit 1 + acceleration/energy drift too large 5.99517005323580 + 13.5412080404750 split increased to 2 itime 78579 + itsplit 1 + acceleration/energy drift too large 4.09979171532423 + 11.1189570526687 split increased to 2 itime 78581 + itsplit 1 + acceleration/energy drift too large 4.60921688688787 + 14.6775966561977 split increased to 2 itime 78740 + itsplit 1 + acceleration/energy drift too large 3.73747665057647 + 11.0307445827144 split increased to 2 itime 78959 + itsplit 1 + acceleration/energy drift too large 5.65573169060239 + 18.0894782004693 split increased to 2 itime 79329 + itsplit 1 + acceleration/energy drift too large 2.79813940370635 + 11.3110696771280 split increased to 2 itime 79740 + itsplit 1 + acceleration/energy drift too large 6.86540355807712 + 32.0187502316872 split increased to 2 itime 79913 + itsplit 1 +Velocities reset to random values, time 15999.80 + acceleration/energy drift too large 7.16413888935177 + 19.9345951368944 split increased to 2 itime 81293 + itsplit 1 + acceleration/energy drift too large 5.27812212634208 + 10.2693135846209 split increased to 2 itime 82876 + itsplit 1 + acceleration/energy drift too large 11.9363698049352 + 59.3189559290204 split increased to 2 itime 83141 + itsplit 1 + acceleration/energy drift too large 6.14705387814686 + 11.0648999977016 split increased to 2 itime 85055 + itsplit 1 + acceleration/energy drift too large 3.52652014997376 + 12.1125084506798 split increased to 2 itime 88885 + itsplit 1 + acceleration/energy drift too large 3.31124587517360 + 27.8877432233392 split increased to 2 itime 89949 + itsplit 1 +Velocities reset to random values, time 17999.80 + acceleration/energy drift too large 4.24485277081510 + 10.2516723831682 split increased to 2 itime 95709 + itsplit 1 + acceleration/energy drift too large 5.97480262204672 + 17.4683720416003 split increased to 2 itime 98117 + itsplit 1 + acceleration/energy drift too large 5.91600565384317 + 18.3171449176164 split increased to 2 itime 99745 + itsplit 1 +Velocities reset to random values, time 19999.80 + REMD synchro at 100000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 36.2500000000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.00000 1 +ACC 2 260.00000 1.00000 1 +ACC 3 270.00000 0.00000 1 +ACC 4 280.00000 1.00000 1 +ACC 5 290.00000 0.00000 1 +ACC 6 300.00000 1.00000 1 +ACC 7 310.00000 0.00000 1 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.17934371249592 + 10.2087980556613 split increased to 2 itime 101423 + itsplit 1 + acceleration/energy drift too large 6.71902465393580 + 21.3954448227706 split increased to 2 itime 103088 + itsplit 1 + acceleration/energy drift too large 4.14212052145930 + 10.2477771121734 split increased to 2 itime 103265 + itsplit 1 + acceleration/energy drift too large 2.86270849799843 + 16.9928188701110 split increased to 2 itime 106414 + itsplit 1 + acceleration/energy drift too large 4.53177559730538 + 11.4104194143493 split increased to 2 itime 106443 + itsplit 1 + acceleration/energy drift too large 4.18378287308024 + 14.5005011242331 split increased to 2 itime 108779 + itsplit 1 + acceleration/energy drift too large 3.22598315055832 + 12.6610528117019 split increased to 2 itime 108794 + itsplit 1 + acceleration/energy drift too large 6.46842098075620 + 29.2446490055127 split increased to 2 itime 109179 + itsplit 1 + acceleration/energy drift too large 7.33198987418711 + 23.8784665864745 split increased to 2 itime 109588 + itsplit 1 +Velocities reset to random values, time 21999.80 + acceleration/energy drift too large 12.5936324735008 + 87.4904660594213 split increased to 2 itime 113586 + itsplit 1 + acceleration/energy drift too large 9.96659194231295 + 46.1392240601901 split increased to 2 itime 116192 + itsplit 1 + acceleration/energy drift too large 11.8914785394874 + 59.8677405548742 split increased to 2 itime 116349 + itsplit 1 + acceleration/energy drift too large 5.74898746466435 + 19.5388584806490 split increased to 2 itime 116536 + itsplit 1 +Velocities reset to random values, time 23999.80 + acceleration/energy drift too large 5.27745777452504 + 31.1714351371525 split increased to 2 itime 120098 + itsplit 1 + acceleration/energy drift too large 3.74543181540312 + 11.4501789286516 split increased to 2 itime 121372 + itsplit 1 + acceleration/energy drift too large 3.42803679687951 + 10.4959823465339 split increased to 2 itime 122933 + itsplit 1 + acceleration/energy drift too large 3.49991890383070 + 10.5249566301708 split increased to 2 itime 125013 + itsplit 1 + acceleration/energy drift too large 1.62769767300833 + 10.2654135133016 split increased to 2 itime 125778 + itsplit 1 + acceleration/energy drift too large 8.02663035272936 + 28.7121451621578 split increased to 2 itime 127472 + itsplit 1 + acceleration/energy drift too large 5.76835440350828 + 16.2551352006392 split increased to 2 itime 128267 + itsplit 1 +Velocities reset to random values, time 25999.80 + acceleration/energy drift too large 4.26687635787808 + 21.0554157683873 split increased to 2 itime 130149 + itsplit 1 + acceleration/energy drift too large 5.75196353669746 + 21.0282115191182 split increased to 2 itime 131582 + itsplit 1 + acceleration/energy drift too large 5.71225739264991 + 17.4431655364789 split increased to 2 itime 134927 + itsplit 1 + acceleration/energy drift too large 5.19150413007089 + 12.5228239503872 split increased to 2 itime 136152 + itsplit 1 + acceleration/energy drift too large 4.10344093002948 + 10.1974794364621 split increased to 2 itime 136201 + itsplit 1 + acceleration/energy drift too large 8.33484155957757 + 32.3010736264777 split increased to 2 itime 138680 + itsplit 1 + acceleration/energy drift too large 9.95247089094314 + 48.7767668973380 split increased to 2 itime 139931 + itsplit 1 + acceleration/energy drift too large 5.38344665405407 + 14.7640285789114 split increased to 2 itime 139971 + itsplit 1 +Velocities reset to random values, time 27999.80 + acceleration/energy drift too large 6.92454139115629 + 21.1486706765611 split increased to 2 itime 145643 + itsplit 1 + acceleration/energy drift too large 4.86579607797770 + 10.9031578146394 split increased to 2 itime 145684 + itsplit 1 + acceleration/energy drift too large 10.4049227474072 + 50.4461596058441 split increased to 2 itime 146872 + itsplit 1 + acceleration/energy drift too large 9.66912720741505 + 40.2511172663848 split increased to 2 itime 146885 + itsplit 1 + acceleration/energy drift too large 4.10603477183141 + 10.2592827770631 split increased to 2 itime 147851 + itsplit 1 + acceleration/energy drift too large 3.32786560673785 + 11.4343977501449 split increased to 2 itime 148254 + itsplit 1 + acceleration/energy drift too large 7.13366226502833 + 19.3187834113476 split increased to 2 itime 149157 + itsplit 1 +Velocities reset to random values, time 29999.80 + acceleration/energy drift too large 8.61253430854444 + 27.5853218013283 split increased to 2 itime 150109 + itsplit 1 + acceleration/energy drift too large 3.70094843167902 + 11.1574520571740 split increased to 2 itime 150644 + itsplit 1 + acceleration/energy drift too large 9.27954411997396 + 42.8271931527937 split increased to 2 itime 152413 + itsplit 1 + acceleration/energy drift too large 9.07358342527929 + 39.9592125188052 split increased to 2 itime 152606 + itsplit 1 + acceleration/energy drift too large 12.3840314146633 + 80.9091265722396 split increased to 2 itime 152976 + itsplit 1 + acceleration/energy drift too large 8.03674716703662 + 19.0423791109267 split increased to 2 itime 153496 + itsplit 1 + acceleration/energy drift too large 10.9441731490924 + 70.7969532343361 split increased to 2 itime 154322 + itsplit 1 + acceleration/energy drift too large 5.63538934002938 + 16.8810313722527 split increased to 2 itime 155330 + itsplit 1 + acceleration/energy drift too large 9.12413362358831 + 38.5879973413810 split increased to 2 itime 156278 + itsplit 1 + acceleration/energy drift too large 3.54884909974270 + 13.7105045875476 split increased to 2 itime 157041 + itsplit 1 + acceleration/energy drift too large 5.59432418771144 + 21.9515384306560 split increased to 2 itime 157516 + itsplit 1 + acceleration/energy drift too large 4.62578893816751 + 10.2865537213298 split increased to 2 itime 158062 + itsplit 1 + acceleration/energy drift too large 4.11565656426364 + 12.0791912207021 split increased to 2 itime 158284 + itsplit 1 +Velocities reset to random values, time 31999.80 + acceleration/energy drift too large 7.53829684111133 + 23.7138416238186 split increased to 2 itime 162661 + itsplit 1 + acceleration/energy drift too large 3.68039447986369 + 10.8493549903618 split increased to 2 itime 163128 + itsplit 1 + acceleration/energy drift too large 4.73375232142101 + 22.3426085113575 split increased to 2 itime 164229 + itsplit 1 + acceleration/energy drift too large 4.98108202510207 + 10.2970808837868 split increased to 2 itime 166483 + itsplit 1 + acceleration/energy drift too large 2.38771188924716 + 12.4938234695248 split increased to 2 itime 169248 + itsplit 1 + acceleration/energy drift too large 6.03612678738474 + 14.7485673123609 split increased to 2 itime 169388 + itsplit 1 + acceleration/energy drift too large 4.81614016976549 + 13.3459720364540 split increased to 2 itime 169904 + itsplit 1 +Velocities reset to random values, time 33999.80 + acceleration/energy drift too large 11.1863120783663 + 59.7648057491176 split increased to 2 itime 170272 + itsplit 1 + acceleration/energy drift too large 4.22635634892026 + 12.4173810129555 split increased to 2 itime 171250 + itsplit 1 + acceleration/energy drift too large 6.51075905485718 + 29.3370933336613 split increased to 2 itime 172422 + itsplit 1 + acceleration/energy drift too large 3.72436301158339 + 13.1813497433787 split increased to 2 itime 175901 + itsplit 1 + acceleration/energy drift too large 6.49242466246178 + 22.4643419565737 split increased to 2 itime 177269 + itsplit 1 + acceleration/energy drift too large 4.84403091443775 + 11.9269929781721 split increased to 2 itime 177607 + itsplit 1 + acceleration/energy drift too large 5.45918271497128 + 14.6298238815097 split increased to 2 itime 178006 + itsplit 1 + acceleration/energy drift too large 2.47703475420302 + 13.0691738661979 split increased to 2 itime 178182 + itsplit 1 +Velocities reset to random values, time 35999.80 + acceleration/energy drift too large 2.15267743115097 + 10.1387265435545 split increased to 2 itime 180802 + itsplit 1 + acceleration/energy drift too large 6.00127006621709 + 21.4834057073722 split increased to 2 itime 181683 + itsplit 1 + acceleration/energy drift too large 2.97774842526374 + 10.2972718822312 split increased to 2 itime 185454 + itsplit 1 + acceleration/energy drift too large 8.33842833469842 + 35.4392209638254 split increased to 2 itime 187234 + itsplit 1 +Velocities reset to random values, time 37999.80 + acceleration/energy drift too large 2.11847635439945 + 12.5035198858907 split increased to 2 itime 191238 + itsplit 1 + acceleration/energy drift too large 4.77203498579132 + 10.4110744029588 split increased to 2 itime 191912 + itsplit 1 + acceleration/energy drift too large 4.54453027233017 + 10.0356167131970 split increased to 2 itime 196957 + itsplit 1 + acceleration/energy drift too large 6.68580290496276 + 13.9181720836976 split increased to 2 itime 198376 + itsplit 1 +Velocities reset to random values, time 39999.80 + REMD synchro at 200000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 71.6328125000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + 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 0.50000 2 +ACC 5 290.00000 0.50000 2 +ACC 6 300.00000 1.00000 2 +ACC 7 310.00000 0.00000 2 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.28824679374231 + 15.9024345396924 split increased to 2 itime 203955 + itsplit 1 + acceleration/energy drift too large 11.5070215187700 + 49.0944611940841 split increased to 2 itime 206633 + itsplit 1 + acceleration/energy drift too large 4.25420846851809 + 19.2618974919655 split increased to 2 itime 208677 + itsplit 1 +Velocities reset to random values, time 41999.80 + acceleration/energy drift too large 4.42756160603751 + 12.1432104892410 split increased to 2 itime 211054 + itsplit 1 + acceleration/energy drift too large 3.93803017668554 + 12.9995639284346 split increased to 2 itime 211548 + itsplit 1 + acceleration/energy drift too large 3.98219757951759 + 11.4387219238157 split increased to 2 itime 211794 + itsplit 1 + acceleration/energy drift too large 6.74562724450386 + 23.7269067121340 split increased to 2 itime 211853 + itsplit 1 + acceleration/energy drift too large 3.33375053166125 + 13.4060503272758 split increased to 2 itime 212010 + itsplit 1 + acceleration/energy drift too large 5.54655824249891 + 13.6861742700047 split increased to 2 itime 212655 + itsplit 1 + acceleration/energy drift too large 8.65875252931396 + 31.0592471454060 split increased to 2 itime 215653 + itsplit 1 + acceleration/energy drift too large 2.38868921064322 + 11.8732731355337 split increased to 4 itime 215653 + itsplit 1 + acceleration/energy drift too large 4.13861739703409 + 15.0393024187417 split increased to 2 itime 216215 + itsplit 1 + acceleration/energy drift too large 13.0824596115316 + 87.3487656723842 split increased to 2 itime 216987 + itsplit 1 + acceleration/energy drift too large 3.68471318880415 + 11.6022525949795 split increased to 2 itime 217361 + itsplit 1 + acceleration/energy drift too large 4.29742192919371 + 11.8243734314081 split increased to 2 itime 219180 + itsplit 1 + acceleration/energy drift too large 3.60721449790466 + 23.9150932473967 split increased to 2 itime 219681 + itsplit 1 +Velocities reset to random values, time 43999.80 + acceleration/energy drift too large 3.33627355546214 + 13.2219234916190 split increased to 2 itime 222420 + itsplit 1 + acceleration/energy drift too large 3.31828441589017 + 29.9913316610760 split increased to 2 itime 223066 + itsplit 1 + acceleration/energy drift too large 6.76979229732437 + 21.5348739163739 split increased to 2 itime 223479 + itsplit 1 + acceleration/energy drift too large 5.16129457674116 + 20.3965539824570 split increased to 2 itime 224693 + itsplit 1 + acceleration/energy drift too large 5.94345605345744 + 25.0442084158658 split increased to 2 itime 225774 + itsplit 1 + acceleration/energy drift too large 2.19690875631684 + 10.3337725856093 split increased to 2 itime 226933 + itsplit 1 + acceleration/energy drift too large 4.91983141507266 + 15.9760155346718 split increased to 2 itime 228380 + itsplit 1 +Velocities reset to random values, time 45999.80 + acceleration/energy drift too large 3.81815743649710 + 22.9885068902762 split increased to 2 itime 232168 + itsplit 1 + acceleration/energy drift too large 14.6280804283543 + 77.6150816283755 split increased to 2 itime 233797 + itsplit 1 + acceleration/energy drift too large 4.46407916101272 + 14.0220478447880 split increased to 2 itime 234624 + itsplit 1 + acceleration/energy drift too large 8.38669704340697 + 30.6877914748705 split increased to 2 itime 237454 + itsplit 1 + acceleration/energy drift too large 5.83294203262514 + 15.7113320404459 split increased to 2 itime 238225 + itsplit 1 + acceleration/energy drift too large 5.16593393898979 + 15.0638815553982 split increased to 2 itime 239998 + itsplit 1 +Velocities reset to random values, time 47999.80 + acceleration/energy drift too large 2.60154319186082 + 13.9937996177110 split increased to 2 itime 241531 + itsplit 1 + acceleration/energy drift too large 10.7411187511044 + 60.8617920579092 split increased to 2 itime 246833 + itsplit 1 + acceleration/energy drift too large 6.24387015903579 + 15.0026009999250 split increased to 2 itime 247612 + itsplit 1 + acceleration/energy drift too large 5.68019416880620 + 13.2409009172324 split increased to 2 itime 248111 + itsplit 1 +Velocities reset to random values, time 49999.80 + acceleration/energy drift too large 8.78619142759571 + 31.2519959089914 split increased to 2 itime 254205 + itsplit 1 + acceleration/energy drift too large 3.85159761224106 + 10.7656417127982 split increased to 2 itime 254594 + itsplit 1 + acceleration/energy drift too large 9.17368974856211 + 36.4206673556135 split increased to 2 itime 254895 + itsplit 1 + acceleration/energy drift too large 4.84456685867435 + 13.8725326375493 split increased to 2 itime 255628 + itsplit 1 + acceleration/energy drift too large 6.54801860403636 + 18.1380505630310 split increased to 2 itime 256835 + itsplit 1 + acceleration/energy drift too large 8.47620465513786 + 26.8763395361816 split increased to 2 itime 257154 + itsplit 1 + acceleration/energy drift too large 6.77275200180386 + 20.3934307444220 split increased to 2 itime 257781 + itsplit 1 +Velocities reset to random values, time 51999.80 + acceleration/energy drift too large 5.38455873049256 + 18.6281786760858 split increased to 2 itime 260481 + itsplit 1 + acceleration/energy drift too large 9.39511280682128 + 38.9938405024220 split increased to 2 itime 261950 + itsplit 1 + acceleration/energy drift too large 12.1890674484274 + 57.8722579331973 split increased to 2 itime 262599 + itsplit 1 + acceleration/energy drift too large 2.87448492185831 + 13.0565962684112 split increased to 4 itime 262599 + itsplit 1 + acceleration/energy drift too large 7.13695485613170 + 21.5710000974874 split increased to 2 itime 263935 + itsplit 1 + acceleration/energy drift too large 7.22276103168808 + 34.4181620907440 split increased to 2 itime 265504 + itsplit 1 + acceleration/energy drift too large 6.32478469629741 + 23.2737874831383 split increased to 2 itime 266930 + itsplit 1 + acceleration/energy drift too large 6.84338505557957 + 19.9395841277614 split increased to 2 itime 267639 + itsplit 1 + acceleration/energy drift too large 4.63024762192930 + 13.7573093042517 split increased to 2 itime 269217 + itsplit 1 +Velocities reset to random values, time 53999.80 + acceleration/energy drift too large 2.25320397614127 + 11.8478041527716 split increased to 2 itime 270220 + itsplit 1 + acceleration/energy drift too large 7.00685372699434 + 25.9882440028013 split increased to 2 itime 274882 + itsplit 1 + acceleration/energy drift too large 7.22794474084599 + 25.1829590397158 split increased to 2 itime 275899 + itsplit 1 + acceleration/energy drift too large 3.65858900880943 + 10.6803027612343 split increased to 2 itime 278246 + itsplit 1 + acceleration/energy drift too large 3.17624689500790 + 10.9690809353355 split increased to 2 itime 279502 + itsplit 1 +Velocities reset to random values, time 55999.80 + acceleration/energy drift too large 1.79863713154959 + 12.4632069041500 split increased to 2 itime 281270 + itsplit 1 + acceleration/energy drift too large 3.16595928584978 + 10.6735486856110 split increased to 2 itime 281293 + itsplit 1 + acceleration/energy drift too large 2.37565360724797 + 13.6376214050826 split increased to 2 itime 283255 + itsplit 1 + acceleration/energy drift too large 3.04916527479840 + 26.9480351432954 split increased to 2 itime 283981 + itsplit 1 + acceleration/energy drift too large 13.5680119696879 + 76.3612786268209 split increased to 2 itime 284175 + itsplit 1 + acceleration/energy drift too large 3.00470407019815 + 11.0972901074148 split increased to 2 itime 288750 + itsplit 1 +Velocities reset to random values, time 57999.80 + acceleration/energy drift too large 4.02454396691891 + 21.6905692442210 split increased to 2 itime 291083 + itsplit 1 + acceleration/energy drift too large 7.42776923705686 + 24.0722374593027 split increased to 2 itime 291941 + itsplit 1 + acceleration/energy drift too large 4.92124715284875 + 18.1955474023390 split increased to 2 itime 294963 + itsplit 1 + acceleration/energy drift too large 3.93874682963256 + 11.5113196332049 split increased to 2 itime 296918 + itsplit 1 + acceleration/energy drift too large 12.6205498963897 + 68.9121432190759 split increased to 2 itime 299075 + itsplit 1 + acceleration/energy drift too large 9.45492544046721 + 39.0681713386836 split increased to 2 itime 299526 + itsplit 1 +Velocities reset to random values, time 59999.80 + REMD synchro at 300000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 107.058593750000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.66667 3 +ACC 2 260.00000 0.33333 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.66667 3 +ACC 5 290.00000 0.33333 3 +ACC 6 300.00000 0.66667 3 +ACC 7 310.00000 0.33333 3 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 5.76936544439912 + 19.0838779435693 split increased to 2 itime 307292 + itsplit 1 + acceleration/energy drift too large 6.90305132390753 + 21.4154144608130 split increased to 2 itime 308276 + itsplit 1 +Velocities reset to random values, time 61999.80 + acceleration/energy drift too large 2.94760885377171 + 15.4386292243471 split increased to 2 itime 311360 + itsplit 1 + acceleration/energy drift too large 2.41165370598991 + 12.2434141324663 split increased to 2 itime 311480 + itsplit 1 + acceleration/energy drift too large 6.99410584472067 + 22.9808829676835 split increased to 2 itime 313342 + itsplit 1 + acceleration/energy drift too large 7.07969477121063 + 16.1706180624546 split increased to 2 itime 314959 + itsplit 1 + acceleration/energy drift too large 6.25608762218935 + 12.4250953051804 split increased to 2 itime 315459 + itsplit 1 + acceleration/energy drift too large 5.56716554942433 + 23.4944162459756 split increased to 2 itime 317171 + itsplit 1 + acceleration/energy drift too large 5.55987485028062 + 23.3193498631511 split increased to 2 itime 317258 + itsplit 1 + acceleration/energy drift too large 7.95163098391601 + 40.2389761023746 split increased to 2 itime 317622 + itsplit 1 + acceleration/energy drift too large 5.63336932172296 + 14.1127001767200 split increased to 2 itime 318926 + itsplit 1 +Velocities reset to random values, time 63999.80 + acceleration/energy drift too large 5.91299826508205 + 11.1698792473658 split increased to 2 itime 321219 + itsplit 1 + acceleration/energy drift too large 4.46986495027927 + 10.0465175664051 split increased to 2 itime 321974 + itsplit 1 + acceleration/energy drift too large 10.0063886163363 + 47.2945489425439 split increased to 2 itime 322064 + itsplit 1 + acceleration/energy drift too large 4.50368925438594 + 28.3856583459787 split increased to 2 itime 323844 + itsplit 1 + acceleration/energy drift too large 5.98933767527289 + 40.0269385902408 split increased to 2 itime 324390 + itsplit 1 + acceleration/energy drift too large 6.82610788042039 + 26.0006192592772 split increased to 2 itime 324871 + itsplit 1 + acceleration/energy drift too large 10.4708996204285 + 52.4128002579814 split increased to 2 itime 325665 + itsplit 1 + acceleration/energy drift too large 7.66818408696277 + 16.0814352939357 split increased to 2 itime 326117 + itsplit 1 + acceleration/energy drift too large 5.09447694358737 + 23.3205308830654 split increased to 2 itime 327162 + itsplit 1 + acceleration/energy drift too large 4.93335429189260 + 28.8587935558088 split increased to 2 itime 327292 + itsplit 1 + acceleration/energy drift too large 2.61057471904166 + 12.6833086117503 split increased to 2 itime 327539 + itsplit 1 + acceleration/energy drift too large 5.47936496964578 + 13.8272217570640 split increased to 2 itime 328487 + itsplit 1 + acceleration/energy drift too large 5.88643914782038 + 16.0333947116943 split increased to 2 itime 328830 + itsplit 1 + acceleration/energy drift too large 10.2075117133927 + 51.4760148862040 split increased to 2 itime 329328 + itsplit 1 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 4.43428343074383 + 12.9512056957455 split increased to 2 itime 331742 + itsplit 1 + acceleration/energy drift too large 3.19664744121289 + 11.7239798004026 split increased to 2 itime 334953 + itsplit 1 + acceleration/energy drift too large 5.20284873405150 + 11.9361018491522 split increased to 2 itime 336287 + itsplit 1 + acceleration/energy drift too large 2.66363685028578 + 14.6017396565994 split increased to 2 itime 337083 + itsplit 1 + acceleration/energy drift too large 4.95109641698009 + 11.2154636116168 split increased to 2 itime 338537 + itsplit 1 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 5.44026267651332 + 14.3496217561171 split increased to 2 itime 340047 + itsplit 1 + acceleration/energy drift too large 2.01263067386562 + 10.8671532628262 split increased to 2 itime 342581 + itsplit 1 + acceleration/energy drift too large 8.61317898527398 + 30.6235392704475 split increased to 2 itime 349269 + itsplit 1 + acceleration/energy drift too large 9.89420317315765 + 51.0051269275753 split increased to 2 itime 349526 + itsplit 1 + acceleration/energy drift too large 5.03302738459632 + 18.8368804523889 split increased to 2 itime 349815 + itsplit 1 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 6.59606917482428 + 17.2536517404267 split increased to 2 itime 350100 + itsplit 1 + acceleration/energy drift too large 4.78053039774665 + 10.4274173864602 split increased to 2 itime 351970 + itsplit 1 + acceleration/energy drift too large 6.95067850904211 + 24.7393044179405 split increased to 2 itime 353518 + itsplit 1 + acceleration/energy drift too large 4.03958386714046 + 11.4286935292646 split increased to 2 itime 356217 + itsplit 1 + acceleration/energy drift too large 4.61912784738001 + 23.3572369875912 split increased to 2 itime 356886 + itsplit 1 + acceleration/energy drift too large 3.61505872305969 + 19.4455036672013 split increased to 2 itime 356944 + itsplit 1 + acceleration/energy drift too large 2.83276363057936 + 15.6321662877459 split increased to 2 itime 357001 + itsplit 1 + acceleration/energy drift too large 8.37568266882538 + 32.2777779822318 split increased to 2 itime 358558 + itsplit 1 + acceleration/energy drift too large 7.18185132323563 + 20.6675131489680 split increased to 2 itime 359143 + itsplit 1 + acceleration/energy drift too large 6.20671776204437 + 19.0013985308463 split increased to 2 itime 359787 + itsplit 1 +Velocities reset to random values, time 71999.80 + acceleration/energy drift too large 9.45728833755205 + 37.1229530509369 split increased to 2 itime 360555 + itsplit 1 + acceleration/energy drift too large 8.52665102263523 + 35.2060697481260 split increased to 2 itime 361206 + itsplit 1 + acceleration/energy drift too large 4.12644521151061 + 10.2869258408174 split increased to 2 itime 364669 + itsplit 1 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 8.11105027161355 + 32.5438994345134 split increased to 2 itime 371011 + itsplit 1 + acceleration/energy drift too large 5.00890145259808 + 16.5721000703201 split increased to 2 itime 371176 + itsplit 1 + acceleration/energy drift too large 6.99009012371602 + 31.7627073991357 split increased to 2 itime 373248 + itsplit 1 + acceleration/energy drift too large 4.56844413801394 + 14.3264534407604 split increased to 2 itime 373927 + itsplit 1 + acceleration/energy drift too large 6.44664479643949 + 24.4205951656303 split increased to 2 itime 375613 + itsplit 1 + acceleration/energy drift too large 7.40484306493608 + 22.5021513642006 split increased to 2 itime 378056 + itsplit 1 + acceleration/energy drift too large 1.56122811670391 + 10.5209018794363 split increased to 2 itime 378689 + itsplit 1 + acceleration/energy drift too large 2.35861964979222 + 15.0654990189912 split increased to 2 itime 379566 + itsplit 1 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 4.50462543022606 + 17.5960110834887 split increased to 2 itime 383751 + itsplit 1 + acceleration/energy drift too large 4.05389495213893 + 13.0961707200764 split increased to 2 itime 384500 + itsplit 1 + acceleration/energy drift too large 7.19255522414618 + 22.4386816310292 split increased to 2 itime 385696 + itsplit 1 + acceleration/energy drift too large 3.24954463103647 + 13.1039123071908 split increased to 2 itime 385824 + itsplit 1 + acceleration/energy drift too large 12.6920705333984 + 73.5606911144577 split increased to 2 itime 387745 + itsplit 1 +Velocities reset to random values, time 77999.80 + acceleration/energy drift too large 2.81572366950123 + 19.1846829792189 split increased to 2 itime 394020 + itsplit 1 + acceleration/energy drift too large 2.44020589120495 + 12.4770843894376 split increased to 2 itime 394578 + itsplit 1 + acceleration/energy drift too large 2.38480239342895 + 13.1199752968779 split increased to 2 itime 395603 + itsplit 1 + acceleration/energy drift too large 2.14106471026809 + 11.1634238685845 split increased to 2 itime 399654 + itsplit 1 + acceleration/energy drift too large 3.87420983662142 + 11.2328469509242 split increased to 2 itime 399688 + itsplit 1 +Velocities reset to random values, time 79999.80 + REMD synchro at 400000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 142.460937500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.50000 4 +ACC 2 260.00000 0.25000 4 +ACC 3 270.00000 0.75000 4 +ACC 4 280.00000 0.50000 4 +ACC 5 290.00000 0.50000 4 +ACC 6 300.00000 0.75000 4 +ACC 7 310.00000 0.25000 4 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.62879063489745 + 11.3726879107341 split increased to 2 itime 401911 + itsplit 1 + acceleration/energy drift too large 3.83128005380851 + 18.8527185980173 split increased to 2 itime 404738 + itsplit 1 + acceleration/energy drift too large 6.84876763576455 + 18.3076197665273 split increased to 2 itime 406320 + itsplit 1 + acceleration/energy drift too large 6.23893737344456 + 29.7665884764159 split increased to 2 itime 409693 + itsplit 1 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 6.94317789931435 + 24.1562724402242 split increased to 2 itime 410157 + itsplit 1 + acceleration/energy drift too large 4.75038198608123 + 12.6878147054932 split increased to 2 itime 413441 + itsplit 1 + acceleration/energy drift too large 5.00532861237243 + 18.9801598917239 split increased to 2 itime 414423 + itsplit 1 + acceleration/energy drift too large 5.18387383172627 + 21.5088212365371 split increased to 2 itime 416564 + itsplit 1 + acceleration/energy drift too large 2.09427561159459 + 14.1458062716582 split increased to 2 itime 416565 + itsplit 1 + acceleration/energy drift too large 5.30026512972403 + 20.3879466711402 split increased to 2 itime 416953 + itsplit 1 + acceleration/energy drift too large 4.94713599932680 + 15.0961607089128 split increased to 2 itime 419770 + itsplit 1 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 6.06698386898860 + 41.4235383078940 split increased to 2 itime 422395 + itsplit 1 + acceleration/energy drift too large 4.83478667771307 + 10.3982241143725 split increased to 2 itime 428203 + itsplit 1 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 3.33031499015028 + 12.3712866868007 split increased to 2 itime 431263 + itsplit 1 + acceleration/energy drift too large 3.63731165868643 + 10.5860117716555 split increased to 2 itime 431264 + itsplit 1 + acceleration/energy drift too large 3.43252418253940 + 19.3120911306159 split increased to 2 itime 431520 + itsplit 1 + acceleration/energy drift too large 6.19089250439513 + 24.6808493067568 split increased to 2 itime 431888 + itsplit 1 + acceleration/energy drift too large 5.94335260798323 + 24.5640816556562 split increased to 2 itime 434899 + itsplit 1 + acceleration/energy drift too large 5.06849058361980 + 10.4508618168476 split increased to 2 itime 435111 + itsplit 1 + acceleration/energy drift too large 5.19278424714480 + 10.0713148849589 split increased to 2 itime 436049 + itsplit 1 + acceleration/energy drift too large 2.53687049910824 + 11.1471566685503 split increased to 2 itime 437055 + itsplit 1 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 9.00832456281566 + 39.0244773752017 split increased to 2 itime 444806 + itsplit 1 + acceleration/energy drift too large 5.27497464376322 + 11.8638833534489 split increased to 2 itime 447593 + itsplit 1 + acceleration/energy drift too large 3.47720917348186 + 25.8790276910957 split increased to 2 itime 447691 + itsplit 1 + acceleration/energy drift too large 2.60017122428666 + 20.5146486423323 split increased to 2 itime 448342 + itsplit 1 + acceleration/energy drift too large 9.48862639957749 + 40.4154214791140 split increased to 2 itime 448442 + itsplit 1 + acceleration/energy drift too large 4.48830883065839 + 11.6300831685520 split increased to 2 itime 448501 + itsplit 1 + acceleration/energy drift too large 5.13540906115893 + 11.5240066649228 split increased to 2 itime 449227 + itsplit 1 + acceleration/energy drift too large 2.22565326747554 + 11.1672103491839 split increased to 2 itime 449455 + itsplit 1 + acceleration/energy drift too large 4.39111613417782 + 12.0713376880061 split increased to 2 itime 449690 + itsplit 1 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.36445562509416 + 19.4441121126973 split increased to 2 itime 451379 + itsplit 1 + acceleration/energy drift too large 6.95633249178906 + 29.7182246326064 split increased to 2 itime 452476 + itsplit 1 + acceleration/energy drift too large 3.67108792857462 + 12.7522429307410 split increased to 2 itime 452653 + itsplit 1 + acceleration/energy drift too large 8.22307936059203 + 31.4645878160414 split increased to 2 itime 452706 + itsplit 1 + acceleration/energy drift too large 6.51825635532967 + 19.5578562273435 split increased to 2 itime 456623 + itsplit 1 + acceleration/energy drift too large 6.78884708645836 + 19.4472101617543 split increased to 2 itime 459684 + itsplit 1 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 4.19885871418896 + 10.5858589940348 split increased to 2 itime 462258 + itsplit 1 + acceleration/energy drift too large 2.92341896885146 + 10.7983323065448 split increased to 2 itime 462937 + itsplit 1 + acceleration/energy drift too large 5.15589362211029 + 18.3776262233828 split increased to 2 itime 464260 + itsplit 1 + acceleration/energy drift too large 2.62737385810479 + 10.1077466483483 split increased to 2 itime 467577 + itsplit 1 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 9.10591682178211 + 38.8790210821244 split increased to 2 itime 470167 + itsplit 1 + acceleration/energy drift too large 5.54950864457635 + 12.0935023038862 split increased to 2 itime 471426 + itsplit 1 + acceleration/energy drift too large 9.61052374144209 + 46.9876451162806 split increased to 2 itime 471744 + itsplit 1 + acceleration/energy drift too large 4.51650063737859 + 12.7384117412545 split increased to 2 itime 473056 + itsplit 1 + acceleration/energy drift too large 4.70799033408715 + 15.5766361938741 split increased to 2 itime 474164 + itsplit 1 + acceleration/energy drift too large 3.09210997329972 + 10.4977372579611 split increased to 2 itime 475852 + itsplit 1 + acceleration/energy drift too large 4.50570283602948 + 18.1087511162190 split increased to 2 itime 476809 + itsplit 1 + acceleration/energy drift too large 5.52211524590005 + 14.0838327876463 split increased to 2 itime 476988 + itsplit 1 + acceleration/energy drift too large 5.95622977674675 + 15.0147314011965 split increased to 2 itime 477585 + itsplit 1 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 9.38485624893340 + 41.8068523479410 split increased to 2 itime 480663 + itsplit 1 + acceleration/energy drift too large 7.36508291333001 + 22.3162344905527 split increased to 2 itime 483142 + itsplit 1 + acceleration/energy drift too large 8.34760290628875 + 23.7910379685211 split increased to 2 itime 483145 + itsplit 1 + acceleration/energy drift too large 8.86066980158030 + 14.1228364413708 split increased to 2 itime 483146 + itsplit 1 + acceleration/energy drift too large 6.11327549291102 + 21.7358547121937 split increased to 2 itime 485855 + itsplit 1 + acceleration/energy drift too large 4.09466359201451 + 12.6956503200943 split increased to 2 itime 487185 + itsplit 1 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 3.26034275292186 + 21.3641759015587 split increased to 2 itime 490702 + itsplit 1 + acceleration/energy drift too large 4.43367129244187 + 26.4213769321996 split increased to 2 itime 490784 + itsplit 1 + acceleration/energy drift too large 7.79181572774895 + 32.2772462047394 split increased to 2 itime 491603 + itsplit 1 + acceleration/energy drift too large 1.92582148610853 + 11.7245513224044 split increased to 2 itime 491604 + itsplit 1 + acceleration/energy drift too large 2.30333369906865 + 11.0329965349217 split increased to 2 itime 492409 + itsplit 1 + acceleration/energy drift too large 4.24220102180116 + 14.7825495861750 split increased to 2 itime 494352 + itsplit 1 + acceleration/energy drift too large 5.97163138457609 + 19.7249168034969 split increased to 2 itime 499315 + itsplit 1 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 177.890625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.60000 5 +ACC 2 260.00000 0.20000 5 +ACC 3 270.00000 0.80000 5 +ACC 4 280.00000 0.60000 5 +ACC 5 290.00000 0.40000 5 +ACC 6 300.00000 0.80000 5 +ACC 7 310.00000 0.40000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 3.54654993979794 + 10.1294432920121 split increased to 2 itime 501814 + itsplit 1 + acceleration/energy drift too large 2.88368437521047 + 17.9740207617585 split increased to 2 itime 502248 + itsplit 1 + acceleration/energy drift too large 7.26855159994730 + 21.5375041319412 split increased to 2 itime 503023 + itsplit 1 + acceleration/energy drift too large 6.07904638165784 + 16.0765386608201 split increased to 2 itime 503731 + itsplit 1 + acceleration/energy drift too large 5.69478758956183 + 15.8636472274129 split increased to 2 itime 503924 + itsplit 1 + acceleration/energy drift too large 10.1517184206382 + 43.0925825052526 split increased to 2 itime 503966 + itsplit 1 + acceleration/energy drift too large 2.47781717835146 + 12.6369948743116 split increased to 2 itime 508606 + itsplit 1 + acceleration/energy drift too large 2.67012964683161 + 19.6419431994866 split increased to 2 itime 508664 + itsplit 1 + acceleration/energy drift too large 8.50516245159043 + 34.1747543965554 split increased to 2 itime 508884 + itsplit 1 + acceleration/energy drift too large 4.13620135294329 + 13.4805834430507 split increased to 2 itime 508886 + itsplit 1 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 4.23150575951494 + 12.5536747021630 split increased to 2 itime 512900 + itsplit 1 + acceleration/energy drift too large 8.18391125568681 + 29.6931699220623 split increased to 2 itime 513094 + itsplit 1 + acceleration/energy drift too large 2.41319507479394 + 13.5625796681227 split increased to 2 itime 513485 + itsplit 1 + acceleration/energy drift too large 1.96611909692508 + 13.4623239783597 split increased to 2 itime 513486 + itsplit 1 + acceleration/energy drift too large 4.01402222912094 + 10.0045183126524 split increased to 2 itime 516948 + itsplit 1 + acceleration/energy drift too large 4.78774367378956 + 12.0221480935469 split increased to 2 itime 517105 + itsplit 1 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 6.43392778749176 + 30.6535820665798 split increased to 2 itime 520536 + itsplit 1 + acceleration/energy drift too large 2.37030054151480 + 14.9183851901714 split increased to 2 itime 522416 + itsplit 1 + acceleration/energy drift too large 5.45933894403845 + 14.0328995490404 split increased to 2 itime 522972 + itsplit 1 + acceleration/energy drift too large 8.13904495291572 + 31.1855034483679 split increased to 2 itime 523169 + itsplit 1 + acceleration/energy drift too large 5.51917086691740 + 13.0274334973776 split increased to 2 itime 523170 + itsplit 1 + acceleration/energy drift too large 5.30830497228993 + 12.4517872663502 split increased to 2 itime 523732 + itsplit 1 + acceleration/energy drift too large 8.86575855584762 + 32.8820262851625 split increased to 2 itime 524144 + itsplit 1 + acceleration/energy drift too large 5.95112699870173 + 22.9514294170722 split increased to 2 itime 524300 + itsplit 1 + acceleration/energy drift too large 2.45427060917275 + 10.5823226666443 split increased to 2 itime 524966 + itsplit 1 + acceleration/energy drift too large 7.36867132337760 + 17.6015884792587 split increased to 2 itime 525376 + itsplit 1 + acceleration/energy drift too large 4.10055252504299 + 16.7212432431455 split increased to 2 itime 526936 + itsplit 1 + acceleration/energy drift too large 6.25697723237914 + 46.1790723352563 split increased to 2 itime 528267 + itsplit 1 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 7.00217970555907 + 24.9364648849732 split increased to 2 itime 530241 + itsplit 1 + acceleration/energy drift too large 4.88746332619350 + 14.1904404801229 split increased to 2 itime 531808 + itsplit 1 + acceleration/energy drift too large 6.32739540759335 + 10.2185677610189 split increased to 2 itime 535391 + itsplit 1 + acceleration/energy drift too large 5.54834625182724 + 21.5047293749282 split increased to 2 itime 535612 + itsplit 1 + acceleration/energy drift too large 2.51451342054439 + 13.8155316839765 split increased to 2 itime 536631 + itsplit 1 + acceleration/energy drift too large 1.92687141889596 + 10.7287727804255 split increased to 2 itime 537826 + itsplit 1 + acceleration/energy drift too large 4.73306036237058 + 11.2973421313719 split increased to 2 itime 539414 + itsplit 1 + acceleration/energy drift too large 3.13086907713985 + 13.0322806533096 split increased to 2 itime 539833 + itsplit 1 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 6.13901090925326 + 16.6214672472706 split increased to 2 itime 540688 + itsplit 1 + acceleration/energy drift too large 4.89057930391504 + 10.6467485205639 split increased to 2 itime 541382 + itsplit 1 + acceleration/energy drift too large 2.67983949492230 + 10.2739115654202 split increased to 2 itime 542068 + itsplit 1 + acceleration/energy drift too large 3.95429020620563 + 11.3589796386975 split increased to 2 itime 543809 + itsplit 1 + acceleration/energy drift too large 5.14807463247646 + 12.8381638082321 split increased to 2 itime 544207 + itsplit 1 + acceleration/energy drift too large 5.00192717208461 + 24.0124266753582 split increased to 2 itime 545448 + itsplit 1 + acceleration/energy drift too large 3.79751637323649 + 11.0080432174300 split increased to 2 itime 546472 + itsplit 1 + acceleration/energy drift too large 5.83773224203629 + 12.9933661936715 split increased to 2 itime 546603 + itsplit 1 + acceleration/energy drift too large 4.64078225548791 + 16.3552003222609 split increased to 2 itime 549011 + itsplit 1 + acceleration/energy drift too large 4.89754292898799 + 18.8058533552943 split increased to 2 itime 549072 + itsplit 1 +Velocities reset to random values, time 109999.80 + acceleration/energy drift too large 2.72842946824660 + 10.1066686786438 split increased to 2 itime 552166 + itsplit 1 + acceleration/energy drift too large 2.45995995288942 + 15.7745790477996 split increased to 2 itime 552578 + itsplit 1 + acceleration/energy drift too large 2.91324123250213 + 10.3382167147394 split increased to 2 itime 553546 + itsplit 1 + acceleration/energy drift too large 5.72593577009804 + 12.2178025953519 split increased to 2 itime 553742 + itsplit 1 + acceleration/energy drift too large 2.32348447860099 + 12.8832003562691 split increased to 2 itime 554728 + itsplit 1 + acceleration/energy drift too large 2.65345228154351 + 11.9350568091264 split increased to 2 itime 556097 + itsplit 1 + acceleration/energy drift too large 5.40593823492931 + 18.0591145434685 split increased to 2 itime 556237 + itsplit 1 + acceleration/energy drift too large 2.48044627707574 + 13.3451732568760 split increased to 2 itime 557523 + itsplit 1 + acceleration/energy drift too large 7.17238817481010 + 20.8597683535904 split increased to 2 itime 558861 + itsplit 1 + acceleration/energy drift too large 4.16440538206498 + 16.8634965495816 split increased to 2 itime 558958 + itsplit 1 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 8.50162782931830 + 34.4242066338458 split increased to 2 itime 560531 + itsplit 1 + acceleration/energy drift too large 5.96129782693190 + 10.7992012905561 split increased to 2 itime 561508 + itsplit 1 + acceleration/energy drift too large 7.19540861290523 + 14.9834344175174 split increased to 2 itime 561659 + itsplit 1 + acceleration/energy drift too large 2.55062521633187 + 10.8182879824186 split increased to 2 itime 561938 + itsplit 1 + acceleration/energy drift too large 6.40921110041772 + 19.6864190050583 split increased to 2 itime 563940 + itsplit 1 + acceleration/energy drift too large 3.07089535596161 + 17.0208663558253 split increased to 2 itime 564149 + itsplit 1 + acceleration/energy drift too large 7.70813081060118 + 24.9084979112389 split increased to 2 itime 565114 + itsplit 1 + acceleration/energy drift too large 9.51478299117786 + 37.1779929889402 split increased to 2 itime 569115 + itsplit 1 +Velocities reset to random values, time 113999.80 + acceleration/energy drift too large 2.11338207942155 + 14.4933323760914 split increased to 2 itime 570658 + itsplit 1 + acceleration/energy drift too large 1.44701745243612 + 12.7158276311942 split increased to 2 itime 570659 + itsplit 1 + acceleration/energy drift too large 5.42855806390507 + 10.8742475267334 split increased to 2 itime 570884 + itsplit 1 + acceleration/energy drift too large 4.40750343344509 + 12.8537564003751 split increased to 2 itime 571770 + itsplit 1 + acceleration/energy drift too large 2.60357457143584 + 12.0172387558219 split increased to 2 itime 572645 + itsplit 1 + acceleration/energy drift too large 4.28848790118803 + 22.9797536450850 split increased to 2 itime 574630 + itsplit 1 + acceleration/energy drift too large 2.94107489869127 + 14.7461231819051 split increased to 2 itime 575116 + itsplit 1 + acceleration/energy drift too large 4.76183281721667 + 17.5066907884071 split increased to 2 itime 576450 + itsplit 1 + acceleration/energy drift too large 3.00658263891984 + 16.5577826207041 split increased to 2 itime 576907 + itsplit 1 + acceleration/energy drift too large 4.02716639838540 + 18.8375298065064 split increased to 2 itime 578113 + itsplit 1 + acceleration/energy drift too large 6.14155914498378 + 21.8450504531363 split increased to 2 itime 578639 + itsplit 1 + acceleration/energy drift too large 3.25974255858672 + 12.0624313444593 split increased to 2 itime 578938 + itsplit 1 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 5.40949717213146 + 10.9479542465665 split increased to 2 itime 580478 + itsplit 1 + acceleration/energy drift too large 4.32405326738603 + 13.5297983710899 split increased to 2 itime 581250 + itsplit 1 + acceleration/energy drift too large 3.51821471873107 + 21.2232918901982 split increased to 2 itime 581474 + itsplit 1 + acceleration/energy drift too large 5.15572924184785 + 13.0842442905218 split increased to 2 itime 583124 + itsplit 1 + acceleration/energy drift too large 7.47881219708562 + 20.8939361685842 split increased to 2 itime 584573 + itsplit 1 + acceleration/energy drift too large 2.61158613580691 + 15.2064485792440 split increased to 2 itime 584705 + itsplit 1 + acceleration/energy drift too large 9.66270529177386 + 47.1687598825487 split increased to 2 itime 585247 + itsplit 1 + acceleration/energy drift too large 3.99636043375173 + 10.2474209124221 split increased to 2 itime 586145 + itsplit 1 + acceleration/energy drift too large 4.45149824304881 + 11.7627802907390 split increased to 2 itime 586557 + itsplit 1 + acceleration/energy drift too large 2.27782238712532 + 13.7626577018592 split increased to 2 itime 586858 + itsplit 1 + acceleration/energy drift too large 5.70052323789646 + 20.0999924867676 split increased to 2 itime 589054 + itsplit 1 +Velocities reset to random values, time 117999.80 + acceleration/energy drift too large 4.25643984581520 + 17.2027984357466 split increased to 2 itime 592670 + itsplit 1 + acceleration/energy drift too large 3.62273908146870 + 10.2434900330675 split increased to 2 itime 592748 + itsplit 1 + acceleration/energy drift too large 7.01786000262888 + 15.7131867482425 split increased to 2 itime 593138 + itsplit 1 + acceleration/energy drift too large 4.64471840380518 + 11.4043754227864 split increased to 2 itime 593187 + itsplit 1 + acceleration/energy drift too large 5.18130550482570 + 13.9974558926156 split increased to 2 itime 593233 + itsplit 1 + acceleration/energy drift too large 5.31136065250286 + 11.0875910905249 split increased to 2 itime 594024 + itsplit 1 + acceleration/energy drift too large 6.29846923578178 + 16.4509275451319 split increased to 2 itime 595029 + itsplit 1 + acceleration/energy drift too large 5.57681569412490 + 14.1562832302298 split increased to 2 itime 598476 + itsplit 1 +Velocities reset to random values, time 119999.80 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 213.578125000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.50000 6 +ACC 2 260.00000 0.16667 6 +ACC 3 270.00000 0.83333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.33333 6 +ACC 6 300.00000 0.83333 6 +ACC 7 310.00000 0.33333 6 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.1826697391455 + 41.7912454451226 split increased to 2 itime 605679 + itsplit 1 + acceleration/energy drift too large 2.08191847532473 + 16.0499589327684 split increased to 2 itime 605806 + itsplit 1 + acceleration/energy drift too large 4.36542313451260 + 11.1842159532898 split increased to 2 itime 607158 + itsplit 1 + acceleration/energy drift too large 4.05636278565401 + 10.4811795051820 split increased to 2 itime 607409 + itsplit 1 + acceleration/energy drift too large 6.00755839767339 + 22.7194391885864 split increased to 2 itime 609689 + itsplit 1 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 5.26702643319799 + 21.0188876596244 split increased to 2 itime 610980 + itsplit 1 + acceleration/energy drift too large 3.49993517070752 + 14.9208667751879 split increased to 2 itime 611902 + itsplit 1 + acceleration/energy drift too large 5.30787101647502 + 17.3073284456886 split increased to 2 itime 612610 + itsplit 1 + acceleration/energy drift too large 4.93408758467702 + 13.8414734468874 split increased to 2 itime 614457 + itsplit 1 + acceleration/energy drift too large 5.81231821842087 + 13.2703779255864 split increased to 2 itime 614584 + itsplit 1 + acceleration/energy drift too large 4.28429651093703 + 11.0344302507079 split increased to 2 itime 615238 + itsplit 1 + acceleration/energy drift too large 6.11019596537981 + 18.3339914707745 split increased to 2 itime 617134 + itsplit 1 + acceleration/energy drift too large 2.88663199403542 + 18.6840947697553 split increased to 2 itime 617177 + itsplit 1 +Velocities reset to random values, time 123999.80 + acceleration/energy drift too large 7.06655452772110 + 20.7340333908513 split increased to 2 itime 620114 + itsplit 1 + acceleration/energy drift too large 4.10846101780947 + 11.2753675354034 split increased to 2 itime 626157 + itsplit 1 + acceleration/energy drift too large 1.29598157690236 + 10.3491236642465 split increased to 2 itime 627305 + itsplit 1 + acceleration/energy drift too large 6.65521836251923 + 34.5084464911337 split increased to 2 itime 627811 + itsplit 1 + acceleration/energy drift too large 4.99877099232653 + 16.9679027324202 split increased to 2 itime 628698 + itsplit 1 + acceleration/energy drift too large 7.01432377711968 + 16.6107616474003 split increased to 2 itime 629441 + itsplit 1 + acceleration/energy drift too large 3.07969288257490 + 13.9505957060182 split increased to 2 itime 629648 + itsplit 1 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 5.41015268510765 + 13.2926677539453 split increased to 2 itime 633434 + itsplit 1 + acceleration/energy drift too large 8.13336972974411 + 26.3613037135260 split increased to 2 itime 633598 + itsplit 1 + acceleration/energy drift too large 6.19913371792766 + 16.5623538038670 split increased to 2 itime 633797 + itsplit 1 + acceleration/energy drift too large 3.55405865323335 + 10.9466488262826 split increased to 2 itime 633951 + itsplit 1 + acceleration/energy drift too large 5.91222396039697 + 38.5389846391381 split increased to 2 itime 634129 + itsplit 1 + acceleration/energy drift too large 8.41007722233682 + 33.8489690773965 split increased to 2 itime 634882 + itsplit 1 + acceleration/energy drift too large 5.50281701867223 + 11.6766803988950 split increased to 2 itime 635205 + itsplit 1 + acceleration/energy drift too large 2.54220302850923 + 14.5312745778162 split increased to 2 itime 637020 + itsplit 1 +Velocities reset to random values, time 127999.80 + acceleration/energy drift too large 6.57732641563244 + 30.9490136704118 split increased to 2 itime 642327 + itsplit 1 + acceleration/energy drift too large 2.25341650320517 + 11.9688353824046 split increased to 2 itime 642675 + itsplit 1 + acceleration/energy drift too large 5.10118204447355 + 17.2848132575282 split increased to 2 itime 644932 + itsplit 1 + acceleration/energy drift too large 1.97854392557908 + 11.3176474866967 split increased to 2 itime 645723 + itsplit 1 + acceleration/energy drift too large 4.69449860319236 + 16.8170439706153 split increased to 2 itime 647485 + itsplit 1 +Velocities reset to random values, time 129999.80 + acceleration/energy drift too large 2.32708578468694 + 12.1877761595727 split increased to 2 itime 651757 + itsplit 1 + acceleration/energy drift too large 6.95884308815614 + 20.6067157789001 split increased to 2 itime 652326 + itsplit 1 + acceleration/energy drift too large 6.54617246651483 + 14.1981421851662 split increased to 2 itime 655794 + itsplit 1 + acceleration/energy drift too large 7.04776117156244 + 19.0312841917958 split increased to 2 itime 655987 + itsplit 1 + acceleration/energy drift too large 6.35310973070588 + 17.3514414665284 split increased to 2 itime 656002 + itsplit 1 + acceleration/energy drift too large 8.10615608132612 + 24.5054745339687 split increased to 2 itime 657169 + itsplit 1 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 7.92456459725167 + 29.9204664741467 split increased to 2 itime 662268 + itsplit 1 + acceleration/energy drift too large 4.68401598803802 + 14.1284272673549 split increased to 2 itime 662269 + itsplit 1 + acceleration/energy drift too large 5.66997471279058 + 12.9172560980604 split increased to 2 itime 662517 + itsplit 1 + acceleration/energy drift too large 4.42091752728146 + 21.3600989437071 split increased to 2 itime 662518 + itsplit 1 + acceleration/energy drift too large 2.92242286571764 + 10.1222064510257 split increased to 2 itime 662546 + itsplit 1 + acceleration/energy drift too large 2.40251819154470 + 10.0155988389765 split increased to 2 itime 662554 + itsplit 1 + acceleration/energy drift too large 4.13888655550485 + 10.2073235737841 split increased to 2 itime 662564 + itsplit 1 + acceleration/energy drift too large 4.07277182187866 + 12.7474719501635 split increased to 2 itime 664125 + itsplit 1 + acceleration/energy drift too large 6.38090765019453 + 19.1191742433534 split increased to 2 itime 666765 + itsplit 1 + acceleration/energy drift too large 6.11219526753053 + 17.8098594205163 split increased to 2 itime 667516 + itsplit 1 + acceleration/energy drift too large 5.63757747609390 + 19.2680341424867 split increased to 2 itime 669523 + itsplit 1 +Velocities reset to random values, time 133999.80 + acceleration/energy drift too large 3.43226426251918 + 14.6021826966332 split increased to 2 itime 671150 + itsplit 1 + acceleration/energy drift too large 12.2954901721432 + 79.3717978001933 split increased to 2 itime 671813 + itsplit 1 + acceleration/energy drift too large 5.95052503323907 + 14.1723596494248 split increased to 2 itime 674212 + itsplit 1 + acceleration/energy drift too large 7.88411043575611 + 25.5247921278167 split increased to 2 itime 675776 + itsplit 1 + acceleration/energy drift too large 0.372480997022055 + 14.8861655663944 split increased to 2 itime 675777 + itsplit 1 + acceleration/energy drift too large 8.95457109688312 + 36.4279299888510 split increased to 2 itime 676854 + itsplit 1 + acceleration/energy drift too large 4.65139313435401 + 13.8851308471196 split increased to 2 itime 679541 + itsplit 1 + acceleration/energy drift too large 6.62564046877236 + 20.2017265780920 split increased to 2 itime 679619 + itsplit 1 +Velocities reset to random values, time 135999.80 + acceleration/energy drift too large 5.01735617679267 + 10.9208452140704 split increased to 2 itime 681524 + itsplit 1 + acceleration/energy drift too large 5.41271132497750 + 17.5846672840452 split increased to 2 itime 683351 + itsplit 1 + acceleration/energy drift too large 5.78507915999790 + 25.7078840278376 split increased to 2 itime 684644 + itsplit 1 + acceleration/energy drift too large 1.82286914072632 + 12.0173232854089 split increased to 2 itime 684645 + itsplit 1 + acceleration/energy drift too large 6.60474337292753 + 14.9237180084655 split increased to 2 itime 684768 + itsplit 1 + acceleration/energy drift too large 7.45696695677698 + 19.8958136395302 split increased to 2 itime 686851 + itsplit 1 + acceleration/energy drift too large 9.00412483112036 + 37.8041172989329 split increased to 2 itime 687712 + itsplit 1 +Velocities reset to random values, time 137999.80 + acceleration/energy drift too large 5.42042513785700 + 10.9847664127414 split increased to 2 itime 690057 + itsplit 1 + acceleration/energy drift too large 6.37635022065840 + 16.1386143111427 split increased to 2 itime 693484 + itsplit 1 + acceleration/energy drift too large 3.81401772570808 + 12.4526391448514 split increased to 2 itime 693634 + itsplit 1 + acceleration/energy drift too large 2.94644550321027 + 16.6975362010955 split increased to 2 itime 694582 + itsplit 1 + acceleration/energy drift too large 6.36073906302701 + 17.3368459504827 split increased to 2 itime 696406 + itsplit 1 + acceleration/energy drift too large 2.21343915119910 + 12.0894867567105 split increased to 2 itime 697437 + itsplit 1 + acceleration/energy drift too large 7.17585688050955 + 20.2696080350779 split increased to 2 itime 697999 + itsplit 1 + acceleration/energy drift too large 7.26916911969444 + 33.7825686222350 split increased to 2 itime 698424 + itsplit 1 +Velocities reset to random values, time 139999.80 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 249.257812500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.42857 7 +ACC 2 260.00000 0.28571 7 +ACC 3 270.00000 0.71429 7 +ACC 4 280.00000 0.57143 7 +ACC 5 290.00000 0.42857 7 +ACC 6 300.00000 0.85714 7 +ACC 7 310.00000 0.42857 7 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.98030284213297 + 15.1625602762865 split increased to 2 itime 700751 + itsplit 1 + acceleration/energy drift too large 5.71090383793302 + 37.3191778288062 split increased to 2 itime 701505 + itsplit 1 + acceleration/energy drift too large 5.47028002333940 + 11.1668265589130 split increased to 2 itime 705012 + itsplit 1 + acceleration/energy drift too large 9.24381737363695 + 27.4756289788624 split increased to 2 itime 705930 + itsplit 1 + acceleration/energy drift too large 3.07612046218623 + 11.3688275786235 split increased to 2 itime 707032 + itsplit 1 + acceleration/energy drift too large 3.16344110320531 + 15.8654053534958 split increased to 2 itime 708083 + itsplit 1 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 4.31813701557933 + 11.0040763052800 split increased to 2 itime 714449 + itsplit 1 + acceleration/energy drift too large 6.15219731653343 + 16.2775778065772 split increased to 2 itime 714513 + itsplit 1 + acceleration/energy drift too large 5.62602409791245 + 15.3081702771435 split increased to 2 itime 714970 + itsplit 1 + acceleration/energy drift too large 10.3337553633305 + 60.6317231587854 split increased to 2 itime 717330 + itsplit 1 + acceleration/energy drift too large 11.8189391522868 + 45.9471319802159 split increased to 2 itime 717463 + itsplit 1 + acceleration/energy drift too large 5.23165544000571 + 19.7176326964173 split increased to 2 itime 718683 + itsplit 1 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 4.25044698354245 + 12.1658595264425 split increased to 2 itime 720033 + itsplit 1 + acceleration/energy drift too large 3.93007472495615 + 10.6593026675390 split increased to 2 itime 721778 + itsplit 1 + acceleration/energy drift too large 2.65567495445656 + 15.0880133447686 split increased to 2 itime 722094 + itsplit 1 + acceleration/energy drift too large 2.16350490198909 + 11.4767823983636 split increased to 2 itime 722428 + itsplit 1 + acceleration/energy drift too large 2.15690707487652 + 11.3328956959234 split increased to 2 itime 722967 + itsplit 1 + acceleration/energy drift too large 5.97179433211245 + 40.5769848113480 split increased to 2 itime 723118 + itsplit 1 + acceleration/energy drift too large 2.03192581473556 + 12.3029425492832 split increased to 2 itime 723298 + itsplit 1 + acceleration/energy drift too large 4.37978608946097 + 13.0289485268622 split increased to 2 itime 725763 + itsplit 1 + acceleration/energy drift too large 4.70746540846082 + 19.4115332750815 split increased to 2 itime 729651 + itsplit 1 +Velocities reset to random values, time 145999.80 + acceleration/energy drift too large 5.67933642369643 + 27.5545898543466 split increased to 2 itime 731182 + itsplit 1 + acceleration/energy drift too large 4.91044429163533 + 11.0650290855092 split increased to 2 itime 732689 + itsplit 1 + acceleration/energy drift too large 12.9313349885834 + 100.855055605818 split increased to 2 itime 732859 + itsplit 1 + acceleration/energy drift too large 5.40047850955713 + 21.0988120024570 split increased to 2 itime 734056 + itsplit 1 + acceleration/energy drift too large 5.95903448404934 + 17.2289731746325 split increased to 2 itime 737306 + itsplit 1 + acceleration/energy drift too large 6.10195582226718 + 15.5496311020804 split increased to 2 itime 739478 + itsplit 1 +Velocities reset to random values, time 147999.80 + acceleration/energy drift too large 3.29104758174081 + 14.9752252848966 split increased to 2 itime 741883 + itsplit 1 + acceleration/energy drift too large 6.83006285721295 + 22.3448230630498 split increased to 2 itime 744246 + itsplit 1 + acceleration/energy drift too large 5.20318600541056 + 16.5943072177434 split increased to 2 itime 748159 + itsplit 1 + acceleration/energy drift too large 4.91874754998559 + 16.9446576882692 split increased to 2 itime 748611 + itsplit 1 +Velocities reset to random values, time 149999.80 + acceleration/energy drift too large 4.90632846478618 + 12.3860408695595 split increased to 2 itime 751255 + itsplit 1 + acceleration/energy drift too large 2.13094731061705 + 11.6376590061327 split increased to 2 itime 751297 + itsplit 1 + acceleration/energy drift too large 3.14145091217738 + 10.5515283532828 split increased to 2 itime 752267 + itsplit 1 + acceleration/energy drift too large 3.20054215997908 + 10.2709420079259 split increased to 2 itime 754025 + itsplit 1 + acceleration/energy drift too large 4.36258999523956 + 10.6268256606986 split increased to 2 itime 754800 + itsplit 1 + acceleration/energy drift too large 4.89841056859108 + 11.0970275163120 split increased to 2 itime 758419 + itsplit 1 + acceleration/energy drift too large 6.50686821938340 + 24.8598229314704 split increased to 2 itime 759009 + itsplit 1 + acceleration/energy drift too large 4.87447668097329 + 15.2778211283157 split increased to 2 itime 759796 + itsplit 1 +Velocities reset to random values, time 151999.80 + acceleration/energy drift too large 7.55516668868715 + 26.1276470926576 split increased to 2 itime 760111 + itsplit 1 + acceleration/energy drift too large 4.38657781232892 + 12.3918964220736 split increased to 2 itime 762997 + itsplit 1 + acceleration/energy drift too large 5.44902172386597 + 25.2894990201077 split increased to 2 itime 764814 + itsplit 1 + acceleration/energy drift too large 4.17481262091874 + 14.5503151767629 split increased to 2 itime 765159 + itsplit 1 + acceleration/energy drift too large 7.10709340958972 + 20.8273817741899 split increased to 2 itime 766245 + itsplit 1 + acceleration/energy drift too large 1.99202461567939 + 11.5165242173635 split increased to 2 itime 766944 + itsplit 1 + acceleration/energy drift too large 10.7704259176221 + 59.1151013026033 split increased to 2 itime 768829 + itsplit 1 +Velocities reset to random values, time 153999.80 + acceleration/energy drift too large 5.56734469738377 + 11.8985602662016 split increased to 2 itime 772340 + itsplit 1 + acceleration/energy drift too large 6.87876777297084 + 13.4702023046572 split increased to 2 itime 772588 + itsplit 1 + acceleration/energy drift too large 3.12887624603101 + 23.8560634665886 split increased to 2 itime 774152 + itsplit 1 + acceleration/energy drift too large 8.13171328729888 + 21.1590630147549 split increased to 2 itime 777549 + itsplit 1 + acceleration/energy drift too large 5.66291753397399 + 13.1637639245027 split increased to 2 itime 778844 + itsplit 1 + acceleration/energy drift too large 3.03009952632132 + 10.0947303704778 split increased to 2 itime 779555 + itsplit 1 + acceleration/energy drift too large 6.24453833384427 + 16.5653679697955 split increased to 2 itime 779924 + itsplit 1 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 5.34219953382690 + 21.4856701496654 split increased to 2 itime 783634 + itsplit 1 + acceleration/energy drift too large 4.93612441773943 + 16.6268415803952 split increased to 2 itime 783995 + itsplit 1 + acceleration/energy drift too large 7.04852799570965 + 28.1098831525805 split increased to 2 itime 784894 + itsplit 1 + acceleration/energy drift too large 10.5130498736519 + 39.7610736528728 split increased to 2 itime 785437 + itsplit 1 + acceleration/energy drift too large 3.32516950419957 + 10.2036419622450 split increased to 2 itime 786886 + itsplit 1 + acceleration/energy drift too large 2.94948989509331 + 12.4765753196234 split increased to 2 itime 786963 + itsplit 1 + acceleration/energy drift too large 4.32448863635818 + 11.8264753727095 split increased to 2 itime 788845 + itsplit 1 + acceleration/energy drift too large 4.52540042756541 + 12.6614827064288 split increased to 2 itime 789268 + itsplit 1 +Velocities reset to random values, time 157999.80 + acceleration/energy drift too large 5.62149948857307 + 12.2612513625804 split increased to 2 itime 793341 + itsplit 1 + acceleration/energy drift too large 5.11499748938699 + 12.4045664173420 split increased to 2 itime 794942 + itsplit 1 + acceleration/energy drift too large 13.9429346987763 + 90.5408992953032 split increased to 2 itime 795090 + itsplit 1 + acceleration/energy drift too large 9.02888476170483 + 37.5845641189447 split increased to 2 itime 795311 + itsplit 1 + acceleration/energy drift too large 6.94264289745198 + 29.5273436000324 split increased to 2 itime 796331 + itsplit 1 + acceleration/energy drift too large 6.24721694829120 + 18.8469619626446 split increased to 2 itime 798177 + itsplit 1 + acceleration/energy drift too large 3.80713794876263 + 16.5316594353654 split increased to 2 itime 799235 + itsplit 1 +Velocities reset to random values, time 159999.80 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 284.714843750000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.37500 8 +ACC 2 260.00000 0.37500 8 +ACC 3 270.00000 0.62500 8 +ACC 4 280.00000 0.50000 8 +ACC 5 290.00000 0.37500 8 +ACC 6 300.00000 0.87500 8 +ACC 7 310.00000 0.37500 8 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.0144928350343 + 46.0587983630557 split increased to 2 itime 800184 + itsplit 1 + acceleration/energy drift too large 9.67913428379612 + 34.6125778474216 split increased to 2 itime 801078 + itsplit 1 + acceleration/energy drift too large 9.21822915315924 + 38.5430256778914 split increased to 2 itime 801252 + itsplit 1 + acceleration/energy drift too large 3.67098221682610 + 10.8190379030996 split increased to 2 itime 801610 + itsplit 1 + acceleration/energy drift too large 7.46207851205996 + 21.8674945487901 split increased to 2 itime 801703 + itsplit 1 + acceleration/energy drift too large 4.22127223841129 + 10.6341862990473 split increased to 2 itime 802426 + itsplit 1 + acceleration/energy drift too large 5.92361270627371 + 20.5542569512312 split increased to 2 itime 802493 + itsplit 1 + acceleration/energy drift too large 3.67889473156751 + 17.9970430020042 split increased to 2 itime 803169 + itsplit 1 + acceleration/energy drift too large 4.84987462231309 + 22.0695578112414 split increased to 2 itime 803170 + itsplit 1 + acceleration/energy drift too large 2.80880270899010 + 11.6125877540408 split increased to 2 itime 803173 + itsplit 1 + acceleration/energy drift too large 2.20069399925816 + 11.7540052799904 split increased to 2 itime 803175 + itsplit 1 + acceleration/energy drift too large 1.93841311218965 + 10.9673103458157 split increased to 2 itime 803188 + itsplit 1 + acceleration/energy drift too large 3.74890290266633 + 10.5486545721318 split increased to 2 itime 804154 + itsplit 1 + acceleration/energy drift too large 2.02720356783407 + 10.7992613063375 split increased to 2 itime 804449 + itsplit 1 + acceleration/energy drift too large 3.98562293117618 + 11.7553732630033 split increased to 2 itime 809902 + itsplit 1 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 4.87096072638309 + 11.0529459915446 split increased to 2 itime 810039 + itsplit 1 + acceleration/energy drift too large 8.68373774528801 + 36.1761213781448 split increased to 2 itime 810230 + itsplit 1 + acceleration/energy drift too large 2.57542470724827 + 13.8931363367199 split increased to 2 itime 810750 + itsplit 1 + acceleration/energy drift too large 6.00809410175134 + 16.9402968357086 split increased to 2 itime 811054 + itsplit 1 + acceleration/energy drift too large 8.44652581265838 + 36.5064080816514 split increased to 2 itime 815721 + itsplit 1 + acceleration/energy drift too large 4.33950604697843 + 15.5786657428535 split increased to 2 itime 815935 + itsplit 1 + acceleration/energy drift too large 5.11413516920619 + 14.0176182280197 split increased to 2 itime 816204 + itsplit 1 + acceleration/energy drift too large 4.19454483712278 + 13.9354615863791 split increased to 2 itime 818031 + itsplit 1 + acceleration/energy drift too large 4.91974594897374 + 13.7280143898247 split increased to 2 itime 818611 + itsplit 1 + acceleration/energy drift too large 9.87312029791632 + 47.4730941113071 split increased to 2 itime 819993 + itsplit 1 +Velocities reset to random values, time 163999.80 + acceleration/energy drift too large 15.9377741735990 + 109.981516963496 split increased to 2 itime 821120 + itsplit 1 + acceleration/energy drift too large 6.63074424140523 + 18.0853507699415 split increased to 2 itime 823678 + itsplit 1 + acceleration/energy drift too large 10.9591344221380 + 47.1431574731655 split increased to 2 itime 824191 + itsplit 1 + acceleration/energy drift too large 9.25693752368486 + 39.1341075826864 split increased to 2 itime 824789 + itsplit 1 + acceleration/energy drift too large 8.71849456054369 + 48.4489544063948 split increased to 2 itime 824966 + itsplit 1 + acceleration/energy drift too large 3.08827201160116 + 11.0151583449631 split increased to 2 itime 825055 + itsplit 1 + acceleration/energy drift too large 4.56866495478599 + 10.8991465341668 split increased to 2 itime 825258 + itsplit 1 + acceleration/energy drift too large 5.25658901429289 + 12.4805350901147 split increased to 2 itime 825714 + itsplit 1 + acceleration/energy drift too large 4.39111907265103 + 14.4790466575285 split increased to 2 itime 825921 + itsplit 1 + acceleration/energy drift too large 3.24206116704603 + 11.3722546117671 split increased to 2 itime 827097 + itsplit 1 + acceleration/energy drift too large 8.51993720113998 + 30.6829649707022 split increased to 2 itime 828015 + itsplit 1 +Velocities reset to random values, time 165999.80 + acceleration/energy drift too large 6.42081101076982 + 13.0099269447534 split increased to 2 itime 830819 + itsplit 1 + acceleration/energy drift too large 1.80776064873616 + 12.7339395517631 split increased to 2 itime 832377 + itsplit 1 + acceleration/energy drift too large 4.38988888384274 + 10.5957972553764 split increased to 2 itime 835491 + itsplit 1 + acceleration/energy drift too large 5.89014982060224 + 19.0520818918456 split increased to 2 itime 837427 + itsplit 1 + acceleration/energy drift too large 4.50201334973297 + 13.8031191957497 split increased to 2 itime 838631 + itsplit 1 + acceleration/energy drift too large 5.35229876809666 + 16.2490178645464 split increased to 2 itime 838981 + itsplit 1 + acceleration/energy drift too large 4.34739476454139 + 12.0288458334222 split increased to 2 itime 839489 + itsplit 1 + acceleration/energy drift too large 3.52465961063615 + 29.2643078228743 split increased to 2 itime 839626 + itsplit 1 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 5.31246185846708 + 13.2134611432005 split increased to 2 itime 844267 + itsplit 1 + acceleration/energy drift too large 4.22856339790588 + 14.1090669451684 split increased to 2 itime 844314 + itsplit 1 + acceleration/energy drift too large 4.49850003855273 + 12.9163836747232 split increased to 2 itime 845704 + itsplit 1 + acceleration/energy drift too large 6.30249494047512 + 28.5434324617584 split increased to 2 itime 846302 + itsplit 1 + acceleration/energy drift too large 6.16627206706531 + 16.1676641049598 split increased to 2 itime 848318 + itsplit 1 + acceleration/energy drift too large 6.66465120740014 + 12.4535768412289 split increased to 2 itime 848319 + itsplit 1 + acceleration/energy drift too large 2.60168164857416 + 10.4093413097888 split increased to 2 itime 848695 + itsplit 1 + acceleration/energy drift too large 5.26486794470177 + 18.9598815595068 split increased to 2 itime 849188 + itsplit 1 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 13.0298598742974 + 81.2739308835526 split increased to 2 itime 852754 + itsplit 1 + acceleration/energy drift too large 2.67524326156509 + 10.4738163225106 split increased to 2 itime 853951 + itsplit 1 + acceleration/energy drift too large 8.11850618245344 + 29.5064693231293 split increased to 2 itime 854001 + itsplit 1 + acceleration/energy drift too large 4.33256648949501 + 15.1909652602891 split increased to 2 itime 854838 + itsplit 1 + acceleration/energy drift too large 4.89987181187006 + 13.3045706312367 split increased to 2 itime 855379 + itsplit 1 + acceleration/energy drift too large 5.21325164170653 + 13.6051554895195 split increased to 2 itime 856375 + itsplit 1 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 5.62253943151261 + 12.0553154785889 split increased to 2 itime 861835 + itsplit 1 + acceleration/energy drift too large 11.5098905658010 + 64.1297798385964 split increased to 2 itime 864256 + itsplit 1 + acceleration/energy drift too large 5.95422846572068 + 24.4111412286555 split increased to 2 itime 864867 + itsplit 1 + acceleration/energy drift too large 10.0059611936565 + 48.6694628288689 split increased to 2 itime 864939 + itsplit 1 + acceleration/energy drift too large 6.07239160356396 + 18.1367592963171 split increased to 2 itime 864943 + itsplit 1 + acceleration/energy drift too large 6.79703251635262 + 28.0780028472701 split increased to 2 itime 864997 + itsplit 1 + acceleration/energy drift too large 6.44054448083824 + 25.6458618868649 split increased to 2 itime 865365 + itsplit 1 + acceleration/energy drift too large 12.8479733705808 + 82.3356861497736 split increased to 2 itime 865795 + itsplit 1 + acceleration/energy drift too large 5.67198100582150 + 14.3635669094613 split increased to 2 itime 867993 + itsplit 1 + acceleration/energy drift too large 2.55873507151801 + 13.5959987744691 split increased to 4 itime 867993 + itsplit 1 + acceleration/energy drift too large 6.66925046678723 + 20.7174585512437 split increased to 2 itime 868118 + itsplit 1 + acceleration/energy drift too large 4.85842984150068 + 13.7407619414036 split increased to 2 itime 868119 + itsplit 1 + acceleration/energy drift too large 6.18123136936699 + 21.0148994320121 split increased to 2 itime 868502 + itsplit 1 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 4.09960289409584 + 11.6845142764567 split increased to 2 itime 870938 + itsplit 1 + acceleration/energy drift too large 11.8856629740383 + 55.6837205809688 split increased to 2 itime 871743 + itsplit 1 + acceleration/energy drift too large 2.77141098975897 + 18.7426992074569 split increased to 2 itime 872184 + itsplit 1 + acceleration/energy drift too large 5.58055059921596 + 21.5082750442444 split increased to 2 itime 876225 + itsplit 1 + acceleration/energy drift too large 7.07838364728875 + 23.3185474257782 split increased to 2 itime 879149 + itsplit 1 +Velocities reset to random values, time 175999.80 + acceleration/energy drift too large 6.06450737161128 + 13.8408393935212 split increased to 2 itime 880213 + itsplit 1 + acceleration/energy drift too large 2.44083328422809 + 12.1873872312791 split increased to 2 itime 880617 + itsplit 1 + acceleration/energy drift too large 5.70632419071672 + 22.5344102485511 split increased to 2 itime 881321 + itsplit 1 + acceleration/energy drift too large 11.1364225980696 + 52.9374407554207 split increased to 2 itime 882624 + itsplit 1 + acceleration/energy drift too large 2.69404868633411 + 25.0314716667771 split increased to 2 itime 882625 + itsplit 1 + acceleration/energy drift too large 4.07903262043377 + 15.9981522958248 split increased to 2 itime 882991 + itsplit 1 + acceleration/energy drift too large 2.37776622328486 + 14.9803005430461 split increased to 2 itime 883565 + itsplit 1 + acceleration/energy drift too large 4.49678843943006 + 16.5047470689385 split increased to 2 itime 883611 + itsplit 1 + acceleration/energy drift too large 3.78563460593629 + 10.1430873009548 split increased to 2 itime 884211 + itsplit 1 + acceleration/energy drift too large 7.01878127577334 + 25.0847236387067 split increased to 2 itime 886074 + itsplit 1 + acceleration/energy drift too large 3.80158872123838 + 10.2068109271512 split increased to 2 itime 886373 + itsplit 1 + acceleration/energy drift too large 4.28239650572156 + 11.2597787978187 split increased to 2 itime 886596 + itsplit 1 + acceleration/energy drift too large 5.40465436969291 + 28.6547312076001 split increased to 2 itime 887871 + itsplit 1 + acceleration/energy drift too large 4.31923143103046 + 24.3273951567461 split increased to 2 itime 888818 + itsplit 1 + acceleration/energy drift too large 4.72528147016538 + 12.9551567293694 split increased to 2 itime 889722 + itsplit 1 + acceleration/energy drift too large 5.46098934370341 + 20.6799348266644 split increased to 2 itime 889962 + itsplit 1 +Velocities reset to random values, time 177999.80 + acceleration/energy drift too large 7.51819480280164 + 29.1817566363804 split increased to 2 itime 892426 + itsplit 1 + acceleration/energy drift too large 5.97703001722951 + 23.9506153447269 split increased to 2 itime 892798 + itsplit 1 + acceleration/energy drift too large 5.60817642161658 + 14.9382905827300 split increased to 2 itime 893794 + itsplit 1 + acceleration/energy drift too large 4.67524066026650 + 22.3634233745264 split increased to 2 itime 894416 + itsplit 1 + acceleration/energy drift too large 3.60360993414457 + 10.3499576745828 split increased to 2 itime 894474 + itsplit 1 + acceleration/energy drift too large 5.34485999833850 + 15.9867071301139 split increased to 2 itime 894852 + itsplit 1 + acceleration/energy drift too large 2.16109195155465 + 11.7355654251027 split increased to 2 itime 895621 + itsplit 1 + acceleration/energy drift too large 7.31402839055161 + 24.9696298679990 split increased to 2 itime 896353 + itsplit 1 + acceleration/energy drift too large 3.99662110447582 + 11.7729831903406 split increased to 2 itime 897081 + itsplit 1 + acceleration/energy drift too large 2.62587035061923 + 10.5111213158179 split increased to 2 itime 897608 + itsplit 1 + acceleration/energy drift too large 3.30003708238771 + 13.2445009837186 split increased to 2 itime 897702 + itsplit 1 + acceleration/energy drift too large 6.88890173447555 + 23.3801083945728 split increased to 2 itime 899814 + itsplit 1 +Velocities reset to random values, time 179999.80 + REMD synchro at 900000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 320.140625000000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.44444 9 +ACC 2 260.00000 0.33333 9 +ACC 3 270.00000 0.66667 9 +ACC 4 280.00000 0.44444 9 +ACC 5 290.00000 0.33333 9 +ACC 6 300.00000 0.88889 9 +ACC 7 310.00000 0.44444 9 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 4.02102462039751 + 15.5158845418606 split increased to 2 itime 900017 + itsplit 1 + acceleration/energy drift too large 9.95066889248625 + 38.2856474988534 split increased to 2 itime 900631 + itsplit 1 + acceleration/energy drift too large 7.26772023845555 + 19.7873137722317 split increased to 2 itime 901933 + itsplit 1 + acceleration/energy drift too large 5.53284030360315 + 14.9272744165065 split increased to 2 itime 904350 + itsplit 1 + acceleration/energy drift too large 5.92931777397568 + 12.2224770238185 split increased to 2 itime 904769 + itsplit 1 + acceleration/energy drift too large 3.61806117379579 + 11.2035566868003 split increased to 2 itime 905337 + itsplit 1 + acceleration/energy drift too large 3.65666446572350 + 12.0245910820428 split increased to 2 itime 905566 + itsplit 1 + acceleration/energy drift too large 4.81188412293407 + 27.1815982405668 split increased to 2 itime 905770 + itsplit 1 + acceleration/energy drift too large 9.44011008821913 + 44.6930462719070 split increased to 2 itime 907564 + itsplit 1 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 3.47935913884670 + 10.9130364521585 split increased to 2 itime 910167 + itsplit 1 + acceleration/energy drift too large 5.86804986697991 + 19.7405569363795 split increased to 2 itime 911148 + itsplit 1 + acceleration/energy drift too large 7.39829212836566 + 29.5947845868958 split increased to 2 itime 911179 + itsplit 1 + acceleration/energy drift too large 4.74640450390593 + 14.6558230328883 split increased to 2 itime 916329 + itsplit 1 +Velocities reset to random values, time 183999.80 + acceleration/energy drift too large 8.33768525225879 + 26.7601376909023 split increased to 2 itime 923259 + itsplit 1 + acceleration/energy drift too large 5.00286295485396 + 12.2284963291578 split increased to 2 itime 924468 + itsplit 1 + acceleration/energy drift too large 4.36210392322541 + 11.1720820582765 split increased to 2 itime 924764 + itsplit 1 + acceleration/energy drift too large 4.80276280133636 + 10.0655805737303 split increased to 2 itime 924779 + itsplit 1 + acceleration/energy drift too large 4.73355568731303 + 11.0876632017267 split increased to 2 itime 927814 + itsplit 1 + acceleration/energy drift too large 4.52771871998047 + 15.7437500710010 split increased to 2 itime 928160 + itsplit 1 + acceleration/energy drift too large 5.88902423847263 + 13.7197167541697 split increased to 2 itime 928574 + itsplit 1 + acceleration/energy drift too large 2.52971815358813 + 10.5499573088917 split increased to 2 itime 928749 + itsplit 1 + acceleration/energy drift too large 4.42766245048050 + 13.6332822550316 split increased to 2 itime 928938 + itsplit 1 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 5.78894535827073 + 16.5242636974396 split increased to 2 itime 930990 + itsplit 1 + acceleration/energy drift too large 5.46936648282992 + 10.8571743406201 split increased to 2 itime 934518 + itsplit 1 + acceleration/energy drift too large 11.1896592795188 + 63.2275259316027 split increased to 2 itime 935252 + itsplit 1 + acceleration/energy drift too large 5.58366120202778 + 12.3270695292112 split increased to 2 itime 936712 + itsplit 1 + acceleration/energy drift too large 4.87183193633604 + 15.3028708793998 split increased to 2 itime 937239 + itsplit 1 + acceleration/energy drift too large 5.35894933532379 + 15.5574215129715 split increased to 2 itime 939834 + itsplit 1 +Velocities reset to random values, time 187999.80 + acceleration/energy drift too large 8.75652205516846 + 42.3448020237503 split increased to 2 itime 940032 + itsplit 1 + acceleration/energy drift too large 4.16581971210663 + 12.0111211699114 split increased to 2 itime 940312 + itsplit 1 + acceleration/energy drift too large 9.09327995154482 + 44.3598102183579 split increased to 2 itime 941006 + itsplit 1 + acceleration/energy drift too large 9.79209629953121 + 34.4151974769309 split increased to 2 itime 944800 + itsplit 1 + acceleration/energy drift too large 4.79085823006709 + 15.3570669671860 split increased to 2 itime 945143 + itsplit 1 + acceleration/energy drift too large 5.62119810150331 + 11.4946190870664 split increased to 2 itime 947983 + itsplit 1 +Velocities reset to random values, time 189999.80 + acceleration/energy drift too large 9.01260765622814 + 36.8040462033477 split increased to 2 itime 952088 + itsplit 1 + acceleration/energy drift too large 4.28631414665599 + 10.9544997348908 split increased to 2 itime 953933 + itsplit 1 + acceleration/energy drift too large 5.88006558337162 + 21.0222544784692 split increased to 2 itime 954315 + itsplit 1 + acceleration/energy drift too large 12.5318100842654 + 64.0937037898180 split increased to 2 itime 954517 + itsplit 1 + acceleration/energy drift too large 7.61431887221103 + 32.9230559357062 split increased to 2 itime 956060 + itsplit 1 + acceleration/energy drift too large 6.83413599917343 + 21.8122442133075 split increased to 2 itime 957034 + itsplit 1 + acceleration/energy drift too large 4.57167773729675 + 13.7163921298763 split increased to 2 itime 957164 + itsplit 1 + acceleration/energy drift too large 5.93638867619750 + 24.2036767077889 split increased to 2 itime 958494 + itsplit 1 + acceleration/energy drift too large 3.73557581742689 + 10.6697998114572 split increased to 2 itime 959669 + itsplit 1 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 4.95370891254555 + 14.5871931769989 split increased to 2 itime 966265 + itsplit 1 + acceleration/energy drift too large 5.14283888419026 + 11.6176509719937 split increased to 2 itime 968672 + itsplit 1 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 2.54722250202266 + 14.7736679081352 split increased to 2 itime 970031 + itsplit 1 + acceleration/energy drift too large 5.90736879035105 + 17.6400505547968 split increased to 2 itime 970191 + itsplit 1 + acceleration/energy drift too large 4.12138474641927 + 11.2089675568162 split increased to 2 itime 970527 + itsplit 1 + acceleration/energy drift too large 6.35086336317172 + 17.7636912400641 split increased to 2 itime 972353 + itsplit 1 + acceleration/energy drift too large 2.80461369830794 + 17.3370195842921 split increased to 2 itime 974770 + itsplit 1 + acceleration/energy drift too large 5.99120168771684 + 17.1668066777551 split increased to 2 itime 975322 + itsplit 1 + acceleration/energy drift too large 4.78121785476616 + 14.8037195282929 split increased to 2 itime 977016 + itsplit 1 +Velocities reset to random values, time 195999.80 + acceleration/energy drift too large 5.09403158216797 + 11.1473384486920 split increased to 2 itime 982021 + itsplit 1 + acceleration/energy drift too large 12.7596230209904 + 81.6811570703305 split increased to 2 itime 983781 + itsplit 1 + acceleration/energy drift too large 4.32252378337932 + 12.2900658605979 split increased to 2 itime 984232 + itsplit 1 + acceleration/energy drift too large 5.23070207836692 + 12.8880537984517 split increased to 2 itime 988098 + itsplit 1 + acceleration/energy drift too large 4.96756691083512 + 15.0476790121644 split increased to 2 itime 988443 + itsplit 1 + acceleration/energy drift too large 5.78320807262524 + 15.1155532952766 split increased to 2 itime 989460 + itsplit 1 +Velocities reset to random values, time 197999.80 + acceleration/energy drift too large 10.1399894277332 + 45.3787328975799 split increased to 2 itime 990530 + itsplit 1 + acceleration/energy drift too large 6.88354063519417 + 20.6503767723630 split increased to 2 itime 990706 + itsplit 1 + acceleration/energy drift too large 7.20759831085889 + 20.0281551376275 split increased to 2 itime 991951 + itsplit 1 + acceleration/energy drift too large 5.95745404256432 + 17.9047913882102 split increased to 2 itime 993004 + itsplit 1 + acceleration/energy drift too large 4.12246249496279 + 14.0634875512511 split increased to 2 itime 993765 + itsplit 1 + acceleration/energy drift too large 8.15505785233677 + 31.0777528362094 split increased to 2 itime 998681 + itsplit 1 + acceleration/energy drift too large 3.10210845850870 + 14.5772770062321 split increased to 2 itime 998682 + itsplit 1 +Velocities reset to random values, time 199999.80 + REMD synchro at 1000000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + writing restart at the end of run + + +=================================== Timing =================================== + + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.33598E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.55590E+02 + + +============================ End of MD calculation =========================== +CG processor 0 is finishing work. + Total wall clock time 355.636718750000 sec