[AMBER] h-bond donor acceptor definition confusion

From: Jio M <jiomm.yahoo.com>
Date: Mon, 7 Mar 2011 06:06:51 -0800 (PST)

Dear AMBER users,

I want to do some H-bond analysis using ptraj.

say X-H....Y is to be analyzed then for ptraj I need to define
donor being Y and acceptor as X H (please correct me if I am wrong)

but in common text books or more authenticated reference X-H is Hydrogen bond donor and Y being  acceptor  ( here is link to definition according to IUPAC http://media.iupac.org/reports/provisional/abstract11/arunan_310311.html, download pdf)

please clarify this or let me know if I am missing/misunderstood some point here.


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Received on Mon Mar 07 2011 - 06:30:04 PST
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