Autogrid 4: ERROR: unknown ligand atom type Au ? - FAQS.TIPS

Muhammad Abbas @Muhammad_Abbas43

04 April 2017 1 3K Report

I am trying to use a gold Complex as my ligand, but when I run autogrid it gives this error:

"autogrid4: ERROR: unknown ligand atom type Au

add parameters for it to the parameter library first!"

Expert advice needed.

Bakary Ntji Diallo

"AutoDock version 4.0 has parameters for H, C, N, O, F, Mg, P, S, Cl, Ca, Mn, Fe, Zn, Br and I. What do you do if your molecule has an atom type that isn't already parameterised?"

It is possible to add new atom types:

http://autodock.scripps.edu/faqs-help/faq/how-do-i-add-new-atom-types-to-autodock-4

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