ADL: How to get all the conformations which is mentioned in number of modes by using Autodock vina ?

Mahesh vmahesh at ibab.ac.in
Tue Dec 3 11:40:12 PST 2013


Hi all,

we have experimental data for four ligands , we try to fit those data 
with Autodock vina results so we increase the weightage of Hydrogen bond 
and Hydrophobic interactions.

Here our main goal is getting energy value for already defined pose so 
we want to get all the conformations with energy value which we 
mentioned in number of modes.

eg:-
If number of mode =50 mean we want to get these all 50 conformation with 
energy value.

NOTE: Even I tried the option changing energy_range but I coulnt get all 
conformations , could someone help to me to resolve this problem ?

Thank you all. <javascript:void(0);>


More information about the autodock mailing list