[gmx-users] Hydrogen bond analysis

mary ko maryko2019 at yahoo.com
Tue Jul 16 15:44:37 CEST 2019


Hi allI want to carry on a hydrogen bond analysis between a protein and ligand. I tested hbond but it only gives the number of hydrogen bonds which I am not looking for. I want to know exactly which residues are involved in hydrogen bonding and more specifically which atoms of the residues and ligand have interaction during the whole simulation time.Any help would be appreciated!Thank you.


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