[AMBER] NPT 2 ns of equilibration

From: Debarati DasGupta <debarati_dasgupta.hotmail.com>
Date: Sat, 2 May 2020 18:27:21 +0000

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

B0733312BAC94E73B2EB1B733D5DF6AE.png
(image/png attachment: B0733312BAC94E73B2EB1B733D5DF6AE.png)

Received on Sat May 02 2020 - 11:30:02 PDT
Custom Search