[gmx-users] virtual site, dummy massive site

[Mark Abraham]

Hi,

Only things with LJ interactions can influence the LJ energy.

Mark

On Fri, 17 Nov 2017 21:06 Faezeh Pousaneh <fpoosaneh at gmail.com> wrote:

> I have 2 questions please. They seem evident, but I need to be sure to
> solve my simulation problem:
>
> 1- Does being a virtual site (charge, no mass) or a normal atom, effects on
> its LJ interaction energies with rest of system?
>
> 2-  Does adding a dummy massive site (no charge, only mass) to atoms of
> mono-atomic system, influences on the LJ energy of whole system?
>
> Best regards
> --
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