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.
regards;
Jiomm
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Received on Mon Mar 07 2011 - 06:30:04 PST
