AMBER: AMBER question: perturbed charge twice the unperturbed

From: Edward M <pckboy.gmail.com>
Date: Sat, 8 Nov 2008 23:36:54 -0600

I was just wondering why the unperturbed charge is one half of the perturbed
one (or the other way around). Some time ago I read a justification on why
not neutralizing charge is ok for a very long cell, however this situation
makes me wonder.

Please help!

Regards

> charge CMPLX
Total unperturbed charge: -0.9998
Total perturbed charge: -1.9996
>

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Received on Fri Dec 05 2008 - 11:29:57 PST
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