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

[Mark Abraham]

Hi,

No, some kind of breakage, e.g. a filesystem disappeared, or a file
transfer was incomplete or the file was edited with some inappropriate tool.

Mark

On Sat, 18 Apr 2020 at 11:46, Mijiddorj B <b.mijiddorj at gmail.com> wrote:

> Dear Justin,
>
> Thank you very much for your reply. I see. However, I have one more
> question. Is it caused by usage of -noappend or other reasons?
>
> Best regards,
>
> Mijiddorj
>
> ---------------------------------------------------------
> >
> > Message: 1
> > Date: Fri, 17 Apr 2020 11:51:25 -0400
> > From: Justin Lemkul <jalemkul at vt.edu>
> > To: gmx-users at gromacs.org
> > Subject: Re: [gmx-users] Failed to find GROMACS magic number in trr
> >         frame header
> > Message-ID: <77b40330-739a-c03e-85f2-1bc74b97cb65 at vt.edu>
> > Content-Type: text/plain; charset=utf-8; format=flowed
> >
> >
> >
> > 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
> >
> > --
> > ==================================================
> >
> > Justin A. Lemkul, Ph.D.
> > Assistant Professor
> > Office: 301 Fralin Hall
> > Lab: 303 Engel Hall
> >
> > Virginia Tech Department of Biochemistry
> > 340 West Campus Dr.
> > Blacksburg, VA 24061
> >
> > jalemkul at vt.edu | (540) 231-3129
> > http://www.thelemkullab.com
> >
> > ==================================================
> >
> >
> --
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