ctest/prota_ENE.inp

   1 Test energii - 1bdd - pdbstart
   2 SEED=-3059743 energy pdbstart pdbref refstr rescale_mode=2
   3 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
   4 WSCLOC=0.10554 WTOR=1.84316 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=0.0                                         &
   7 CUTOFF=7.00000 WCORR4=0.00000
   8 prota.pdb
   9  0
  10  0