error with dock4.0.1
Dear all,
I have been using Dock 4.0.1 and am having problems with a few
compounds. Dock is breaking apart the starting structure and only docking a
portion of the ligand.
The error reported in the dock.out file was:
WARNING shrink_list: No members provided
This error occured when I ran Dock 4.0.1 on either a unix or linux platform.
The starting structure was retinoic acid. The same error occured for
isoretinoin. These were not the only cases. The starting structures were
fine. I also rebuilt these structures to make sure with the same error
occuring. I cannot find any information about this error in the Dock
manual.
Can anyone tell me what this error means and how I can avoid it.
Thanks
Jerome Wielens