AMBER: Ewald calculation using PME for charged system

From: Byungchan Kim <>
Date: Fri, 5 Mar 2004 13:13:43 -0500 (EST)


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
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Received on Fri Mar 05 2004 - 18:53:00 PST
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