[gmx-users] Limit on energygrp_table

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 30 07:22:46 CET 2011

On 30/11/2011 5:09 PM, Liu, Liang wrote:
> Dear all,
> I am trying to use tabulated potentials in my simulation. However, 
> there is a limit on energygrp_table and the grompp reports error.

What error?

> The interaction happens between any two of atoms, and their might be 
> more than 3000 possible couples.
> What should I do to remove the limit? Thanks.

We don't know what limit you are observing.

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