AMBER Archive (2004)

Subject: AMBER: Ewald calculation using PME for charged system

From: Byungchan Kim (bk385_at_columbia.edu)
Date: Fri Mar 05 2004 - 12:13:43 CST

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