AMBER Archive (2007)

Subject: Re: AMBER: restraints to individual atoms

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Tue Nov 27 2007 - 10:34:14 CST

> 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?

Gustavo.
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