kmorisa

Issue with using ad4 ff with python

25

I am writing a python script and encountered with a following error: ... v = vina.Vina(sf_name='ad4', verbosity=1, seed=selectedSeed) ... v.set_receptor(rigid_pdbqt_filename=="xxx.pdbqt",flex_pdbqt_filename="yyy.pdbqt") ... ERROR: Only flexible residues allowed with the AD4 scoring...