[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
--
========================================
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
========================================
More information about the gromacs.org_gmx-users
mailing list