AMBER Archive (2003)

Subject: RE: question on EWALD

From: Sichun Yang (syang_at_physics.ucsd.edu)
Date: Mon Feb 17 2003 - 17:28:00 CST


Thank you, Yong.
I will have a trial.

Sichun

> across the unit cells. These are described in the manual. Of course,
> this typical 0.8g/cc is not really the state that you try to simulate.
> To reach a reasonable density (around 1g/cc), one needs to conduct a
> relatively short simulation at room temperature with NPT. This is the
> justification. I am not sure what do you mean by physics.
>