ctest/dfa_newcorr/checkgrad_dfa.inp

   1 dfa checkgrad cart
   2 SEED=-3059743 rescale_mode=2 one_letter PDBSTART timlim=2800.0                 &
   3 CONSTR_HOMOL=8 PDBREF REFSTR checkgrad cart 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 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
   9 CUTOFF=7.00000 WCORR4=0.00000
  10 ./model01.pdb
  11 0
  12 0
  13 HOMOL_DIST=0.50 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0    &
  14 READ2SIGMA START_FROM_MODELS
  15 model01.pdb
  16 model02.pdb
  17 model03.pdb
  18 model04.pdb
  19 model05.pdb
  20 model06.pdb
  21 model07.pdb
  22 model08.pdb
  23 0 0 0 0
  24 300.0