On Tue, Nov 28, 2006, Jennie Thomas wrote:
>
> I am looking for some advice as to how to run a periodic system with
> a net charge within the box of -1. Looking at some old mailing list
> information, I found the following suggestion:
>
> http://archive.ambermd.org/200008/0040.html
>
As you note, that message refers to old versions of Amber. Both Amber8
and Amber9 "do the right thing" (tm): if there is a net charge, then a
neutralizing background is automagically added. User input is no different
for a neutral system than for a charged system.
....regards...dac
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Received on Wed Nov 29 2006 - 06:07:56 PST
