[gmx-developers] Re: [gmx-users] genion II

[Anton Feenstra]

Pedro Alexandre de Araujo Gomes Lapido Loureiro wrote:
> 
> thank you for your reply.
> In fact, genion adds ions after water molecules.
> Following your suggestion, my .top file turned to look like this one:
> 
>  [ molecules ]
> > Protein               1
> > SOL           4687
> > Cl            1
> 
> ... and the grompp warning was not shown anymore.

That's good. I think that genion should have the option, like
genbox has, to modify your .top file for the additional atoms.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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