[gmx-users] Corrupt trajectories
spoel at xray.bmc.uu.se
Fri May 27 08:14:09 CEST 2005
On Thu, 2005-05-26 at 19:47 -0400, Amil Anderson wrote:
> I have recently finished a very long MD simulation that created a 87
> Gigabyte .trr trajectory file and a 23 Gigabyte .xtc file. When
> using trjconv to sample these trajectories the programs fails on the
> 148,760th frame with a fatal error: "Can not determine precision of
> trn file". The fatal error occurs at the same frame when I am
> reading either the .trr or the .xtc file. Is there a way to get to
> the remaining 85% of the file?
> I have tried skipping the first 149,000 frames using the -b option
> but still get caught at frame 148,760
Does your OS have file size limitation at 2 Gb?
> Thanks for any assistance that can be provided.
> Amil Anderson
> Associate Professor of Chemistry
> Wittenberg University
> Springfield, OH 45501
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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