[gmx-users] corrupt trr file?

[David van der Spoel]

Samantha Kaye wrote:
> Yes using trjcat. It returns a magic number error.

could this by chance be run on a 64 bit powerpc?

If the two original files can be gmxcheck-ed then the catted file should 
be fine too.

> 
> 
> In message <44C4CA58.5080209 at xray.bmc.uu.se> Discussion list for GROMACS users <gmx-users at gromacs.org> writes:
> 
>>Samantha Kaye wrote:
>>
>>>Hi,
>>>
>>>Whenever I try to make a continuation file for my simulation I can generate a tpr file using tpbconv but I can't cat the ouput files together afterwards.
>>>
>>
>>did you use trjcat ?
>>
>>
>>>When I run ">gmxcheck -f closed1122_unrest.trr" on the first trr file I get the following:
>>>
>>>
>>>Checking file closed1122_unrest.trr
>>>trn version: GMX_trn_file (single precision)
>>>Reading frame       0 time    0.000
>>># Atoms  189376
>>>Reading frame     910 time 4550.000   -------------------------------------------------------
>>>Program gmxcheck, VERSION 3.3
>>>Source code file: trnio.c, line: 66
>>>
>>>File input/output error:
>>>Can not determine precision of trn file
>>>-------------------------------------------------------
>>>
>>>
>>>I've tried generating the continuation file from an earlier frame but have the same problem always at frame 910.
>>>
>>>The file is over 2gb but as tpbconv runs without a problem I don't think that's the problem.
>>>
>>>Any suggestions?
>>>
>>>Thanks
>>>
>>
>>
>>-- 
>>David.
>>________________________________________________________________________
>>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>>Dept. of Cell and Molecular Biology, Uppsala University.
>>Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>>phone:	46 18 471 4205		fax: 46 18 511 755
>>spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
>>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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> 
> 


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++