Voltage controlled iontronic switches: a computational method to predict electrowetting in hydrophobically gated nanopores

Folder with numbered names ("0", "0.1", "n0.5") have the data from restrained molecular dynamics (".dat") and some trajectories (".xyz") at the applied voltage corresponding to the name of the folder. "n" in the folder name correspond to the negative voltages. Folders "wetting" and "drying" contain the data used to compute the wetting and drying rates at different applied voltages using Molecular Dynamics.