[gmx-users] trajectory error

[Justin Lemkul]

On 12/27/19 11:26 AM, spss4 at iacs.res.in wrote:
> Dear all
>
>  I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some 
> problem the job was crushed then I rerun the simulation using 
> state.cpt file (this happened few more times). The job is finished now 
> but when I am trying to process the traj.trr file it shows an error 
> after 20 ns and the program stop working.
>    Fatal error
>   Failed to find GROMACS magic number in trr frame header, so this is 
> not a trr
>   file!
> How to solve this error?
>

Likely your .trr was corrupted as a result of repeated crashes.

-Justin

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Justin A. Lemkul, Ph.D.
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