[gmx-users] why traj.trr appears
jalemkul at vt.edu
Tue Sep 18 14:43:16 CEST 2012
On 9/18/12 8:29 AM, Dr. Vitaly Chaban wrote:
> Dear All -
> I an using the current version of gromacs. Although I have
> nstxout = 0
> nstvout = 0
> nstfout = 0
> in the MDP file, the traj.trr file appears during the MD run (and is
> quite large). In older versions, there was no traj.trr with such an
> Did I miss something, please?
The above combination should turn off production of a .trr file. Something
doesn't add up. Verify your settings in the .log and/or .tpr file - perhaps
you've mixed up .mdp files.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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