[gmx-developers] g_hbond h-bond-analysis

[Emanuel Peter]

Quoting Anton Feenstra <feenstra at few.vu.nl>:

> Emanuel Peter wrote:
> > Dear developers,
> >
> > Could you tell me some more about the g_hbond tool with its -hbn
> > index-file-option?
> >
> > Does this function dump-hbmap write down all h-bonds of the
> selected
> > group that have existed over the whole trajectory or does it take
> just
> > the last written trn-frame?
>
> The hbmap will hold a matrix of <number of hbonds> x <number of
> frames>,
> and stores the existance of each hbond (from your -hbn index file)
> for
> each frame in your trajectory.
>
> Dear developers,

Does the tool g_hbond with its option -hbn then show a list of all
stored hbonds per frame or does it just show a list of hbonds that
existed in the last frame?

Emanuel
> --
> Groetjes,
>
> Anton
>   _____________
> _______________________________________________________
> |             |
> |
> |  _   _  ___,| K. Anton Feenstra
> |
> | / \ / \'| | | IBIVU/Bioinformatics - Free University  Amsterdam
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> |
> | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P136
> |
> |             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/
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> |
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