[gmx-users] K+ ions with ffG43a1 and Gr.3.2

[Xavier Periole]

Beaurain Francois wrote:

> Hello everybody
>
> I am just strarting with Gromacs and as almost beginners I have 
> problem with "exotic" ions.
> I had a look on the several messages about this topic. But 
> unfortunately, for me it still doesn't work.
>
> So I have two demands :
> - If potassium ion makes problems to everybody, why is it still not 
> implemented in Gromacs 3.2?
> - Can somebody make a very simple and detailed manual to introduce 
> ions in the forcefield. Something like "gromacs and ions for dooms", 
> where evey operaton is detailed step by step.
>
> Thank you
>
> Francois beaurain
> Postdoc student at sissa
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.

You just have to make sure to include ions.itp in your topology file

#include "ions.itp"

-- 
----------------------------------------------

   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: md.chem.rug.nl/~periole
   
----------------------------------------------