Re: [AMBER] Multiple restraint masks

From: case <>
Date: Tue, 26 Nov 2013 17:52:54 -0500

On Tue, Nov 26, 2013, Jason Swails wrote:
> >
> > Is it possible to employ multiple restraint masks within the same
> > simulation? For instance, if one has a protein with three domains and you
> > wish to restrain a subset of atoms within each of these domains, can you
> > restrain each subset independently so that inter-subunit motion is not
> > affected?

See Section 6.13 of the Amber12 manual, which allows you do do a version
of this sort of calculation. (This is usually a better approach than that
suggested by Jason in his earlier email.)


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Received on Tue Nov 26 2013 - 15:00:03 PST
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