Try specifying the charge of the ions in the command, ie addions mol Na+ 0
Best,
Kenneth
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
>
> 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?
>
> Best regards
>
> Marcelo Andrade Chagas, MSc
> (PhD student)
> Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> * http://lqcmm.qui.ufmg.br/
> Departamento de Química da Universidade Federal de Minas Gerais - UFMG
> Tel:(31)3409-5776
>
> 2015-09-22 16:11 GMT-03:00 Bill Ross <ross.cgl.ucsf.edu>:
>
> > In leap try 'help addions'. You didn't specify the ion.
> >
> > Bill
> >
> > <div>-------- Original message --------</div><div>From: Marcelo Andrade
> > Chagas <andrade.mchagas.gmail.com> </div><div>Date:09/22/2015 11:52 AM
> > (GMT-08:00) </div><div>To: AMBER Mailing List <amber.ambermd.org>
> > </div><div>Subject: [AMBER] Addions Na+ </div><div>
> > </div>Dear AMBER of the list,
> > nando
> > I'm trying to neutralize my system by adding ions such as Na +
> > counter ions,
> > however, using the following
> >
> > In addions mol 0
> >
> > it's not working.
> >
> > How to?
> >
> > It needs to charge amberparams file for these monovalent ions or the
> > addition is a single command line in xleap ???
> >
> > Best regards
> >
> > Marcelo Andrade Chagas, MSc
> > (PhD student)
> > Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> > * http://lqcmm.qui.ufmg.br/
> > Departamento de Química da Universidade Federal de Minas Gerais - UFMG
> > Tel:(31)3409-5776
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Received on Tue Sep 22 2015 - 12:30:05 PDT
