dynamic disulfides are working again in md

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

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
index fa6b595..33d2744 100644 (file)
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
@@ -1,6 +1,6 @@
 small
 SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB 
-nstep=50000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
+nstep=500    dt=0.1 ntwe=1     ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
 reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB  PRINT_COMPON rest  &
 
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &