New examples based on current version of UNRES.

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD.inp

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
index efd1084..f0d6b35 100644 (file)
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
@@ -4,7 +4,7 @@ nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=0 tbf              &
 tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
 nrep=16 nstex=100000 tlist mlist traj1file rest1file sync nsyn=100000
   250  260  270  280  290  300  310  320  330  340  350  360  370  380  390  400
-    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4  
+    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2  
 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    &