[gmx-users] ion parameters in amber99sb

Mark Abraham mark.j.abraham at gmail.com
Tue Oct 4 15:08:45 CEST 2016


Hi,

Looking back through the git history is a useful way to start.

Mark

On Tue, Oct 4, 2016 at 2:59 PM Irem Altan <irem.altan at duke.edu> wrote:

> Anyone have an idea where the ion parameters came from? Is there a
> reference, etc.? It’s not documented anywhere as far as I can see.
>
> Best,
> Irem
>
> > On Oct 3, 2016, at 3:40 PM, Irem Altan <irem.altan at duke.edu> wrote:
> >
> > Hi,
> >
> > I was wondering, where do the Lennard Jones parameters for ions come
> from in the amber99sb force fields ported in gromacs?
> >
> > Best,
> > Irem
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