[gmx-users] virtual sites

Sikandar Mashayak symashayak at gmail.com
Thu May 5 17:40:42 CEST 2011

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> 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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