Supporting material of "A nonequilibrium alchemical method for drug-receptor absolute binding free energy calculations: the role of restraints"

Supporting material of the paper "A nonequilibrium alchemical method for drug-receptor absolute binding free energy calculations: the role of restraints". The directory is fully documented with README files. Differences of V2.0 with V1.0: Due to a software bug we had to re-parametrize the ligands whose torsions were parametized with ANI-2.X (ligand 6 and 7). During the peer reviewing process we also parametrized with ANI-2.X and docked ligand 8.