[gmx-users] XTC file not being created, while TRR file is

João Rodrigues anaryin at gmail.com
Fri Jan 7 19:02:12 CET 2011

Hello all,

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?


João Rodrigues
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