Autogrid4 Unknown receptor type:

ccsb-scripps / AutoDock-Vina

AutoDock Vina

http://vina.scripps.edu

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Autogrid4 Unknown receptor type: #308

Open HeheHahaHoHoHo opened 2 months ago

HeheHahaHoHoHo commented 2 months ago

Hi All, My protein contains a Ni metal. I thought the parameter file was the parameter files in AutoDock-Vina/data AD4Zn.dat vs AD4_parameters.dat so i put Ni into those files. However, im still getting the same error

autogrid4: ERROR: Unknown receptor type: "Ni" -- Add parameters for it to the parameter library first!

Which parameter file am i suppose to change then?

Thanks

rwxayheee commented 2 months ago

Hi @HeheHahaHoHoHo This official guide might be helpful for you to introduce new atom types for autogrid/autodock4. You may use the full path to specify a custom parameter file, in .GPF (grid parameter file): parameter_file <existing atomic parameter file name>