VMD-L Mailing List

From: Neena Susan Eappen (neena.susaneappen_at_mail.utoronto.ca)
Date: Wed May 01 2019 - 17:11:11 CDT

Hello VMD users,

I am using H-bond plugin to extract out H-bonds in a simulation trajectory. Hbond-details.dat file gives me a long list of donors, acceptors and % of that H-bond occurrence in trajectory. Instead of going through that list, is there a simple way to see which Hydrogens did not form any H-bonds at all? Because, the current list is very long.

Thank you for your time and knowledge,
Neena