trajin 2a6_md_2-6_nowat.binpos #-- Backbone donors and acceptors for this particular molecule # N-H for prolines do not exist so are not in the mask # donor mask @O acceptor mask :2-4,7,9,11,13-37,39-45@N :2-45@H #Terminal residues have different atom names donor mask @OXT acceptor mask :1@N :1@H1 acceptor mask :1@N :1@H2 acceptor mask :1@N :1@H3 #-- series hbt is just a placeholder to ensure we get the full analysis. If you don't #have the word series you don't get a full analysis. hbond print .05 series hbt