ctest wsccor 0.25 wtor 1.34316 in all tests
[unres.git] / ctest / 1l2y_MIN_INT.inp
index 4789a17..ce41e67 100644 (file)
@@ -2,9 +2,9 @@
 SEED=-3059743 minimize pdbref refstr rescale_mode=2 overlap nosearchsc
 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
 22