ctest/1DKZcut-checkgrad.inp

   1 multichain energy test
   2 SEED=-3059743 PDBSTART REFSTR PDBREF PDBOUT DISTCHAINMAX=100 checkgrad cart    &
   3 delta=1.0e-4
   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 CUTOFF=7.00000 WCORR4=0.00000
   9 ./1dkz_cut.pdb
  10 0
  11 0
  12 0 0 0 0
  13 300.0