The atomistic bilayer patches were constructed using the CHARMM-GUI Membrane Builder tool . The CHARMM36 force field (FF) and the TIP3P water model were used, and the systems were neutralized with 0.15 M NaCl. The systems were first minimized using the steepest descent algorithm for 5000 steps, followed by 6 steps of relaxation, each 1 ns long with a timestep of 1 fs, where position restraints on headgroups and dihedrals were gradually lowered from 1000 to 0 kJ mol -1 nm -2 . For the production run, the timestep was increased to 2 fs.