[gmx-users] virtual site, dummy massive site

[Mark Abraham]

Hi,

Yes those will affect what configurations are sampled, but not the LJ
component of the energy of the configurations.

Mark

On Sat, 18 Nov 2017 23:54 Alex <nedomacho at gmail.com> wrote:

> And the things that affect the motion of the things with LJ interactions.
> :)
>
> Alex
>
>
> On 11/18/2017 3:49 PM, Mark Abraham wrote:
> > 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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