I would like to add a new atom type for using a bias docking. This atom type is not similar to any other atom in the original parameter file because it's a dummy atom with no radius or charge. Currently, I can only derive new atom types from other atom already parametrized. Another thing I tried is importing dpf file that points to a modified parameter_file but it doesn't recognize the new atom type (this option doesn't seem to be implemented).
Is there a way to create a new atom type with others parameters? Or is there a way to modify the reference parameter file that autodock-gpu uses?
I would like to add a new atom type for using a bias docking. This atom type is not similar to any other atom in the original parameter file because it's a dummy atom with no radius or charge. Currently, I can only derive new atom types from other atom already parametrized. Another thing I tried is importing dpf file that points to a modified parameter_file but it doesn't recognize the new atom type (this option doesn't seem to be implemented). Is there a way to create a new atom type with others parameters? Or is there a way to modify the reference parameter file that autodock-gpu uses?