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.
Best
Hayden
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Joseph Maxwell
Sent: 26 June 2007 00:28
To: amber.scripps.edu
Subject: AMBER: Simulated Annealing
Hello,
Can AMBER be set up for Simulated Annealing? Could not seem to see it in the
manual.
Thanks
--jem--
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Received on Wed Jun 27 2007 - 06:07:29 PDT
