rahul.banerjee at chemistry.msu.edu
Thu May 28 14:22:03 PDT 2009
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:
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?
With best regards,
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