ctest/newcorr/Ts866_checkgrad_full.inp

   1 Ts866 HREMD simulation
   2 SEED=-3059743 checkgrad cart rescale_mode=2 one_letter PDBSTART timlim=4200.0  &
   3 CONSTR_HOMOL=13 PDBREF REFSTR delta=1.0e-4 tormode=2
   4 WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730              &
   5 WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000       &
   6 WCORR6=0.00000 WEL_LOC=0.036638 WTURN3=1.45110 WTURN4=0.00000 WTURN6=0.00000   &
   7 WSCCOR=0.00000 WVDWPP=0.33393 WHPB=1.00000 WSCP14=0.00000                      &
   8 CUTOFF=7.00000 WCORR4=0.00000
   9 ./model01.pdb
  10 0
  11 0
  12 HOMOL_DIST=1.00 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0    &
  13 READ2SIGMA START_FROM_MODELS
  14 ./model01.pdb
  15 ./model02.pdb
  16 ./model03.pdb
  17 ./model04.pdb
  18 ./model05.pdb
  19 ./model06.pdb
  20 ./model07.pdb
  21 ./model08.pdb
  22 ./model09.pdb
  23 ./model10.pdb
  24 ./model11.pdb
  25 ./model12.pdb
  26 ./model13.pdb
  27 0 0 0 0
  28 300.0