[gmx-users] Regarding Gromacs output files.
jalemkul at vt.edu
Thu Oct 11 16:24:58 CEST 2012
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
Set nstxout, nstvout, and nstfout to zero in the .mdp file. This will suppress
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users