Autodock Query: How to Freeze the Torsion Angles of Ligand during Docking?

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Waseem Ahmad Ansari

Gourav Das Hi

You must set torsion '0' in Autodock using the ligand module and prepare the ligand for docking. I hope it will work.

Soykan Agar

Hello, you should also choose your ligand as the static molecule rather than a flexible one so that its torsions can be minimized.

Gourav Das

Thank you Waseem Ahmad Ansari and Soykan Agar for your answers. But I could not solve the problem. Can you kindly suggest how to choose the ligand as a static molecule?