[gmx-users] Number of H bonds formed between ligand and amino acid residues

[Subhomoi Borkotoky]

Hello,

Please use the "hbond"  utility in gromacs.

gmx hbond [-f [<.xtc/.trr/...>]] [-s [<.tpr/.tpb/...>]] [-n
[<.ndx>]][-num [<.xvg>]


On Tue, Jun 28, 2016 at 11:24 AM, Amali Guruge <amaligg2010 at gmail.com>
wrote:

> Dear Gromacs users,
>
> I carried out 20 ns long MD simulation for my receptor-ligand complex using
> Gromacs software. Now I want to calculate number of hydrogen bonds formed
> in the ligand and receptor corresponding to the residue number. Can anyone
> help me?
>
>
> Thank you.
> --
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-- 
Yours Sincerely,
--------------------------
SUBHOMOI BORKOTOKY,
Centre for Bioinformatics
Pondicherry University
Pondicherry,INDIA.

Alternate Email: subhomoi at mails.bicpu.edu.in