ADL: AD3 vs AD4 tutorial example

lu liu luliucmu at gmail.com
Tue Aug 7 13:58:04 PDT 2007


I also run into this problem. Now I am trying to check some benchmark work
published for autodock3 (J. Computational Chem. 1998) using autodock4, in
particular 2cpp and camphor test system. It doesn't give docking results as
described in the paper yet. I'm not sure if I've missed something. Still
trying.

Any help is highly appreciated.

Best,
Lu


On 8/7/07, Filippo Marchioni <Filippo.Marchioni at cchmc.org> wrote:
>
> Hi all,
>
> I am double checking the newly installed AD4 by running the tutorial
> example on both the version AD3 and AD4 and then comparing the results.
>
> Unfortuantly even in the rigid receptor flexible ligand docking (keeping
> the same energy evaluations, torsions, etc...) there are big
> differences.
> Does anyone had the same problem?
>
> Thank for your help
> Filippo
>
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