[gmx-users] Potential Energy Distribution Plots in REMD
Omkar Singh
omkantnirala92 at gmail.com
Sat Aug 10 11:17:24 CEST 2019
I think you have to give (bandwidth) -bw 0.01 or any number according your
data in your command line.
On Sat, Aug 10, 2019, 07:45 Shan Jayasinghe <shanjayasinghe2011 at gmail.com>
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.
>
> Thank you.
>
>
>
>
>
> --
> Best Regards
> Shan Jayasinghe
> --
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