ctest/prota_CHECKGRAD.inp

   1 Test of cartesian gradient - 1bdd - pdbstart unres_pdb
   2 SEED=-3059743 pdbstart pdbref refstr rescale_mode=2 unres_pdb checkgrad cart
   3 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
   4 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
   5 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
   6 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
   7 CUTOFF=7.00000 WCORR4=0.00000
   8 prota_unres.pdb
   9  0
  10  0
  11 0 0 0 0
  12 300.0