very slow working of AutoDock Vina extended



  • Dear Samson,
    I am running Auto Dock Vina extended with a library of 7 compounds. I started the run at 9 PM on 11 Nov 2019 and as I send the screenshot of 12 Nov 2019, it just completed 23%. Is it the normal time vina takes in Samson or there is any other issue. My receptor is 379 aa long and it is monomer.

    Thank You

    0_1573538392703_83dd13f4-ce4b-4b9d-bbb2-f27b70ec3211-image.png



  • Dear Sudhir, calculation time depends on the exhaustiveness (the higher the slower, but the more exhaustive the search is), the number of rotatable bonds in the ligands (each rotatable bond adds a search dimension) and the number of cores on your computer (the module takes all cores minus one, so your computer remains responsive). This seems normal.


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