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

Xavier Periole x.periole at chem.rug.nl
Tue Feb 17 15:38:01 CET 2004

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
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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

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