Description:

1) "tunnels-plaf" is a tar file that contains snapshots, scripts and configuration file to run Caver analysis.
2) "pulling_substrate" is a tar file that includes sMD data for different substrates extracted from membrane into mono/dimer PlaF or in solvant. Due to the size, it is accessible from here: https://uni-duesseldorf.sciebo.de/s/Kfkjsx99TL0pOt9 .
3) "sampling_substrate" is a tar file for sampling data and PMF calculation for substrate access into mono/dimer PlaF or in solvant. Due to the size, it is accessible from here: https://uni-duesseldorf.sciebo.de/s/Kfkjsx99TL0pOt9 .
4) "e_density" is a tar file for data that was used to calculate the electron density profile for systems with and without PlaF.
5) "tail-flip" is a tar file for data that was used to analyse the flipping of acyl chains for systems with and without PlaF.
6) "foldX" is a tar file that includes built models of PlaF variants and corresponding caver analysis.
7) "product_egress" is a tar tar file for product egress sim. data, and also includes script to measure product distance to tunnel entrance. Due to the size, it is accessible from here: https://uni-duesseldorf.sciebo.de/s/Kfkjsx99TL0pOt9 .

NOTE: to de-compress the files:
        1. go to the specific (sub)folder
        2. tar -jxvf filename.tbz2