On Tue, Oct 27, 2015 at 9:54 PM, maryam azimzadehirani <
maryamai1988.gmail.com> wrote:
> Dear all,
> I am trying to run replica exchange simulations. I have my model and I want
> to have a proper temperature distribution. I am planning to use this
> server: http://folding.bmc.uu.se/remd/
> But I can not find any tip from amber advanced tutorial A7 on how to
> get Exchange
> probability that I will need as the input of my temp distribution
> calculation.
You don't *need* a particular value. It's whatever you *want* it to be.
I like 20%, since it strikes me as a nice compromise between required # of
replicas and rapid state space mixing.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Oct 27 2015 - 20:30:03 PDT
