[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Tue Mar 3 21:48:03 CET 2009
Antonia Vyrkou wrote:
> I am trying to simulate a system for which I need to exclude all
> intramolecular culombic interactions except those included in the pair_list.
> How can I do that?
Perhaps by use of energy group exclusions - see the manual.
> Also, the pairs defined at the [ pairs ] section are used for both
> Lennard-Jones and coulombic interaction, are they not?
I think so.
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