[gmx-users] Magic Number Error in XTC file

[Justin A. Lemkul]

Rebeca García Fandiño wrote:
> <mailto:gmx-users at gromacs.org> 
> Hello,
> I am trying to joing different .xtc fragments of a gromacs trajectory 
> using trjcat (Gromacs 4.0.2 version).
>  
>  
> trjcat_sp -f file1.xtc file2.xtc -o join1_2.xtc
>  
> I get the following error:
>  
> (...)
>  
> Reading frame       1 time 22202.002
> 
> Summary of files and start times used:
> 
>           File                Start time       Time step
> ---------------------------------------------------------
>         file1.xtc        0.000 ps          2.000 ps
>         file2.xtc    22200.002 ps        2.000 ps
> 
> Reading frame       0 time    0.000
> 
> Continue writing frames from file1.xtc t=0 ps, frame=0
> ->  frame   5610 time 11220.001 ps     ->  frame   5000 time 10000.000 ps
> -------------------------------------------------------
> Program trjcat_sp, VERSION 4.0.2
> Source code file: xtcio.c, line: 85
> 
> Fatal error:
> Magic Number Error in XTC file (read 0, should be 1995)
> -------------------------------------------------------
> 
> Please, could anyone help me with the origin of this error?
>  

What does gmxcheck tell you about each of these files?

-Justin

> Thank you very much for your help, in advance.
>  
> Best wishes,
>  
> Rebeca Garcia
> Parc Cientific de Barcelona
> regafan at hotmail.com <mailto:regafan at hotmail.com>
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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