[gmx-users] trjcat error

[Anirban Ghosh]

Thanx Tsjerk for the reply.
I checked the .trr files with gmxcheck and one of the .trr files is giving
the error:

---------------------------------------------------------------------------------------------------------------------------
Checking file PRO_DAH_10_NS.part0004.trr
trn version: GMX_trn_file (single precision)
Reading frame       0 time 10000.000
# Atoms  135496
Reading frame    1400 time 12800.001
-------------------------------------------------------
Program gmxcheck, VERSION 4.0.5
Source code file: trnio.c, line: 66

File input/output error:
Can not determine precision of trn file
----------------------------------------------------------------------------------------------------------------------------

Is there any way to recover this .trr file? Or do I need to re-run the
simulation again?
Any suggestion is welcome.


Regards,


Anirban


On Fri, Dec 18, 2009 at 12:49 PM, Tsjerk Wassenaar <tsjerkw at gmail.com>wrote:

> Hi Anirban,
>
> Check each trajectory with gmxcheck to see whether they are okay.
>
> Cheers,
>
> Tsjerk
>
> On Fri, Dec 18, 2009 at 7:32 AM, Anirban Ghosh
> <reach.anirban.ghosh at gmail.com> wrote:
> > Hi ALL,
> >
> > I have 3 5 nano-seconds trajectory files (.trr) of a protein+lipid+water
> > simulation. I am using trjcat to join them into a single .trr file for
> > analysis and getting the following error:
> >
> >
> -----------------------------------------------------------------------------------------------------------------------------------------------
> > Continue writing frames from PRO_10_NS.part0003.trr t=4604 ps,
> > frame=2302
> >  ->  frame   3990 time 7980.000 ps     ->  frame   3910 time 7820.000 ps
> > -------------------------------------------------------
> > Program trjcat, VERSION 4.0.5
> > Source code file: trnio.c, line: 66
> >
> > File input/output error:
> > Can not determine precision of trn file
> >
> ------------------------------------------------------------------------------------------------------------------------------------------------
> >
> > What should I do? Any suggestion is welcome.
> >
> >
> > Regards,
> >
> > Anirban
> >
> >
> > --
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>
>
> --
> Tsjerk A. Wassenaar, Ph.D.
>
> Computational Chemist
> Medicinal Chemist
> Neuropharmacologist
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