Dear David,
Thank you so much for pointing out that paper.
I’ll take a look at it, hoping I’ll get what I need.
Sincerely,
Ruth
> On 15 Nov 2016, at 14:04, David A Case <david.case.rutgers.edu> wrote:
>
> On Tue, Nov 15, 2016, Ruth Helena Tichauer wrote:
>>
>> 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..
>
> I don't think you need to do this all by yourself, since Mg2+ is a well
> studied ion. You might start here:
>
> %A M.T. Panteva
> %A G.M. Giambasu
> %A D.M. York
> %T Force Field for Mg2+, Mn2+, Zn2+, and Cd2+ Ions That Have Balanced
> Interactions with Nucleic Acids
> %J J. Phys. Chem. B
> %V 119
> %P 15460-15470
> %D 2015
>
> ...dac
>
>
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Received on Tue Nov 15 2016 - 05:30:03 PST
