[gmx-users] virtual sites

[Gavin Melaugh]

Hi Sikandar

Cheers. How do you actually define the energy groups?

Gavin

Sikandar Mashayak wrote:
> yes, you can make virtual sites interact with only specific sites by
> using Energy Exclusion between energy groups. This can be done by
> defining energy groups for virtual sites and other atoms, then exclude
> or include the non-bonded interactions between them accordingly...
>
> On Thu, May 5, 2011 at 7:30 AM, Gavin Melaugh <gmelaugh01 at qub.ac.uk
> <mailto:gmelaugh01 at qub.ac.uk>> wrote:
>
>     Hi All
>
>     Is it possible to have a virtual site interact with only specific
>     atoms
>     and not interact at all with everything else?
>
>
>     Cheers
>
>     Gavin
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