X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1L2Y_clust.inp;h=a08fcb8988dab2225abae0d6ff459f69b176dce3;hb=7eff63f792545f57fb86a8f2c0a2d37243d344a6;hp=ef80c7279f5370d8051ae1a5be609e040f30f9aa;hpb=1d0e9dcb6fac90939a171f88b44ec03c40e7d40a;p=unres.git diff --git a/ctest/1L2Y_clust.inp b/ctest/1L2Y_clust.inp index ef80c72..a08fcb8 100644 --- a/ctest/1L2Y_clust.inp +++ b/ctest/1L2Y_clust.inp @@ -2,7 +2,7 @@ nres=22 n_ene=18 ncut=1 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 & iopt=1 temper=280 one_letter WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 & -WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & +WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 & WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 & CUTOFF=7.00000 WCORR4=0.00000