AMBER Archive (2004)

Subject: AMBER: hbond in ptraj

From: Qiang Lu (qiangl_at_uci.edu)
Date: Fri May 07 2004 - 13:43:33 CDT

Hi amber,

  The hbond command in ptraj need donor and acceptor first.
As I know donor should provide hydrogen. And acceptor accepts
hydrogen. But donor command in ptraj only need one heavy atom
to be specified, while acceptor need both heavy atom and hydrogen
to be specified.
  Or may be the HBond donor means providing electron and acceptor
means receiving electron? 

-- 
Best regards,
 Qiang                          mailto:qiangl_at_uci.edu

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