Open Aochzh opened 3 months ago
Hello!
I was trying to perform docking of ligands containing Ga, Tc or Re metal ions.
I got errors like: Atom type is not a valid AutoDock type (atom types are case-sensitive).
I can only find a tutorial about how to add atom types to autodock 4 (https://autodock.scripps.edu/how-to-add-new-atom-types-to-the-autodock-force-field/). However, this does not work for Vina.
I wonder is there a way to make Vina possible to perform docking of ligands containing heavy metal ions, like the way mentioned in the link above? Thank you!
Hello!
I was trying to perform docking of ligands containing Ga, Tc or Re metal ions.
I got errors like: Atom type is not a valid AutoDock type (atom types are case-sensitive).
I can only find a tutorial about how to add atom types to autodock 4 (https://autodock.scripps.edu/how-to-add-new-atom-types-to-the-autodock-force-field/). However, this does not work for Vina.
I wonder is there a way to make Vina possible to perform docking of ligands containing heavy metal ions, like the way mentioned in the link above? Thank you!