ADL: question about partial charges

Megan Arrington megan.arrington at gmail.com
Fri Apr 24 07:12:21 PDT 2009


Hello,
I am not getting any docking or grid logfiles produced from docking and the
only error message that I get that may be causing that during file
preparation is when I opened the macromolecule in grid: "Non integral
charges on 1PU0mono_noCuZn97 correct 3 residues: Ala1, 0.055; Arg143, 0.213;
Gln 153, 0.053.  Charges should be corrected in written output file."  That
is the only thing that I can think of that is messing me up, do you know how
to do this? Any suggestions you have would be most appreciated.
Thank you
Megan Arrington


More information about the autodock mailing list