[Dock-fans] grid too small error

[Samantha Kaye]

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.

Best wishes
Sam

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Dr Samantha Kaye
The School of Pharmacy
University of London
29-39 Brunswick Square
London
WC1N 1AX

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