ctest/1l2y_MIN_REGULAR_INT.inp

   1 1L2Y regularize internal coordinates starting from pdb
   2 SEED=-3059743 minimize regular pdbstart pdbref refstr rescale_mode=2
   3 print_min_ini print_min_res print_min_stat MAXMIN=3000 MAXFUN=3500
   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 1L2Y.pdb
  10  0
  11  0