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. 2022 Feb 3;18(3):1726–1736. doi: 10.1021/acs.jctc.1c01217

Figure 9.

Figure 9

Lipid21 area per lipid results for POPS and POPG simulations using K+, Na+, or Ca2+ counterions modeled with ff99 or JC parameters. Only the K+ ff99 simulations maintain an area per lipid close to the experimental value.