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.
regards Vidya On Thu, Oct 11, 2012 at 5:24 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > 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 > > -- > ======================================== > > 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 > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
