X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Funres_example.inp;h=6abed176f1ce448a6918f3eff9790584a3372cd9;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=5d64d8fc0ed8e7e12f7e535f1a75e6a0804b388d;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/output/unres_example.inp b/examples/UNRES-Dock/output/unres_example.inp index 5d64d8f..6abed17 100644 --- a/examples/UNRES-Dock/output/unres_example.inp +++ b/examples/UNRES-Dock/output/unres_example.inp @@ -1,7 +1,7 @@ Multi MREMD SEED=-3059743 RE rescale_mode=2 PDBSTART timlim=4100.0 & CONSTR_HOMOL=24 pdbref refstr BOXX=boxxx BOXY=boxxx BOXZ=boxxx -dt=0.2 ntwe=2500 ntwx=2500 lang=0 tbf tau_bath=1 t_bath=300 damax=20.0 & +dt=0.20 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