X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa_newcorr%2Fcheckgrad_dfa.inp;h=6995c167fc26627555a0e6d91624d795f89a55a6;hb=373aa6f0a2f16a8dda57c0c8a42259d57303f6f9;hp=d643f08d6f27dff27a42984391a971427fb593fb;hpb=8a82a631896b6836d51fc017ea1845c6cb2dd78f;p=unres.git diff --git a/ctest/dfa_newcorr/checkgrad_dfa.inp b/ctest/dfa_newcorr/checkgrad_dfa.inp index d643f08..6995c16 100644 --- a/ctest/dfa_newcorr/checkgrad_dfa.inp +++ b/ctest/dfa_newcorr/checkgrad_dfa.inp @@ -5,7 +5,7 @@ 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 & WCORR6=0.00000 WEL_LOC=0.036638 WTURN3=1.45110 WTURN4=0.00000 WTURN6=0.00000 & WSCCOR=0.00000 WVDWPP=0.33393 WHPB=1.00000 WSCP14=0.00000 & -WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0 & +WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=0.0 & CUTOFF=7.00000 WCORR4=0.00000 ./model01.pdb 0