Parse error in Autodock Vina?

07 October 2022 0 8K Report

Any suggestions to solve "Parse error on line __ in file "xys.pdbqt": ATOM syntax incorrect: "Ba" is not a valid Autodock type."

Suggestions on appropriate usage of parameters such as:

atom_par Ba 3.70 0.364 12.0000 -0.00110 0.0 0.0 0 -1 -1 2 # Non H-bonding

to solve this error will be greatly appreciated.

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