VMD-L Mailing List

From: #ANG YUN MEI ELISA# (ANGY0059_at_e.ntu.edu.sg)
Date: Tue Jan 24 2017 - 18:24:49 CST

Hi,

I have a question regarding the criteria for the formation of hydrogen bond in the VMD's Hbond plugin. Is there a mistake in the manual?

The manual says "A hydrogen bond is formed between an atom with a hydrogen bonded to it (the donor, D) and another atom (the acceptor, A) provided that the distance D-A is less than the cut-off distance (default 3.0 Angstroms) and the angle D-H-A is less than the cut-off angle (default 20 degrees)."

Angle D-H-A is typically obtuse. Should it be angle H-D-A instead?

Thanks,
Elisa