Re: [AMBER] Replica exchange temperature distribution

From: maryam azimzadehirani <maryamai1988.gmail.com>
Date: Wed, 28 Oct 2015 14:49:39 +0800

Got reasonable results.
Thanks.

On Wed, Oct 28, 2015 at 11:07 AM, Jason Swails <jason.swails.gmail.com>
wrote:

> 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 Wed Oct 28 2015 - 00:00:03 PDT
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