Classical molecular dynamics can provide insights into the mechanics of permeability at the atomic level by measuring the flow of molecules in the membrane. Simulations were carried out using the CHARMM36 force field for lipids and small molecules, which was supplemented by our reparameterization as stated above and provided in the Supporting Information.A combination of NAMD 2.14 and NAMD 3.0a9 was used as the molecular dynamics engine. Minimization was performed with NAMD 2.14, and unbiased simulations were performed using the GPU-resident integrator on NAMD 3.0a9 to maximize performance. A Langevin barostat was used to maintain pressure at 1 atm. Temperature was controlled using the Langevin thermostat at 298 K with 1 ps -1 damping. Hydrogen bonds were handled with SETTLE algorithm to enable 2 fs timesteps. Long-range electrostatic interactions were calculated with particle mesh Ewald (PME) grid with 1.2 Å. Energy minimization of the system was initially performed using the 1000 steps of conjugate gradient in NAMD. The system was then allowed to equilibrate for 50 ps in NPT ensemble using 5 Å margin to allow the box to adjust after any distortion from minimization prior to transitioning to the GPU-resident integrator. Simulations in the production NPT ensemble were run for 1 µs with default margin to maximize performance.