[gmx-developers] g_hbond

Francesco Oteri francesco.oteri at gmail.com
Fri Oct 1 15:17:41 CEST 2010

Dear gromacs developers,
I will ask if is possible adding an option in g_hbond that to print, for 
each frame, the revealed hydrogen bond.
I think to something like:

time donors acceptors hbond_distance hbond_angle

Each time I change gromacs version, I heve to add this option to the 
code. Since is tedious but not difficult, I ask to developers to do this.
Having such a list makes easy monitoring each single h-bond with simple 
awk script without manipulating the .xpm file.

If you want, I can send you the code I wrote to print the list, using 
the 4.0.7 version


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