ADL: increasing the grid points number

miriam sgobba miriam.sgobba at gmail.com
Wed Mar 12 10:56:48 PDT 2008


Hi all,
I would like to built a grid with a number of points higher than 126 x 126 x
126 and a spacing of 0.375 using AutoDock4. To this end, I read that I must
modify the number in the MAX_GRIDS_PTS line of the autocomm.h file (in the
src/autodock/ directory) and then I re-compile autogrid. Is this a right
operation?
What does this operation implies?
Can this operation cause problems of swapping or memory?
Does anyone use a grid with these parameters?

Appreciate any help.

Thank you very much in advance.
Miriam


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