[gmx-users] Tabulated non-bonded potential

Mark Abraham Mark.Abraham at anu.edu.au
Tue Nov 17 23:32:06 CET 2009

ms wrote:
> Hi,
> I would like to understand a basic question about the usage of tabulated
> potential for non-bonded interaction. If I use an arbitrary function and
> I write a table for it, is the functional shape then applied to *all* my
> atoms, or can I specify which ones use the tabulated potential -and how?

Use energygrp_table in the .mdp file. See manual section 7.3


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