ctest wham and cluster_wham correction

[unres.git] / ctest / 1L2Y_clust.inp

diff --git a/ctest/1L2Y_clust.inp b/ctest/1L2Y_clust.inp
index ef80c72..a08fcb8 100644 (file)
--- 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