Docking unsuccessful

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    • #150415
      Donnie Reyes

      I don't understand why i get this error when it didnt have this error in a different computer. I used the same input files….

      Check the docking message for 'Parse error on'
      This ligand failed to dock. Please check that all atoms are covered by the docking forcefield.
      Any atoms not covered by the forcefield should be added to atoms_to_replace in the function replace_atoms_not_handled_by_forcefield

    • #158776
      Jacob Durrant

      Much thanks for your interest in AutoGrow4. It's difficult to debug without more details, but I would guess that one or more of your starting compounds includes an atom that is not present in the Vina force field. It could be something like a boron atom, which I think can cause problems. I recommend checking the Vina documentation for more information. Take care.

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