AMBER Archive (2003)

Subject: AMBER: handling non neutral systems

From: hagop demirdjian (hagop.demirdjian_at_ens.fr)
Date: Thu Nov 06 2003 - 09:31:19 CST

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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