Thanks for the response.
I am just questioning general stuff. I read the FAQ on the web.
But still qurious, even though people did not mention how they neutralize
a system in an article, does it mean that they neutralize the system
anyway?
On Tue, 9 Mar 2004, David A. Case wrote:
> On Tue, Mar 09, 2004, Byungchan Kim wrote:
> > >
> > > 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?
>
> Ewald (or PME) on charged systems implicitly include a uniform "neutralizing
> plasma" that makes the whole system net neutral.
>
> See http://amber.scripps.edu/Questions/mail/103.html.
>
> ...dac
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Mar 09 2004 - 23:53:00 PST
