[gmx-users] Magic Number Error in XTC file (read 0, should be 1995)

[Justin Lemkul]

On 8/13/17 12:09 PM, ZHANG Cheng wrote:
> I also run "gmx check" to examine what is wrong:
> gmx check -s1 md_0_1.tpr -f md_0_1.xtc
> 
> 
> However, the same thing happened:
> Command line:
>    gmx check -s1 md_0_1.tpr -f md_0_1.xtc
> 
> 
> Reading file md_0_1.tpr, VERSION 5.1.1 (single precision)
> 
> 
> Reading frame       0 time    0.000
> # Atoms  127073
> Precision 0.001 (nm)
> 
> 
> Reading frame       1 time   10.000
> Reading frame       2 time   20.000
> Reading frame       3 time   30.000
> Reading frame       4 time   40.000
> Reading frame       5 time   50.000
> Reading frame       6 time   60.000
> Reading frame       7 time   70.000
> Reading frame       8 time   80.000
> Reading frame       9 time   90.000
> Reading frame      10 time  100.000
> Reading frame      11 time  110.000
> Reading frame      12 time  120.000
> -------------------------------------------------------
> Program gmx check, VERSION 5.1.1
> Source code file: /dev/shm/tmp.PwtfSrm0uJ/gromacs-5.1.1/src/gromacs/fileio/xtcio.c, line: 90
> 
> 
> Fatal error:
> Magic Number Error in XTC file (read 0, should be 1995)
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 

Your trajectory is corrupt, with the broken frame occurring very early on.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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