Use genion multiple times.
If you want to insert Na+ and K+, then first use genion with one and
then with the other ion.
Greetings
Thomas
Message: 5
Date: Wed, 19 May 2010 11:37:09 +0430
From: tahereh tekieh <golesan...@gmail.com>
Subject: Re: [gmx-users] water medium
To: jalem...@vt.edu, Discussion list for GROMACS users
<gmx-users@gromacs.org>
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<aanlktikvksqelk-hu04toj6a_fg2iqwrlcx0xj_jn...@mail.gmail.com>
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but genion only accepts one type of ion, how can we insert different types?
On Tue, May 18, 2010 at 3:38 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> >
> >
> > tahereh tekieh wrote:
> >
>> >> dear friends
>> >> i want to simulate a water medium in which 5 types of different
ions flow
>> >> in it. how can i do that with gromacs?
>> >> thanks
>> >>
>> >>
> > Assuming they are monoatomic, you can use genion after you have added
> > water. If they are polyatomic, use genbox -ci -nmol (before
filling the box
> > with water).
> >
> > -Justin
> >
> > --
> > ========================================
> >
> > Justin A. Lemkul
> > Ph.D. Candidate
> > ICTAS Doctoral Scholar
> > MILES-IGERT Trainee
> > Department of Biochemistry
> > Virginia Tech
> > Blacksburg, VA
> > jalemkul[at]vt.edu | (540) 231-9080
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> >
> > ========================================
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