AMBER Archive (2008)

Subject: AMBER:Some questions about replica exchan ge

Date: Wed Jul 16 2008 - 08:07:46 CDT

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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