dynamic disulfides are working again in md

[unres.git] / examples / unres / new / MD / DYN_SS / dyn_ss_from_pdb / checkgrad / small.inp

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp
new file mode 100644 (file)
index 0000000..af83513
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp
@@ -0,0 +1,13 @@
+small
+SEED=-1111333 CHECKGRAD CART ONE_LETTER pdbstart UNRES_PDB 
+WLONG=1.00000 WSCP=0.00000 WELEC=0.00000 WBOND=0.00000 WANG=0.00000            &
+WSCLOC=0.00000 WTOR=0.00000 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.00000 WTURN3=0.00000 WTURN4=0.00000 WTURN6=0.00000    &
+WVDWPP=0.00000 WHPB=0.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss
+ss.pdb
+2 5 14
+0 5 14
+ 0
+0 0 0 0
+300