X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2F1L2Y_MREMD.inp;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2F1L2Y_MREMD.inp;h=e027b179acde7c058e9d1293d3f708d2fa24695c;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=7b2362e39314ec00d90e645280d876d898f3fd18;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.inp b/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.inp
index 7b2362e..e027b17 100644
--- a/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.inp
+++ b/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.inp
@@ -1,8 +1,8 @@
 1L2Y
 SEED=-3059743 PDBREF RE EXTCONF
-nstep=2000000 ntwe=20000 ntwx=20000 dt=0.10 damax=10000.0 lang=0 tbf           &
-tau_bath=1.0 t_bath=300
-nrep=16 nstex=20000 tlist mlist traj1file rest1file sync nsyn=20000
+nstep=200000  ntwe=20000 ntwx=20000 dt=0.10 damax=10000.0 lang=0 tbf           &
+tau_bath=1.0 t_bath=300 RESPA
+nrep=16 nstex=20000 tlist mlist traj1file rest1file sync nsyn=20000 
     2    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2  
   250  260  270  280  290  300  310  320  330  340  350  360  370  380  390  400
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &