[Dock-fans] (no subject)

[michael massiah]

Hi

	We are trying to use Dock6 to perform flexible docking but have been  
running into problem.  We get the following error.

Molecule: 19mer-1.pdb

  Elapsed time:  11 seconds

  ERROR:  Could not complete growth.
          Confirm grid box is large enough to contain
          ligand and try increasing max_orients.

We think the problem is with the sph file.  we have an old sph file  
that works but any newly generated sph file does not.  the difference  
in spheres between the old sph and new sph files are very very subtle  
in terms of their xyz coordinates and they cover the same area, when  
we superimposed the spheres.  but no matter what we do, we can get  
newer sph files to work.  Any suggestion.

Mike