On Fri, Aug 19, 2022 at 10:40 Ran Zhao <[email protected]> wrote:

> Hello, I am a new for votca.
> When I run the example (spce water), I find the always a error :Error
> 'tpr' file format of file 'topol.tpr' cannot be read or written.
> This error not occur when I run on my own Linux computer (the Votca is
> installed by the command: sudo apt-get install votca-csg).
> Why do I get this error when using Votca with conda?
> The gromacs both are gromacs 2018.
>
This error mean VOTCA was compiled without gromacs support!

Can you open an issue on
https://github.com/votca/votca/issues with some more information? Which
version of VOTCA? Are you using the conda or apt-get version? Etc.

Thanks,

Christoph


Looking forward to your help.
> sincerely yours.
>
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Christoph Junghans
Web: http://www.compphys.de

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