[gmx-users] unreadable frame in .trr file -help
feenstra at chem.vu.nl
Tue Aug 10 17:53:39 CEST 2004
Hadas Lapid wrote:
> Hi all,
> I ran a 10 ns trajectory, apparently at one point there was not enough
> disk space, and the program wrote an unreadable frame, never the less
> the run did not crash, and when finished I could not view || analyze the
> traj. beyond that point.
> Furthermore, when trying all options of trjconv to view the problematic
> frame, extract it , skip it etc. the program could not continue beyond
> that point.
> Is there any way to "save" the rest of the trajectory?
There is a 'magic number' as a flag at the start of each frame, which
you could use to search for the first frame after the corrupted one.
At some point, we decided this needed to be implemented in the gromacs
traj reading routines, or at least in one recovery utility, but somehow
we never got around to it. Anyway, it shouldn't be too difficult to
write (or even to add it to, e.g., trjconv).
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
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