AMBER: counterions and particle-mesh-ewald

From: cristian obiol <>
Date: Tue, 29 Aug 2006 10:06:20 +0200

Dear AMBER users,

I'm worried about the following question :

I have performed some molecular dynamics without neutralizing the system ( no
counterions ) and using periodic boundary conditions with particle-mesh-ewald

It's correct a dynamics with PME and without counterions ??

Cristian Obiol
Modeling of Biological Systems and
Drug Design Research Group
University of Barcelona.
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Aug 30 2006 - 06:07:14 PDT
Custom Search