[gmx-users] corrupt trr file?

[David van der Spoel]

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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