[gmx-users] Hydrogen bond existence map

[Nidhi Katyal]

Hi all

I would like to create hydrogen bond existence map for interaction of each
residue with my ligand. I am aware that -hbm and -hbn option of g_hbond
along with index file would serve the purpose. But the resulting output
file is giving existence map for each atom of the residue. Instead, I want
one map for residue as a whole. Example if any residue of protein is
forming hydrogen bond with my ligand for certain time through bond A but
for the remaining time it forms through bond B, then I want the map to show
presence of hydrogen bond through one single line during the entire course
of simulation. Is it possible with gromacs?

Thanks in advance
Nidhi