Instances of ligand SGN do not contain the same atoms

HADDOCK
1

Hi,
I am trying to submit my docking run to haddock server, however I am getting an error message and I do not understand how to correct the error.
Error message

Instances of ligand SGN do not contain the same atoms
Directory of the run:
http://milou.science.uu.nl/serviceresults/HADDOCK2.2/7564218482/1bfb

I do not understand why I should specify the active residues if my second molecule is a peptide (glycan) ? If I do not fill this box the run will not start.

best Urszula

2

Two problems:

  1. You have multiple instances of SGN in your protein (but note that glycosilated residues are not supported) and these should have exactly the same atoms names

  2. You need to define your second molecular at least as passive - can’t leave both active and passive empty