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