We implemented the C36/LJ-PME model in GROMACS and used it to perform simulations of pure air-water interfaces, lipid bilayers, and lipid monolayers-all with multiple water models. All performed simulations are briefly listed in Table . The setup, simulation, and analysis protocols are described in detail in the subsections below (other systems) or in the SI (lipid bilayers). All simulations were performed using GROMACS 2020. For e ciency and consistency with the the CHARMM implementation, all the LJ-PME simulations performed here with GROMACS used the Lorentz-Berthelot combination rules in the real space and the geometric combination rules in the reciprocal space.