[gmx-users] Failed to find GROMACS magic number in trr frame header

[Justin Lemkul]

On 4/17/20 10:13 AM, Mijiddorj B wrote:
> Dear GMX users,
>
> Hello, I performed MD simulation using gromacs 2018.7v. During this
> simulation, the calculation was stopped because of the electric cut. Then,
> I continued the simulation using "gmx mdrun with -noappend" in order to get
> separate trajectory for the safety of data. After that, I would like to
> concatenate the trr files.
> However, I received following error message.
>
> How, can I concatenate these trajectories.
> **********************************************
> Program:     gmx trjcat, version 2018.7
> Source file: src/gromacs/fileio/trrio.cpp (line 114)
>
> Fatal error:
> Failed to find GROMACS magic number in trr frame header, so this is not a
> trr
> file!
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> ************************************************

Your file is corrupted and you will have to run that portion of the 
simulation again.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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jalemkul at vt.edu | (540) 231-3129
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