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Autogrid4 Unknown receptor type:

Open HeheHahaHoHoHo opened this issue 9 months ago • 1 comments

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

HeheHahaHoHoHo avatar May 03 '24 03:05 HeheHahaHoHoHo

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>

rwxayheee avatar May 03 '24 16:05 rwxayheee