[gmx-users] Ionic liquid parameters

[Sampo Karkola]

Hi,

thanks for the info! I also found a force field for AMBER.

J. N. Canongia Lopes, J. Deschamps, A. A. H. P$dua, J. Phys. Chem. B.
2004, 108, 2038 –2047.

Sampo

micaelo at itqb.unl.pt wrote:
> Dear gmx users.
> 
> I see that are people in the list asking for ionic liquids parameters.
> I have been working on ionic liquids and I recently published the 
> parameterization of two ionic liquids ([BMIM][PF6] and [BMIM][NO3]) for 
> the gromos force field using gromacs.
> 
> The parameters are published in: Micaelo, N.M., Baptista, A.M., Soares, 
> C.M. (2006) "Parameterization of 1-Butyl-3-Methylimidazolium 
> Hexafluorophosphate/Nitrate Ionic Liquid for the GROMOS force field", 
> J.Phys.Chem.B, 110, 14444-14451.
> 
> Have fun.
> 
> Nuno Micaelo
> 
>         E-mail: micaelo at itqb.unl.pt
>       www: www.itqb.unl.pt/~micaelo/
>            Phone: (351)214469611
>             Fax: (351)214411277
> 
> Instituto de Tecnologia Química e Biológica
>           Protein Modeling Group
>        Apartado 127 2781-901 Oeiras
>                  Portugal
> 
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