examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp

   1 1L2Y microcanonical simulation with VTS algorithm in ff_gab
   2 SEED=-3059743 PDBSTART PDBREF MD RESCALE_MODE=2
   3 nstep=1000000  ntwe=10000 ntwx=10000  dt=0.01 damax=20.0 dvmax=20.0 lang=0     &
   4 t_bath=300 reset_vel=0
   5 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
   6 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
   7 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
   8 WVDWPP=0.11371 WHPB=1.00000                                                    &
   9 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
  10 ../../../1L2Y.pdb
  11  0
  12  0