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 - 10:30:02 PST
