Re: [AMBER] dysprosium vdw parameters

From: Barbault Florent <florent.barbault.univ-paris-diderot.fr>
Date: Sat, 29 Oct 2016 18:43:41 +0200

Hi Pengfei,

Thank you very much.

Regards
Florent



On Fri, 28 Oct 2016 13:18:02 -0500
  Pengfei Li <ambermailpengfei.gmail.com> wrote:
> Hi Florent,
>
> This paper has its VDW parameters: Li, P.; Song, L. F.; Merz Jr, K.
>M., Parameterization of Highly Charged Metal Ions Using the 12-6-4
>Lj-Type Nonbonded Model in Explicit Water. J. Phys. Chem. B 2015,
>119, 883-895.
>
> Kind regards,
> Pengfei
>
>> On Oct 28, 2016, at 7:12 AM, Florent Barbault
>><florent.barbault.univ-paris-diderot.fr> wrote:
>>
>> Dear amber users,
>>
>> I am looking for the van der Waals parameters for Dy3+ (dysprosium).
>>I
>> have its Rmin value but I am still looking for the depth of the
>> potential well (epsilon). Have you already being faced to this
>>element?
>> Any advices to get this one?
>>
>> Regards
>> Florent
>>
>>
>> --
>> -------------------------------------------------
>> Dr Florent Barbault
>> Maitre de conferences / Associate professor
>>
>> Universite Paris Diderot
>> Laboratoire ITODYS
>> 15 rue Jean de Baïf, bâtiment Lavoisier
>> 75013 Paris FRANCE
>> http://florentbarbault.wordpress.com/
>> tel : (33) 01-57-27-68-61
>> e-mail : florent.barbault.univ-paris-diderot.fr
>> -------------------------------------------------
>>
>>
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-------------------------------------------------
Dr Florent Barbault
Maitre de conferences / Associate professor

Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://florentbarbault.wordpress.com/
tel : (33) 01-57-27-68-61
e-mail : florent.barbault.univ-paris-diderot.fr
-------------------------------------------------

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Received on Sat Oct 29 2016 - 10:00:02 PDT
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