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

Thomas Piggot t.piggot at soton.ac.uk
Tue Mar 20 15:08:36 CET 2012

Hi Florian,

I believe the ion parameters are the Aaqvist parameters:




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.

More information about the gromacs.org_gmx-users mailing list