The S CH were calculated directly using the Eq (1). The S CH of each C-H bond was gained by calculating first the S CH of each individual lipid over time separately, and then calculating the average and the standard error of mean over different lipids. This analysis was performed using the Python program calcOrderParameters.py from NMRlipids github . The program uses the MDAnalysis library . Number densities were obtained by using the gmx density tool in GROMACS software package . Desmond files were converted for analysis into GROMACS format using VMD for trajectories and convert.py by Intermol (87) for other files. After convert.py conversion, names of the waters and ions, and individual representation of ions were manually modified to match the other files.