I'd check this:
Developing Monovalent Ion Parameters for the Optimal Point Charge (OPC)
Water Model
Daniel E Clark John C Dood Brent P Krueger
https://doi.org/10.1096/fasebj.31.1_supplement.761.24
On Mon, Jan 25, 2021 at 1:07 PM Sebastian Oleksy <so389.chem.rutgers.edu>
wrote:
> Hello,
>
> I will be running MD simulations on a nucleic acid system, using the
> 4-site OPC water model in combination with the RNA.OL3 force field. I was
> wondering what specific monovalent ion parameters would be best to use here
> – Li/Merz 12-6 HFE set, 12-6 IOD set, or even J/C_tip4pew? Others? Or would
> perhaps OPC3 be better than the 4-site OPC model for this? If anyone has
> any experience or guidance, it would be much appreciated. Thank you.
>
> Respectfully,
> Sebastian Oleksy
>
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Received on Mon Jan 25 2021 - 13:00:02 PST
