[gmx-users] Finding H-Bond donor-acceptor pairs

[Anirban Ghosh]

Hi ALL,

I was just wondering if GROMACS has any tool to list out the hydrogen bond
donor-acceptor pairs (in terms of residue names/numbers) throughout a MD
simulation, say 10 ns. Can g_hbond be used to do this or is there any other
command/method?
Any suggestion is welcome.

Regards,

Anirban
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