PME with charged system

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From: Marcela Madrid <mmadrid_at_psc.edu>
Date: Tue 15 Aug 2000 10:31:04 -0400

Hi

Is there a way to use PME on a system that has a net charge
of +1 ? What kind of error would that introduce?
I am trying to calculate the difference in free energy between a neutral
system and one with a charge of +1.
thank you, Marcela
Received on Tue Aug 15 2000 - 07:31:04 PDT

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