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Autogrid4 Unknown receptor type: #308

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HeheHahaHoHoHo opened this issue May 3, 2024 · 1 comment
Open

Autogrid4 Unknown receptor type: #308

HeheHahaHoHoHo opened this issue May 3, 2024 · 1 comment

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@HeheHahaHoHoHo
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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
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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>

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