[gmx-users] Magic Number Error

Xavier Periole X.Periole at rug.nl
Mon Jan 28 11:37:48 CET 2008


On Mon, 28 Jan 2008 11:09:08 +0100
  alessandro casoni <alessandro.casoni at unimi.it> wrote:
> Dear GMX-USERS,
> I have a little problem...when I use g_covar I get this message:
> 
> Program g_covar, VERSION 3.3.2
> Source code file: xtcio.c, line: 83
> 
>Fatal error:
> Magic Number Error in XTC file (read 0, should be 1995)

that generally means that your trajectory is corrupted. Did you check
the trajectory (gmxcheck -f traj.XXX).
If gmxcheck give the same message, I am afraid the trajectory is lost.
You can recover the good segment of the trajectory with:
trjconv -f traj.xtc -e XXX -o traj-cut.xtc.
XXX is the time before the magic number problem shows up.

> 
> ..could you help me?
> 
> thanks in advance
> Alessandro
> 
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-----------------------------------------------------
XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------



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