Hi Valerie,
In your tleap script, just add the lines:
select selection
relax selection
(where selection can be unit, unit.residue, etc. -- in other words,
just the usual atom selection)
Best,
Paul
On Jul 23, 2010, at 9:11 AM, Valerie Fako wrote:
> Hello everyone,
>
> I just had a quick question: does anyone know if there is a command
> that can
> be used with a tleap script to relax a protein system? I know in
> xleap you
> can choose "relax selection," I just wasn't sure what the command
> would be
> for tleap.
>
> Thanks!
>
> Valerie Fako
> Department of Pharmacology
> Indiana University School of Medicine
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Received on Fri Jul 23 2010 - 10:00:05 PDT
