[gmx-users] Regarding Gromacs output files.

[Erik Marklund]

On 11 okt 2012, at 16.17, 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.
> 

"Less useful" depends on the application, but in many cases yes.

> 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 files are backwards-compatible I think.  You can generate a new tpr file with your older gromacs version using the same mdp input as for your existing tpr and use that in your analysis programs.

> 
> Thank you!
> 
> 
> regards
> Vidya
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html