thanks for the help .. will try On Wed, Jun 15, 2011 at 3:02 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > maria goranovic wrote: > >> I am using the command: >> >> trjcat -f *gro -o temp.xtc -cat >> to concatenate about 40,000 frames of 14,000 atoms each. The commands >> works well for 10,000 frames, but crashes for 40,000 frames after reading >> all the frames. There is sufficient disk space. Is this a bug of some kind? >> > > Not a bug, but rather clunky code - trjcat consumes a huge amount of > memory. If your .gro files are large, then that is the likely limitation. > Convert the .gro frames to .xtc with trjconv, then concatenate those > instead. > > -Justin > > > -- >> Maria G. >> Technical University of Denmark >> Copenhagen >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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 > -- Maria G. Technical University of Denmark Copenhagen
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