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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