On Wed, May 10, 2023 at 9:02 AM Annie Wu <[email protected]> wrote:
>
> Hi votca,
>
> I work on a two-type CG system, trying to correct the non-bond potential, but 
> file at the first frame, I follow the example in spce:ibi_lammps, I believe I 
> have the same in.file and lammps part in setting.xml, but have no idea why 
> this error comes, any help will be appreciated, I attach the files below. 
> Thanks for your time.

What exactly is the error message?

>
> Best,
> Annie
>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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