Dear Hector,
Thank you for the contact.
I’ll do so!
Best regards,
Ruth
> On 16 Nov 2016, at 14:06, Hector A. Baldoni <hbaldoni.unsl.edu.ar> wrote:
>
> Dear Ruth,
>
> Please contact Professor Aradi:
>
> Dr. Balint Aradi
> aradi.uni-bremen.de <mailto:aradi.uni-bremen.de>
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b_aradi/ <http://www.bccms.uni-bremen.de/cms/people/b_aradi/>
>
> Greeting,
> Hector.
>
>
>
>> Dear Gustavo,
>>
>> Thank you anyway for the helpful insight on this subject!
>> Sincere regards,
>>
>> Ruth
>>
>>
>>> On 16 Nov 2016, at 13:26, Gustavo Seabra <gustavo.seabra.gmail.com <mailto:gustavo.seabra.gmail.com>>
>>> wrote:
>>>
>>> Hi Ruth,
>>>
>>>
>>>> Em 15 de nov de 2016, Ã (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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>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
>>
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>
>
> --------------------------------------
> Dr. Hector A. Baldoni
> Profesor Adjunto (FQByF-UNSL)
> Investigador Adjunto (IMASL-CONICET)
> Area de Quimica General e Inorganica
> Universidad Nacional de San Luis
> Chacabuco 917 (D5700BWS)
> San Luis - Argentina
> hbaldoni at unsl dot edu dot ar
> Tel.:+54-(0)266-4520300 ext. 6157
> --------------------------------------
> -.The theoretical approach these days can predict/show almost anything,
> but the ultimate truth lies in the experiment.-
>
>
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Received on Fri Nov 18 2016 - 07:30:04 PST
