Re: [AMBER] Addions Na+

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 22 Sep 2015 15:33:44 -0400

On Tue, Sep 22, 2015 at 3:20 PM, Marcelo Andrade Chagas <
andrade.mchagas.gmail.com> wrote:

> Dear AMBER of the list,
>
> I tried before
>
> addions mol Na 0
>

​Should be NA, or Na+ (preferably NA, since that's the PDB standard).



> that's right?




> It needs to load amberparams file for these counter-ions or
> the neutralization is carried out in a single command line, as shown above
> attempted and?
>

​Have you consulted the section about ions in the AmberTools manual yet?

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Sep 22 2015 - 13:00:04 PDT
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