The easiest way to do this is to select the atom that is closest to this
point in space and define the mask to be a certain distance around that
atom. (Note that the bellymask denotes atoms that can MOVE, not that are
kept fixed).
Also beware that masks do *not* update throughout the course of the
simulation, i.e. the belly mask will not change even if one of the atoms
originally selected moves beyond the distance cutoff you impose.
HTH,
Jason
On Mon, Jun 25, 2012 at 3:56 PM, Sajeewa Pemasinghe <sajeewasp.gmail.com>wrote:
> Hi all,
>
> I want to enter a bellymask in my input file which includes all the
> residues within 20A from the point -7.225,-0.149, 5.512 (xyz coordiantes).
> Is there a way to do this in amber? I checked the manual but couldn't find
> how to select residues from a given position in space.
>
> Thank you
>
> Sajeewa Dewage
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Jun 25 2012 - 13:30:02 PDT
