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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.
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