RE: AMBER: Simulated Annealing

From: Hayden Eastwood <>
Date: Tue, 26 Jun 2007 10:14:57 +0100

Hullo Jem

There is no implicit procedure within AMBER (that I know of) for performing
simulated annealing. I usually do it by writing a shell script that performs
hot MD, followed by various cooling steps that the shell script defines with
a function of my choice (often exponential or random). I would recommend
doing it like that.



-----Original Message-----
From: [] On Behalf Of
Joseph Maxwell
Sent: 26 June 2007 00:28
Subject: AMBER: Simulated Annealing

Can AMBER be set up for Simulated Annealing? Could not seem to see it in the


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Received on Wed Jun 27 2007 - 06:07:29 PDT
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