[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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list