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
