[gmx-users] Protein-Ligand Complex MD simulation : Number of Hydrogen bond ; Options to Choose

Adarsh V. K. adarsh_p130085bt at nitc.ac.in
Wed Jan 25 09:48:19 CET 2017

Dear all,

Protein-ligand complex MD simulation using Gromacs 5.1.4 (Drug discovery)

Can you please tell me command for Number of Hydrogen bond plot?

It is # gmx hbond...

But what option we have to choose, apart from Ligand (13)

Is it (option after the command),



side chain

side chain-H

Adarsh V. K.

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