Merge branch 'devel' into feature-ga

[unres.git] / examples / unres / MIN / 1L2Y_min.inp

diff --git a/examples/unres/MIN/1L2Y_min.inp b/examples/unres/MIN/1L2Y_min.inp
new file mode 100644 (file)
index 0000000..9372f63
--- /dev/null
+++ b/examples/unres/MIN/1L2Y_min.inp
@@ -0,0 +1,12 @@
+1L2Y ff_1l2y_1le1
+SEED=-3059743 PDBREF MINIMIZE CART RESCALE_MODE=0 PDBSTART OVERLAP NOSEARCHSC  &
+PDBOUT
+MAXMIN=2000 MAXFUN=5000
+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        &
+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                                         &
+CUTOFF=7.00000 WCORR4=0.00000
+1L2Y.pdb
+ 0
+ 0