sbrozell at rci.rutgers.edu
Sun May 31 20:51:55 PDT 2009
On Thu, May 28, 2009 at 05:22:03PM -0400, Rahul Banerjee wrote:
> I have done two successive Dock runs using same parameters in the input file. For the second run I have used the output ranked file of the first run as input. I was surprised to see some compounds were not docked in the second case. There were error message like:
> Molecule: XXX
> Elapsed time: 1 seconds
> ERROR: Could not complete growth.
> Confirm that the grid box is large enough to contain the ligand,
> and try increasing max_orientations.
> Can someone please tell me, what could be the reason? Is there any way I can overcome this problem?
Interesting. Can you send the input files for further investigation.
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