Re: AMBER: restraints to individual atoms

From: Gustavo Seabra <>
Date: Tue, 27 Nov 2007 11:34:14 -0500

> I would like however, to make a restrain on atoms within the specified
> restraintmask residues,
> I know that for the qm/mm region it is possible to pick atoms instead of
> residues, but what
> about the restraintmask section?.

Have you tried to specify a mask that contains atoms?

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Received on Wed Nov 28 2007 - 06:07:37 PST
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