Hi,

At first, you should add the Se atom parameters to the AD4_parameter.dat file.

Se parameters:

atom_par Se 4.21 0.291 14.000 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding

Save and paste the modified dat-file to the folder whit the autodock4 and autogrid4 exe-files (C:\Program Files (x86)\The Scripps Research Institute\Autodock\4.2.6).

Thereafter, you have to add the following command "parameter_file AD4_parameters.dat" (without quotes) to the top of the gpf- and dpf-files.

Now the AutoDock is ready for docking of the Se-containing compounds :)

A similar question was also resolved here:

https://www.researchgate.net/post/How-to-add-Cobalt-atomic-parameter-in-autodock-42

Good luck!