examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp

   1 small
   2 SEED=-1111333 CHECKGRAD CART ONE_LETTER pdbstart UNRES_PDB
   3 WLONG=1.00000 WSCP=0.00000 WELEC=0.00000 WBOND=0.00000 WANG=0.00000            &
   4 WSCLOC=0.00000 WTOR=0.00000 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000        &
   5 WCORR6=0.00000 WEL_LOC=0.00000 WTURN3=0.00000 WTURN4=0.00000 WTURN6=0.00000    &
   6 WVDWPP=0.00000 WHPB=0.00000                                                    &
   7 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss
   8 ss.pdb
   9 2 5 14
  10 0 5 14
  11  0
  12 0 0 0 0
  13 300