ctest/dock/cluster.inp

   1 2wfu UNRES-Dock
   2 nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0  ncut=0   &
   3  CONSTR_HOMOL=8 pdbref                                                         &
   4 BOXX=78.90 BOXY=78.90 BOXZ=78.90
   5 WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954              &
   6 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
   7 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
   8 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
   9 CUTOFF=7.00000 WCORR4=0.00000
  10 GVVDSCCRNSCSFSTLRAYCDSXXNSLRACGPALMDMLRVACPNGFNSX
  11 0
  12 HOMOL_DIST=0.1    HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0  &
  13 READ2SIGMA
  14 model01.pdb
  15 model02.pdb
  16 model03.pdb
  17 model04.pdb
  18 model05.pdb
  19 model06.pdb
  20 model07.pdb
  21 model08.pdb
  22 plik1ter.pdb