Re: [AMBER] how to add Mg2+

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 27 May 2010 14:09:24 -0400

On Thu, May 27, 2010 at 1:44 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> To neutralize:
>
> > addIons enzyme MG2 0
>
> Not sure what happens if the solute has odd charge.
>

It truncates the left-over charge (i.e., it'll add enough ions to bring it
down to a -1 charge).

It added 0 MG2 ions to an ASP residue (-1 charge).

All the best,
Jason


> Bill
>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu May 27 2010 - 11:30:06 PDT
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