[gmx-users] ion parameters in amber99sb

[Irem Altan]

Is this where I should be looking: http://repo.or.cz/gromacs.git/history/HEAD:/share/top/amber99sb.ff/ffnonbonded.itp
If so, there doesn’t seem to be much information there.

Best,
Irem

On Oct 4, 2016, at 9:08 AM, Mark Abraham <mark.j.abraham at gmail.com<mailto:mark.j.abraham at gmail.com>> wrote:

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<mailto: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<mailto: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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