AMBER Archive (2004)

Subject: AMBER: Ewald calculation using PME for charged system

From: Byungchan Kim (bk385_at_columbia.edu)
Date: Tue Mar 09 2004 - 15:04:31 CST

Hi All.

I am reposting my question because I couldn't get any answer yet.
Please explain it if you know anything about my question.
My question is general not only for AMBER.
Have a great day.

On Fri, 5 Mar 2004, Byungchan Kim wrote:

> Hi!
>
> As far as I know, ewald calculation for electrostatics should be performed
> on neutral system. But I found several articles in which I think ewald was
> performed on charged system. I mean total net charge of the molecular
> system is not zero. So is it correct to use ewald for charged system?
>
> Byungchan Kim
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu