The membranes were then allowed to equilibrate at the simulation temperature for 2 µs and the production runs were considered to occur between 2 to 2.5 µs (Table ). The simulation temperature was kept at 288 K, which is below the experimental T m of both MMG-1 (332.15 K) and MMG-6 (291.15-295.15 K). 11 To ensure the correct target temperature throughout the system, Langevin dynamics were applied. Semi-isotropic pressure coupling was applied along the xy-and the z-directions using the c-rescale barostat 36 with a compressibility of 4.5 × 10 -5 and a 5.0 ps time constant to achieve a pressure of 1 bar. The center of mass translational velocity was removed for the whole system.