Hi Ruth,
> Em 15 de nov de 2016, à(s) 06:47, Ruth Helena Tichauer <rhtichau.laas.fr> escreveu:
>
> As I have no experience in generating parameters, would you please point out to me a way/tutorial that I could follow to generate such dispersion parameters for Mg2+ ion? I wonder if such a thing could be achieved with antechamber..
Unfortunately, I am not aware of any such tutorial. All I can suggest is to take a look into the original articles and see how they did it, and maybe contact the original authors.
As Dave suggested, Mg being such a well studied ion, you may also be able to find the parameters already in the literature.
All the best,
Gustavo.
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Received on Wed Nov 16 2016 - 04:30:02 PST
