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...<br>
<br><div class="gmail_quote">On Thu, May 5, 2011 at 7:30 AM, Gavin Melaugh <span dir="ltr"><<a href="mailto:gmelaugh01@qub.ac.uk">gmelaugh01@qub.ac.uk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi All<br>
<br>
Is it possible to have a virtual site interact with only specific atoms<br>
and not interact at all with everything else?<br>
<br>
<br>
Cheers<br>
<br>
Gavin<br>
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