ADL: WARNING Non-integral total charge

mmooney05 at qub.ac.uk mmooney05 at qub.ac.uk
Wed Mar 5 06:57:14 PST 2008


Hi all,
      When I launch autodock4 from the command line I get the following 
error:

autodock4: ***WARNING! Non-integral total charge (-0.15e) on ligand!***

What is the significance of this warning and how can I fix the problem? I 
would be most grateful for any suggesetions regarding this issue, as I saw 
it on the mailing list, but no solutions were provided.

Many Thanx,
           Maura


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