[gmx-users] Extending an mdrun with trr >2GB
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.
MSN Search, for accurate results! http://search.msn.nl
More information about the gromacs.org_gmx-users