[gmx-users] Extending an mdrun with trr >2GB

Berk Hess gmx3 at hotmail.com
Mon Mar 29 10:23:01 CEST 2004

>But in both cases, I received an error message:
>File full.trr not found.
>Of course, the file is actually present and larger than 2.2 GB.

The Unix command split will work on files larger than 2 GB.
If nstxout=nstvout and nstfout=0 or nstfout=nstxout, all trr frames
have equal size. You can do a new run with 0 steps to determine
the size of 1 frame. Then you can use split with a byte size
that corresponds to a number of frames with total size just under 2 GB.
Rename the output files with the .trr extension and then you
can read all the frames again.


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