Re: [AMBER] Statistically estimating the error and data reliability for Jarzynski Method

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Thu, 18 May 2017 08:40:15 +0100

On Wed, 17 May 2017 17:21:41 +0000
Ramin Salimi <ramin.salimi01.utrgv.edu> wrote:

> Thanks Hannes
>
> You are correct, but I thought that there might be some numerical
> mysterious way to calculate the error.

I have only made remarks as how to do compute the terms of the
cumulants but I have said nothing about error and bias estimation. I
suggest to look into the literature how to do this e.g. the paper I
referred to earlier seems to have some material on this.

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 18 2017 - 01:00:02 PDT
Custom Search