[gmx-users] g_hbond

[jwillcox at andrew.cmu.edu]

Hello,

I'm trying to use g_hbond to calculate H-bonds between two different
species, but it seems to be counting the donor atom as an acceptor as
well.

e.g. instead of measuring the H-bonds of water to acetate oxygens, it
seems to be measuring the H-bonds of water to acetate oxygens and water
oxygens

Is there a way to specify that I only want to look at the water-acetate
H-bonds and not water-water H-bonds?

Thank you!

Jon