[gmx-users] Ion parameters in OPLS AA force field

[Thomas Piggot]

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.