Re: [AMBER] dysprosium vdw parameters

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Fri, 28 Oct 2016 13:18:02 -0500

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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Received on Fri Oct 28 2016 - 11:30:02 PDT
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