[AMBER] temperature setting in REMD

From: Cheng-I Lee <biocil.ccu.edu.tw>
Date: Thu, 24 Feb 2011 10:55:32 +0800

Dear AMBER users,

I'm trying to set up a REMD simulation, but don't know how to set the
temperatures. Does anyone has experience for calculating the optimum spacing
of the temperature of a replica exchange run?

Also, how to get the information of probability distribution of potential
energy at a specific temperature (eg. 300K)?

Thanks a lot for the help!

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Received on Wed Feb 23 2011 - 19:00:06 PST
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