But the first file can't be successfully gmxcheck-ed, I get the precision error mentioned below.


In message <44C504B8.2040101@xray.bmc.uu.se> Discussion list for GROMACS users <gmx-users@gromacs.org> writes:
> 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@xray.bmc.uu.se> Discussion list for GROMACS users <gmx-users@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@xray.bmc.uu.se	spoel@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@xray.bmc.uu.se	spoel@gromacs.org   http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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-- 
Samantha Kaye
Structural Bioinformatics and Computational Biochemistry Group
University of Oxford