Hi Florian,
I believe the ion parameters are the Aaqvist parameters:
http://pubs.acs.org/doi/abs/10.1021/j100384a009
Cheers
Tom
Dommert Florian wrote:
Hello,
there are several ion non-bonded ion parameters provided in the OPLS-AA
files of Gromacs, and the reference from an article Jorgensen et al.
from 2001. However I was not able to find the corresponding atom types
in this article and so far also not in any other article of the OPLS-AA
authors. Does anyone have an idea where these parameters come from ?
/Flo
--
Dr Thomas Piggot
University of Southampton, UK.
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