X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2F1l2y_csa.inp;h=f66f1ae05f8148ecfae3ddc33632c375f0c5affe;hb=3d130386b04df0c07458eca371b08b2b022c830c;hp=5c6fc33dd1a972dd33f5def15a52be07f39accce;hpb=973e30c3fc3444f4e49450c68a510ce149896509;p=unres.git diff --git a/examples/unres/CSA/4P/1l2y_csa.inp b/examples/unres/CSA/4P/1l2y_csa.inp index 5c6fc33..f66f1ae 100644 --- a/examples/unres/CSA/4P/1l2y_csa.inp +++ b/examples/unres/CSA/4P/1l2y_csa.inp @@ -8,7 +8,7 @@ ICMAX=1 IUCUT=2 NBANKM=200 WLONG=1.00000 WSCP=2.73684 WELEC=0.06833 WANG=4.15526 WSCLOC=0.16761 & WTOR=2.99546 WTORD=2.89720 WCORRH=1.98989 WCORR5=0.00000 WCORR6=0.00000 & WEL_LOC=1.60072 WTURN3=2.36351 WTURN4=1.34051 WTURN6=0.00000 & -WSCCOR=0.0 & +WSCCOR=0.1 & CUTOFF=7.00000 WCORR4=0.00000 22 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO