Addition of atom type in AutoDock Vina

Browse QuestionsCategory: QuestionsAddition of atom type in AutoDock Vina
Oualid Bellag asked 3 months ago

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

1 Answers
Muniba Faiza Staff answered 3 months ago

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?

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