[AMBER] Multiple restraint masks

From: Michael Garton <michael.garton.utoronto.ca>
Date: Tue, 26 Nov 2013 15:34:47 +0000

Dear all,

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?

AMBER mailing list
Received on Tue Nov 26 2013 - 08:00:02 PST
Custom Search