ADL: Grid box spacing in Autodock 4

Diogo Martins diogo.stmart at gmail.com
Thu Sep 17 14:51:22 PDT 2020


Hi Josh,

I don't think it makes a difference in terms of docking runtime. Autogrid
will take longer if more grid points are required. You can find more
information about the spacing here:
http://autodock.scripps.edu/faqs-help/manual/autodock-3-user-s-guide/AutoDock3.0.5_UserGuide.pdf

Best regards,

On Tue, 15 Sep 2020 at 03:53, <josh at rosabio.tech> wrote:

>
>    Hey guys,
>
>
>    Apologies for sending this again, I asked a similar question regarding
>    Autodock Vina last week but I cannot seem to work out how to reply on
> the
>    same forum (!!), so I am just posting it here, sorry.
>
>
>    I am wondering how the Grid box spacing influences the results of
> Autodock
>    4.  I  understand  Vina fixes spacing at 0.375 so changing this has no
>    influence on the result, but what about AD4? Will a grid box with a
> certain
>    spacing run faster than a grid box of the same size using a larger
> spacing
>    (and therefore larger number of grid points)? What is the purpose of
> spacing
>    for the docking run?
>
>
>    Any comment would be greatly appreciated.
>
>
>    Many thanks in advance,
>
>
>    Josh
> ________________________________________________
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>
>


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