[gmx-users] Regarding Gromacs output files.
jalemkul at vt.edu
Thu Oct 11 16:57:59 CEST 2012
On 10/11/12 10:54 AM, R.Vidya Rajendran (10PHD013) wrote:
> Hello Justin,
> With regards to my second query ...to suppress the size of .trr I can
> set nstxout, nstvout, and nstfout to zero in the .mdp file, But I am
> afraid It will affect the .xtc file too.
It will not. The frames in the .xtc file depend only on nstxtcout. That is why
there are separate keywords.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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