Hi,
When running docking on AutoDock Vina for one of my ligands, I got an error
“arse error on line 69 in file “cmpd A.pdbqt”: ATOM syntax incorrect: “B” is not a valid AutoDock type”
Can you please show how one can add atom types and do the necessary calibration.
Best Regards
User Changed status to publish November 23, 2024
At what step are you getting this error? I guess while preparing pdbqt.
But I just tried to prepare the same compound using ADT, I did not get any such error.
What charges are you using for ligand?
User Changed status to publish November 23, 2024