Re: PMF and work distribution

From: Giacomo Fiorin (
Date: Wed Jun 25 2014 - 12:12:52 CDT

Hello Mustafa, there are a multitude of recipes and opinions on this.
 Generally, you would simply calculate the 3rd and 4th statistical moments
of the distribution, comparing them to those of the normal one (Gaussian).


On Wed, Jun 25, 2014 at 6:50 AM, Mustafa Tekpinar <>

> Hi,
> I am performing SMD simulations and I want to calculate Potential of Mean
> Force (PMF) using those simulations. As far as I know, work distribution
> (or force distribution) has to be gaussian to calculate PMF (with
> Jarzynski's method and second order cumulant expansion). I was wondering
> how can I check if my work distribution is gaussian.
> Thanks in advance,
> Mustafa Tekpinar

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