Re: [AMBER] NPT 2 ns of equilibration

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Sat, 2 May 2020 15:44:56 -0400

You might want to zoom in, most of your plot is empty. It looks pretty flat
to me though.

On Sat, May 2, 2020, 2:27 PM Debarati DasGupta <
debarati_dasgupta.hotmail.com> wrote:

> Hi Amber users,
> Has the density equilibrated?
> Before doing 10 ns of NVT production, I equilibrated my system (NPT) for
> 2ns.
> This is the plot of Summary.DENSITY versus no of frames.
>
> [cid:image001.png.01D6208D.A256BF80]
>
> Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for
> Windows 10
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat May 02 2020 - 13:00:02 PDT
Custom Search