[gmx-developers] g_hbond h-bond-analysis

Erik Marklund erikm at xray.bmc.uu.se
Wed Feb 25 13:42:18 CET 2009

Anton Feenstra skrev:
> Emanuel Peter wrote:
>> 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?
> A list of all hbonds per frame.
No, that's not entirely true. There's no frame-specific information in 
that file. The list contains all hbonds that
ever existed at any point in the analyzed part of the trajectory, not 
per frame. That's why its size matches the y-dimension of the hbm-file.

Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys

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