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
[EMAIL PROTECTED] 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: [EMAIL PROTECTED]
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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