[Dock-fans] grid too small error
sbrozell at scripps.edu
Thu Nov 1 22:21:14 PDT 2007
On Wed, 31 Oct 2007, Samantha Kaye wrote:
> I keep getting a problem whilst trying to dock some molecules of
> interest. The error suggests that the grid is too small to contain the
> molecule, see below:
> Elapsed time: 0 seconds
> ERROR: Could not complete growth.
> Confirm grid box is large enough to contain
> ligand and try increasing max_orients.
> 1 Molecules Processed
> Total elapsed time: 0 seconds
> I have tried increasing max-orients and I have tried expanding the box
> (in showbox) 25A (which presumably makes the grid larger). I also tried
> using a tiny molecule as a test to see if it would dock. Nothing seems
> to work.
> This isn't the first time I've use Dock but I am fairly new to it so any
> advice you can offer would be much appreciated.
It seems that you have tried the usual suspects:
Have you visualized the various pieces: receptor, spheres, grid box ?
Did you use the tutorials as input templates ?
Are you bump filtering and
what version of DOCK are you using ?
More details may help track down the problem.
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