Detailed information on each equilibration step

1.NVT stands for constant volume and temperature, and NPAT for constant pressure, area, and temperature.
2.Force constants are in kcal/(mol·Å2).
3.Positional harmonic restraints.
4.Harmonic restraints to keep water molecules away from the membrane hydrophobic region.
5.Harmonic restraints to keep the lipid tail in –5 Å<Z<5 Å, and lipid head groups close to the membrane surface (Z = ±17 Å for DMPC and Z = ±19 Å for DPPC and POPC).