Knowledge Base

Article ID: 608 - Last Modified: May 16, 2011

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

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles