[gmx-users] Some interactions seem to be assigned multiple times

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jul 16 15:24:23 CEST 2012

On 13/07/2012 7:05 PM, Shima Arasteh wrote:
> Dear gmx users,
> My system is composed of a protein and water. I am working with CHARMM36 and the current version of Gromacs, 4.5.5.
> For NVT equilibration , I get this error:
> "Software inconsistency error:
>   Some interactions seem to be assigned multiple times"
> Through the mailing list, I just found that some bugs might be the reason of the error, and the Gromacs version should be current. But as I said I use the current version of Gromacs. I really don't have any idea for solving this problem.

This is rare, but IIRC usually a symptom of blowing up. Try searching 
the mailing list.


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