ADL: AutoDock 4.2 vs. AutoDock Vina

Kyle Cole kcole912 at gmail.com
Thu Jan 8 07:44:53 PST 2015


Hello Everyone,

I am trying to dock a ligand against my receptor using published
parameters. However, I am using AutoDock Vina, and the paper used AutoDock
4.2. There are some parameters that they published that I am unsure of
"ga_pop_size, 500; ga_num_evals, 10 000 000; ga_num_generations 500 000,
and ga_run, 250". They stated tthat they modified these parameters due to
the large size of the grid box that they used. First, what do these
parameters change, and how can I change them in Vina? Any help would be
greatly appreciated!

Thanks,

Kyle

-- 
Kyle Cole
Graduate Student
Boston College
Department of Chemistry
Merkert Chemistry Center
2609 Beacon Street
Chestnut Hill, MA 02467
USA

c <kyle.cole at bc.edu>oleky at bc.edu
(203) 525-8820


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