[gmx-users] Potential Energy Distribution Plots in REMD

[Justin Lemkul]

On 8/9/19 10:14 PM, Shan Jayasinghe wrote:
> Dear Gromacs Users,
>
> I want to plot potential energy distribution plot using the normal
> distribution curve (bell curve) for all replicas in my REMD simulation. I
> used the command,
>
> gmx analyze -f Penergy.xvg -dist -normalize
>
> However, I got a histogram, instead of a bell curve.
> Appreciate, if you could help me to get the normalised curve for potential
> energy distribution.

gmx analyze produced what you asked for, a normalized histogram. You 
should not expect any given data series to necessarily follow a true 
normal distribution.

-Justin

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Justin A. Lemkul, Ph.D.
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