[Dock-fans] some quetion of DOCK Anchor-and-Grow.

李雷 284246396 at qq.com
Wed Mar 27 01:42:09 PDT 2013


Hi everyone,
     I have used DOCK6.5 to do some work about virtual screen. when I execute DOCK of a target protein and a random ligand use Anchor-and-Grow method, there are some information feedback as follows:
 ERROR:  Could not complete growth.
         Confirm that the grid box is large enough to contain the ligand,
         and try increasing max_orientations.


so I try to increase the size of BOX,from 6.0A to 8.0 10.0 12.0 but it still  report errors;I also increase the default max_orientations 500 to 1500 2000 even 10000 but the error was still exist.
could anyone  tell me the reason and how to deal with this question. Thankyou very much !
Regard,


LL_thuder
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