sodium ion in water

From: divya nayar (
Date: Thu Aug 11 2011 - 00:17:27 CDT

I want to simulate one sodium ion in 255 molecules of water (SPC/E). The
ion will be considered as charged Lennard Jones sphere and I am using
Dang-Smith paramters for the sodium ion. I would like to ask, what should I
do to define a compensating electric field for my system because my system
is not neutral?

Can anyone suggest on the above or some reference ?


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