[gmx-users] Re: water medium

[Thomas Schlesier]

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
 > >
 > > ========================================
 > > --
 > > gmx-users mailing list    gmx-users at gromacs.org
 > > http://lists.gromacs.org/mailman/listinfo/gmx-users
 > > Please search the archive at http://www.gromacs.org/search before 
posting!
 > > Please don't post (un)subscribe requests to the list. Use the www 
interface
 > > or send it to gmx-users-request at gromacs.org.
 > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
 > >
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
http://lists.gromacs.org/pipermail/gmx-users/attachments/20100519/39452e95/attachment-0001.html