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Article ID: 608 - Last Modified:

I was running some Glide dockings over some relatively large ligands when the output showed repeatedly a warning saying 'TOO MANY PATOMS IN BOX.'

What does this mean?

These are warnings about too many ligand atoms being located in a 2x2x2 Å box within the grid, which can indicate a distorted structure. This can happen to some intermediate poses during docking, and they are simply filtered out. The warnings can be safely ignored.

Keywords: warning, too many patoms in box, ligands, Glide

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