VMD-L Mailing List
From: Harindar Keer (hkeer_at_uci.edu)
Date: Thu Dec 18 2008 - 17:59:34 CST
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Dear all,
I am somewhat confused by the known issue listed in the VMD guide
(Known Issue: The output of hbonds cannot be considered 100% accurate if
the donor and acceptor selection share a common set of atoms)
I am evaluating the number of h-bonds in a selection of water molecules
itself. I am using following command
measure hbonds $cutoff $angle $selection
I would like to confirm whether the list of h-bonds obtained is 100%
accurate. I would sincerely appreciate if some one can clarify this
issue for me. Many thanks.
Warm regards,
Harindar Keer
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