[gmx-users] unreadable frame in .trr file -help

Hadas Lapid hadas.lapid at weizmann.ac.il
Wed Aug 11 09:25:41 CEST 2004


I didn't quit follow you: should I convert the file using this magic # 
flag?
(I think after all the unix "split" should be enough in the worse case).
thanks
Hadas
On Aug 10, 2004, at 6:53 PM, Anton Feenstra wrote:

> 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).
>
>
> -- 
> Groetjes,
>
> Anton
>  _____________ _______________________________________________________
> |             |                                                       |
> |  _   _  ___,| K. Anton Feenstra                                     |
> | / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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> | \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
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