X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1l2y_MIN_REGULAR_INT.inp;h=080fe8eea5992075ac95e158f9f37d9069332b32;hb=f4fee4f336542f1e52bca12b8d97c42f60156b5d;hp=7fad72943071eeb23a3cd5107964242101c1da18;hpb=8d360cbf806edd2d65198edb005954ddc46cca01;p=unres.git diff --git a/ctest/1l2y_MIN_REGULAR_INT.inp b/ctest/1l2y_MIN_REGULAR_INT.inp index 7fad729..080fe8e 100644 --- a/ctest/1l2y_MIN_REGULAR_INT.inp +++ b/ctest/1l2y_MIN_REGULAR_INT.inp @@ -2,9 +2,9 @@ SEED=-3059743 minimize regular pdbstart pdbref refstr rescale_mode=2 print_min_ini print_min_res print_min_stat MAXMIN=3000 MAXFUN=3500 WLONG=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=0.0 & +WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 & CUTOFF=7.00000 WCORR4=0.00000 1L2Y.pdb 0