AMBER Archive (2006)

Subject: AMBER: Periodic simulations with net charge

From: Jennie Thomas (
Date: Tue Nov 28 2006 - 18:47:32 CST

Hi Amber users,

I am looking for some advice as to how to run a periodic system with
a net charge within the box of -1. Looking at some old mailing list
information, I found the following suggestion:

However, this option doesn't seem to work any longer. Is there
another recommended way to run this simulation? I am interested in
finding out if there is a way to run periodic systems with net charge
or if it's necessary to always use a background charge that
neutralizes the system.

Thanks in advance for your help!
Jennie Thomas
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