X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock_newcorr%2Fcluster.inp;h=d8f3c27ad6bd8f0760901655050687bd3f704c8a;hb=3a6c6a2663a9647269e63106ffa3b9dc9a437027;hp=16392fe7a76f72f56401e796f78ed677968f564b;hpb=3cb6df0b08787ad73703a15f92134f5ead5326a4;p=unres.git diff --git a/ctest/dock_newcorr/cluster.inp b/ctest/dock_newcorr/cluster.inp index 16392fe..d8f3c27 100644 --- a/ctest/dock_newcorr/cluster.inp +++ b/ctest/dock_newcorr/cluster.inp @@ -1,6 +1,6 @@ 2wfu UNRES-Dock nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0 ncut=0 & - CONSTR_HOMOL=8 tormode=2 pdbref & + CONSTR_HOMOL=8 tormode=2 pdbref & BOXX=78.90 BOXY=78.90 BOXZ=78.90 WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730 & WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000 &