[gmx-users] Re: corrupt trajectory

Amil Anderson aanderson at wittenberg.edu
Fri May 27 16:38:15 CEST 2005


Since I've successfully read over 12 GB of the file (~14.9% of the 
file), I don't think that a 2 GB file size limit is the problem. 
Also, trjconv stops at the same frame number in both the .trr and 
.xtc files which are different sizes.


>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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