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For a comparison, simulations using MARTINI potential were performed for air/water interface using the Gromacs simulation software. Surface tension calculations were performed using the Gromacs g-energy tool. All simulations were carried out at 323 K in an NVT ensemble with temperature controlled by coupling to Berendsen thermostats. For pure water surface tension calculations, the box dimensions were 6.5 nm in x and y with a total of 5128 CG water sites. For the DPPC monolayer simulations, each system consisted of 64 monomers in each monolayer leaflet with roughly 5000 CG waters. Each system was equilibrated for 40 ns followed by 100 ns production runs with a 20 fs timestep.
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