[gmx-users] Can not open file: run.trr

Samith Rathnayake samithzzz1 at gmail.com
Wed Jul 5 06:25:50 CEST 2017


Thank you

On Mon, Jul 3, 2017 at 5:36 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Use tools like rsync to do your file copies and preserve suitable
> permissions automatically. And try to avoid copying files > 2GB to
> partitions formatted in Windows-friendly fashion to e.g. FAT32 file sytems,
> as external hard drives might be formatted.
>
> Mark
>
> On Sun, Jul 2, 2017 at 10:59 PM Samith Rathnayake <samithzzz1 at gmail.com>
> wrote:
>
> > Hi everyone,
> >
> > Recently I was run a 30ns gromacs simulation.And for the analysis part, i
> > was copied down the entire file directory of the simulation into an
> > external hard disk and shift it into another computer with same OS and
> same
> > version of gromacs (ubuntu 14.04 and gromacs 4.6.5). After copied down to
> > another computer, I was work with the file permission scenario by using
> the
> > command: chmod 777 for every and each file .Then  I was run the g_rms
> > command for the  RMSD analysis.But i was got the :
> >
> > ............................................................
> ............................................................
> > Program g_rms, VERSION 4.6.5
> > Source code file: /build/buildd/gromacs-4.6.5/src/gmxlib/gmxfio.c, line:
> > 524
> >
> > Can not open file:
> > run70.trr
> > For more information and tips for troubleshooting, please check the
> GROMACS
> > website at http://www.gromacs.org/Documentation/Errors
> >
> >
> > ............................................................
> ...........................................................
> > The command worked with the same files when those files were in the
> > previous (original location) computer.Even i arranged the file permission
> > on the new computer (new space) the trr files cant open.
> > How to overcome this situation?
> >
> >
> > thank you in advance.
> > --
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