AMBER Archive (2007)

Subject: RE: AMBER: Simulated Annealing

From: Hayden Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Tue Jun 26 2007 - 04:14:57 CDT

 
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_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
Joseph Maxwell
Sent: 26 June 2007 00:28
To: amber_at_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--

________________________________

Make every IM count. Download Windows Live Messenger and join the i'm
Initiative now. It's free. Make it count!
<http://im.live.com/messenger/im/home/?source=TAGWL_June07>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu