Knowledge Base

Article ID: 645 - Last Modified: May 16, 2011

I am trying to set up a Glide grid with an H-bond constraint. When I click on the side chain N of Lys, Maestro says "WARNING This type of atom cannot be used as a Glide constraint". How do I add it as a constraint?

The LYS nitrogen cannot be the acceptor atom for an H-bond constraint (which is what clicking the heavy atom is requesting) unless it is the neutral -NH2 form. If you want the nitrogen to be the donor of its attached hydrogens, click one of the hydrogen atoms instead of the nitrogen atom.

Keywords: warning, Glide constraint, LYS nitrogen, H-bond constraint

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