[Dock-fans] Could Not Complete Growth Error

Austin Baker asb93 at pitt.edu
Tue Nov 27 10:23:53 PST 2012


All,

	I am new to Dock and am having trouble running through the tutorials with my protein of interest. Thanks for the patience and help in advance.

	Every time that I try and dock a ligand I keep getting the same error message of:
 ERROR:  Could not complete growth.
         Confirm that the grid box is large enough to contain the ligand,
         and try increasing max_orientations.

I have tried searching through the archives and so far none of the options that are listed have helped. I have tried to increase the size of the box manually to a 30x30x30 box, increase the max conformers, played with the bump filter, the internal energy and use of the flexible ligand. In addition I have tried to dock something small like benzoic acid and cyclohexene but keep getting the same error messages.

Very much appreciated

Austin Baker
asb93 at pitt.edu
Graduate Student
Department of Chemistry
University of Pittsburgh

Everything is Experimental




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