I'm trying to simulate molecular docking with the help of autodocktools. I have added all hydrogens to the protein, computed charges and assigned AD4 type, and the pdbqt file was saved. After that, I adjusted the parameters of grid box and output a gpf file successfully. However, when I run autogrid, the software interface suddenly disappeared and the cmd reported an error: Too many atoms in receptor PDBQT file......the maximum number of atoms, AG_MAX_ATOMS, allowed is 32768...... Sorry, AutoGrid cannot continue. So I want to know whether there is a method to increase the allowed maximum atoms of autodock? Or should I adjust the number of hydrogens or give up this protein? Thanks you!

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