AMBER Archive (2006)

Subject: AMBER: counterions and particle-mesh-ewald

From: cristian obiol (
Date: Tue Aug 29 2006 - 03:06:20 CDT

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.
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