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

[Mark Abraham]

Hi,

Asking for "the number of hydrogen bonds" is ill formed. Between what and
what?

Mark

On Wed, 25 Jan 2017 09:48 Adarsh V. K. <adarsh_p130085bt at nitc.ac.in> wrote:

> 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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