[gmx-users] cut-off g_hbond

Gavin Melaugh gmelaugh01 at qub.ac.uk
Fri Oct 5 13:20:05 CEST 2012

Hi all

I am using g_hbond to calculate the number of hydrogen bonds in an
alcohol system. I am using
the following command:

g_hbond -f traj.trr -nonitacc

I am slightly confused about the cut off r. Using the above command, is
the default cut-off r (0.35nm) for the donor-acceptor distance or the
hydrogen-acceptor ?



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