[gmx-users] Tabulated non-bonded potential
devicerandom at gmail.com
Wed Nov 18 12:43:41 CET 2009
Mark Abraham ha scritto:
> ms wrote:
>> 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
*slap on my head*
Thanks, I missed it. I was looking in the Chapters 4 and 5 and finding
nothing I was confused.
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