[gmx-users] Re: water medium

[tahereh tekieh]

but it over writes on the previous status.

On Wed, May 19, 2010 at 2:12 PM, Thomas Schlesier <schlesi at uni-mainz.de>wrote:

> 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 <golesang80 at gmail.com>
> Subject: Re: [gmx-users] water medium
> To: jalemkul at vt.edu, Discussion list for GROMACS users
>        <gmx-users at gromacs.org>
> Message-ID:
>        <AANLkTikvKsQeLk-hU04toj6A_Fg2iqwRlCx0Xj_jntvL at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
>
> 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 <jalemkul at 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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