switching function for electrostaic interaction

From: divya nayar (divya.alchemist_at_gmail.com)
Date: Tue Nov 30 2010 - 10:13:58 CST

Hi,
I am trying to calculate the pair interaction energy between 2 water
molecules. I would like to know, what is the mathematical form of the
switching function that is used to avoid sudden truncation of poential at
cut-off. I am trying to manually reproduce the electrostatic component of
pair interaction energy but the values are not matching. This may be due to
te fact that I am not able to account for the switching functionused in
simulation/
can anyone tell me what is the mathematical form of the switching function?

Thanks,
D.N

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