[gmx-users] regarding Contact Existence Map

Erik Marklund erik.marklund at chem.ox.ac.uk
Sun Jan 4 23:41:13 CET 2015

Each row corresponds to the existence of a hydrogen bond over time for a specific donor-(hydrogen-)acceptor pair (triad). Which pair (triad) is shown on which row is found in the index file produced with the -hbn flag.


> On 3 Jan 2015, at 02:56, Nizar Masbukhin <nizar.fkub08 at gmail.com> wrote:
> Hi gromacs users,
> I want to ask some question regarding contact existence map generated by
> g_hbond program:
> 1. What is contact existence map? does it show hydrogen bond formation?
> 2. What does the contact index  mean (y axis)?
> -- 
> Thanks
> My Best Regards, Nizar
> -- 
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