ADL: Grid box spacing in Autodock 4
diogo.stmart at gmail.com
Thu Sep 17 14:51:22 PDT 2020
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:
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
> same forum (!!), so I am just posting it here, sorry.
> I am wondering how the Grid box spacing influences the results of
> 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
> spacing run faster than a grid box of the same size using a larger
> (and therefore larger number of grid points)? What is the purpose of
> for the docking run?
> Any comment would be greatly appreciated.
> Many thanks in advance,
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