[gmx-users] Extend the simulation

[Mark Abraham]

Hi,

You need to provide a number of ps by which you wish to extend, not the
text "timetoextendby"

Mark

On Sat, 20 Feb 2016 21:55 Elsaid Younes <elkhot at gmail.com> wrote:

> Hi all,
>
> I need to extend a previous simulation, and its directory is the same with
> all inputs and outpts. That simulation  can not be complete due to the
> maximum time of the job which is limited by the server. I use gromacs 5,
> when using the command gmx convert-tpr, an error is obtained.
>
> Command line:
>   gmx convert-tpr -s previous.tpr -extend timetoextendby -o next.tpr
>
>
> -------------------------------------------------------
> Program gmx, VERSION 5.0.4
> Source code file:
>
> /local/easybuild/build/GROMACS/5.0.4/intel-2016.01-mt/gromacs-5.0.4/src/gromacs/commandline/pargs.cpp,
> line: 80
>
> Fatal error:
> Expected a real argument for option -extend
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
>
>
> Is that the only way to extend the simulation? The time of extension has
> limits?
>
> /Elsaid
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