Re: [AMBER] About foundations of T-REMD

From: Brian Radak <>
Date: Fri, 25 Oct 2013 10:42:28 -0400

I'm not sure what you mean by a simulation obeying the Central Limit
Theorem. That is related to the Law of Large Numbers and a characteristic
of random variables. A simulation

The Ergodic Hypothesis is just that, a hypothesis. I don't think it can be
proven in general, but may be proven or dis-proven for certain systems (I'm
afraid I don't know of any specific examples beyond the 1d harmonic

There is sometimes talk in the literature of things being "more ergodic" or
"less ergodic," but I think the terminology is not necessarily standard. I
suppose a statement such as "T-REMD simulations may be more ergodic than
conventional MD simulations." would be seen as rather inoffensive by the
general community.


On Fri, Oct 25, 2013 at 10:28 AM, Francesco Pietra <>wrote:

> Hello:
> There was recently a thread here on T-REMD, which was very much
> instructive. Reexamining the points raised, I was now wondering whether the
> "central limit theorem" and the "ergodic hypothesis" are obeyed by a
> correct T-REMD. Beg pardon if these questions have already been explicitly
> or implicitly answered, and I missed the point.
> thanks
> francesco pietra
> _______________________________________________
> AMBER mailing list

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