(4) a 0.1 M concentration of Na+ and Cl-ions were added to neutralize the system. The system for GLIC (prior to applying phbuilder) was prepared using CHARMM-GUI and it contained ≈62000 CHARMM TIP3P water molecules, 489 POPC lipids and 0.15 M concentration of Na+ and Cl-ions. Arginine was simulated as an Ala-Arg-Ala tripeptide with capped termini (Figure ). The box size was ≈5x5x5 nm 3 , and the system contained ≈5000 CHARMM TIP3P water molecules and 0.15 M concentration of Na+ and Clions. For all the simulated systems, the input configurations, together with topology and run parameters, are provided as Supporting Information.