AMBER:Some questions about replica exchan ge

From: <>
Date: Wed, 16 Jul 2008 21:07:46 +0800 (CST)

Dear all,
I want to perform MD simulations using replica exchange method. However, before starting the replica exchange simulation, I need to determine the number of replicas and the temperatures for each replica for the simulated system.
I have no idea how to choose these, i.e. the reasonable numbers of replicas to use and an optimum temperature distribution.
Can someone give me some advices, and any command of yours will be a great help for me.
Thank you.
zehan hu
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Received on Sun Jul 20 2008 - 06:07:09 PDT
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