In the output from my Glide docking job, I see these warnings:

%IMPACT-W (warning): At line 58
%IMPACT-W: Extraneous input discarded: MOL 4
%IMPACT-W (warning): At line 59
%IMPACT-W: Extraneous input discarded: MOL 3
%IMPACT-W (warning): At line 60
%IMPACT-W: Extraneous input discarded: MOL 2

What do these warnings mean?

These warnings appear if you are calculating per-residue interactions and there are residues in the receptor with a residue number of 0. Per-residue interactions will not be calculated with these residues, but otherwise the docking run should be normal. You can change the residue numbers in Maestro, in the Residue Properties tab of the Build panel.

This issue is fixed in Suite 2010: residues with a residue number of zero are accepted.

Keywords: Glide, residue interactions, warning

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