[gmx-users] Corrupt trajectories

David 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.
________________________________________________________________________
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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