I want to increase the number of conformations which is by default 10. I want to get 100 conformations of a single ligand. Is it possible using autodock vina or any other software?
You can set it with the syntax --num_modes 100, but I would recommend you to also increase --exhaustiveness and --energy_range so it would allow generating more diverse binding poses and scores.
Anyway, why would you need that many conformations? As a general practice, people only care about the best-scored pose?
@Thua-Phong Lam thanks brother. I will try this. Actually, my employer asks me to increase the number of conformations so that statistically we may get more validated results.