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
Mark
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