examples/unres/MD/microcanonical/DYN_SS/small.inp

   1 small hth example with ssbond forming and breaking
   2 SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB
   3 nstep=100000  dt=0.01 ntwe=100   ntwx=500   lang=0     t_bath=300              &
   4 reset_moment=0    reset_vel=0 damax=5.0 MDPDB  PRINT_COMPON
   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 dyn_ss
  10 a.pdb
  11 2 5 14
  12 0
  13 0