X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1L2Y_remd.inp;h=1cc66343c0a6156d38de96910c52bf5c4d56a9a9;hb=7eff63f792545f57fb86a8f2c0a2d37243d344a6;hp=35d6493163b328a572f32a122e41686075e48651;hpb=c14377021868e1be540e30d301c967d377da4f35;p=unres.git diff --git a/ctest/1L2Y_remd.inp b/ctest/1L2Y_remd.inp index 35d6493..1cc6634 100644 --- a/ctest/1L2Y_remd.inp +++ b/ctest/1L2Y_remd.inp @@ -6,7 +6,7 @@ nrep=8 nstex=1000 tlist mlist traj1file rest1file sync nsyn=1000 240 260 280 300 320 340 360 390 1 1 1 1 1 1 1 1 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