UNRES-Dock example output

[unres.git] / examples / UNRES-Dock / unres_example.inp

diff --git a/examples/UNRES-Dock/unres_example.inp b/examples/UNRES-Dock/unres_example.inp
index a33947d..5d64d8f 100644 (file)
--- a/examples/UNRES-Dock/unres_example.inp
+++ b/examples/UNRES-Dock/unres_example.inp
@@ -1,9 +1,8 @@
 Multi MREMD
 SEED=-3059743 RE rescale_mode=2            PDBSTART timlim=4100.0              &
 CONSTR_HOMOL=24 pdbref refstr BOXX=boxxx BOXY=boxxx BOXZ=boxxx
-nstep=500000    dt=0.2 ntwe=2500  ntwx=2500  lang=0 tbf tau_bath=1 t_bath=300  &
-damax=20.0 EDRIFTMAX=20.0 reset_moment=5000  reset_vel=5000                    &
-preminim cart
+dt=0.2 ntwe=2500  ntwx=2500  lang=0 tbf tau_bath=1 t_bath=300 damax=20.0       &
+EDRIFTMAX=20.0 reset_moment=5000  reset_vel=5000 preminim cart nstep=NNN
 maxfun=100
 nrep=12 nstex=2500 tlist mlist traj1file rest1file sync nsyn=2500
 280 288 296 304 312 320 328 336 342 350 360 370