[gmx-users] virtual sites
gmelaugh01 at qub.ac.uk
Thu May 5 18:00:37 CEST 2011
Cheers. How do you actually define the energy groups?
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
> and not interact at all with everything else?
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