Dear Lola,
please select "Gasteiger" as a partial charge calculation method in the Protein clean window for this protein. Quantum mechanical charge calculation (Mozyme) is much more sensible and fails more often.
Kind Regards,
Zsolt
Loadeanda wrote:
Hi,
I would like to know why I receive next message
Current processing component(s):
Refresh status
Create Protein maps – error The error message:
tools/autogrid5: ERROR: The number of atom types found in the receptor PDBQT (7) does not match the number specified by the "receptor_types" command (6) in the GPF!
tools/autogrid5: ERROR: Sorry, AutoGrid cannot continue.
What am I doing wrong setting simulation box?
Thanks a lot.
Lola
