AMBER Archive (2002)

Subject: Constraints in Amber (fwd)

From: amber_at_heimdal.compchem.ucsf.edu
Date: Tue Dec 03 2002 - 16:57:30 CST

---------- Forwarded message ----------
Date: Tue, 03 Dec 2002 13:09:57 -0700 (MST)
From: Eric.Dykeman_at_asu.edu
To: amber_at_heimdal.compchem.ucsf.edu
Subject: Constraints in Amber

Hi,
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
eric.dykeman_at_asu.edu