[gmx-users] g_hbond

simon sham ssham44 at yahoo.com
Thu Jun 16 17:39:03 CEST 2011


Hi,
I am little confused about setting up the two groups in g_hbond.
1. Are the two groups corresponding to the donor (N) and the acceptor (O) atoms?

I want to measure the lifetime, angle and distance of the triplet N-H....O hydrogen bond. Is this the triplet that the manual talks about?

Thanks for your insight.

Simon
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