[gmx-users] Regarding Gromacs output files.

[Justin Lemkul]

On 10/11/12 10:17 AM, R.Vidya Rajendran (10PHD013) wrote:
> Hello Friends,
>
> I have two very specific queries regarding gromacs output files.
>
> 1) Since we can generate .xtc file during mdrun, Is is possible to
> stop generating .trr files, because it used to be very huge and less
> useful.
>

Set nstxout, nstvout, and nstfout to zero in the .mdp file.  This will suppress 
.trr output.

> 2) .xtc & .tpr files generated by gms4.5.5 version is not readable by
> gms4.0.4, Is their any possibility to make readable ?
>

The .xtc file can be read, the problem is the .tpr file.  You would have to 
recreate it under version 4.0.4, which requires small topology modifications.

-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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