Includes inputs - protein, ligands and complexes directory for an ATM self-rbfe run
Includes inputs - protein, ligands and complexes containing the bias potential for the torsions of the ligand for an ATM-metaD self-rbfe run
Includes directories of the ligands for simulation in solution with the metadynamics (also contains the collected bias potential)
Includes complexes with torsional restraints .cntl to calculate the ligand reorganization energy.