Small molecules permeation / transport through biomembranes analysis in molecular dynamics (MD) simulations.
It requires PMX:
https://github.com/dseeliger/pmx
Please download it to ./pmx directory and build there.
Those files are working copies of the software used in the analyses in my scientific work published in
Plesnar, E.; Szczelina, R.; Subczynski, K.W.; Pasenkiewicz-Gierula, M.; ,,Is the cholesterol bilayer domain a barrier to oxygen transport into the eye lens?'', Biochimica et Biophysica Acta (BBA) - Biomembranes (2018), Vol. 1860, Iss. 2, Pages 434–441, doi:10.1016/j.molliq.2019.112002.
Please consider citing this work if you use any of the presented code.