[AMBER] OPC monovalent ion parameters

From: Sebastian Oleksy <so389.chem.rutgers.edu>
Date: Mon, 25 Jan 2021 18:07:26 +0000


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.

Sebastian Oleksy

AMBER mailing list
Received on Mon Jan 25 2021 - 10:30:02 PST
Custom Search