The project was conducted in several stages. Files and folders corresponding to the project carried out by P. Apostolakis are named 2018_xxx. Files corresponding to the project carried out by S. Borg are named 2019_xxx.
* **Parameter_files**: .rtf and .prm files.
* **pdb_files**: Shaker and Shaker-ligand complexes
* **plots**: contact-frequency plots and time-series plots
* **scripts**: script for contact-frequency and
time-series plots
* **Literature**: reports
* **Trajectories**: indicates where files are located on our internal storage.
* **Shaker numbering**: contains correspondance between numbering in Shaker PDB file and Shaker original sequence.