ctest/dfa/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
   4 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
   5 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
   6 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
   7 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
   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