Maximum number of atoms in a single subunit

HADDOCK
1

Is there a maximum number of atoms for a single molecule in a multi-body interface docking run? I have a subunit with 8500 atoms that seems to have been rejected. Total atom number in the run is much less than the 50000 atom overall limit.

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to http://www.bonvinlab.org/software/haddock2.2

2

Hi Joel

We had decreased the limit to max 30000 atoms temporary to limit the load on our server (we had some hardware/cooling issues). The limit has now been set back to 50000.