ADL: How to get all the conformations which is mentioned in number of modes by using Autodock vina ?
vmahesh at ibab.ac.in
Tue Dec 3 11:40:12 PST 2013
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.
If number of mode =50 mean we want to get these all 50 conformation with
NOTE: Even I tried the option changing energy_range but I coulnt get all
conformations , could someone help to me to resolve this problem ?
More information about the autodock