You may try to measure the adsorption of ions into the protein rather than dock.

Hi Chetan,

Have a look at below link,

https://www.researchgate.net/post/How_can_I_dock_metal_compounds_in_AutoDock

Hi Sir,

You can Use Autodock4 or AutodockVina offline tools for Docking. Also u can use FlexX and Glide commercial software for the docking calculations

Hi sir,

You can use Autodock4 itself. Please refer this link : http://autodock.scripps.edu/faqs-help/how-to/adding-new-atom-parameters-to-autodock