[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),
protein
protein-H
side chain
side chain-H
Regards,
Adarsh V. K.
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