X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_MIN_CART.inp;h=7d1f3a0461c35cf62f0876d3ca72105ed5ce65ed;hb=dd278a04b418a0d8afd009d03dada9d5096c01db;hp=f04fc512c1b00da9b4b1e778b139b26c1f75d5c7;hpb=ffb060c42bc9686cd2ab189e5f1c8fc4f5da25aa;p=unres.git diff --git a/ctest/prota_MIN_CART.inp b/ctest/prota_MIN_CART.inp index f04fc51..7d1f3a0 100644 --- a/ctest/prota_MIN_CART.inp +++ b/ctest/prota_MIN_CART.inp @@ -3,9 +3,9 @@ SEED=-3059743 minimize pdbstart pdbref refstr rescale_mode=2 cart overlap & nosearchsc print_min_ini print_min_res print_min_stat MAXMIN=10000 MAXFUN=15000 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 prota.pdb 0