Dear Manas!

Some of the lines in your configuration file is missing. Kindly find the complete config test file from the attachment.

We can able to adjust the GA runs 

"num_modes = 10" (Representing 10 conformations)

Hi D. Mani Maran,

Thank you! I didn't write the num_modes because I used default condition where 9 conformations were generated. I know that the num_modes command represents the number of conformation that Vina will produce. But I was wondering, is it also representing the number of GA runs?

Upto my knowledge, I cant figure out from your query. But please go to the website as;

AutoDock Vina actually uses a united-atom scoring function.Unlike in AutoDock 4, in AutoDock Vina, each run can produce several results: promising intermediate results are remembered. These are merged, refined, clustered and sorted automatically to produce the final result. 

Refer http://vina.scripps.edu/manual.html

Hi Sridhar Sundaram,

Thank you for your explanation. I think I understand it now. I already read the information on the website before. But since I'm new in this field, I don't have background so I don't really understand the mechanism beneath it.

Another thing is, what is the exhaustiveness really mean? What are the things that determine how much value of exhaustiveness that I should set? And is there any limit of exhaustiveness?

Hi Mr Manas 

In my perspective  exhaustiveness  parameter determine  number  of search to find best conformation,actually you increase search detail so your docking time its be longer.

akbari

Hi Mr Akbari,

Okay. I understand now. Thank you very much! :)

Hi !

even if i am keeping exhaustiveness =15 or more , it's still giving me 9 conformations only ! Is there any way to increase the numbber of conformations ?

add

num_modes = 20

Manimaran D Sir ,what should be the specified number of runs in Autodock 4.2 ?

Are 50 runs enough ?

Risha Hazarika For docking in ADT 50-100 runs is good enough.