AMBER: handling non neutral systems

From: hagop demirdjian <hagop.demirdjian.ens.fr>
Date: Thu, 06 Nov 2003 16:31:19 +0100

Hello all,

I am currently simulating halide anions (F-, Cl-) in a box of 300 water.

The total charge is thus -1.

I have a few questions :

-Does anyone know if that causes any artefact.
-Is there a way of handling that without inroducing a counter ion ?

-Any bibliographic source you know of that may help ?

Thank you for your help,
Hagop.


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Received on Thu Nov 06 2003 - 17:53:01 PST
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