[gmx-users] XTC file not being created, while TRR file is
anaryin at gmail.com
Fri Jan 7 19:02:12 CET 2011
I'm trying to run energy minimization on my system (protein complex). Since
it's a bit big (produces 2GB of trr files using l-bfgs) I'm trying to
supress most of this output and replace the trr file with an xtc file.
I'm using these options in my mdp file (output related):
nstxout = 0
nstvout = 0
nstfout = 0
nstcalcenergy = 0
nstlog = 0
nstenergy = 0
nstxtcout = 10
xtc-precision = 1000
Still, I get no xtc file (even if I explicitly run mdrun with the -x option)
and I still get a large trr file.
Am I doing something wrong?
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