[gmx-users] Regarding Gromacs output files.

Justin Lemkul 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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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