Constraints in Amber (fwd)

From: <>
Date: Tue 3 Dec 2002 14:57:30 -0800 (PST)

---------- Forwarded message ----------
Date: Tue, 03 Dec 2002 13:09:57 -0700 (MST)
Subject: Constraints in Amber

Iam trying to run a simulation on a molecule in a binding pocket. Idealy I
would like to pull on the molecule with a constant force so that I may
calculate the response of the binding pocket. Sander has options for parabolic
and linear forces but I don't seem to see any constant forces. Does Amber
support simulations with constant forces if so how would sander implement
them? Much Thanks in advance.

Eric Dykeman
Department of Physics and Astronomy
Arizona State University
Received on Tue Dec 03 2002 - 14:57:30 PST
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