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Dear Giulio,
try the keyword "includeself".
Bye,
Fabian
Giulio Rastelli wrote:
| By default, if I'm correct the hbond analysis made with ptraj (amber8)
| computes the inter-molecular hbonds between atoms specified as donors
| and acceptors. Is there a way to keep track of INTRA-molecular hbonds as
| well? Many thanks in advance.
| Giulio
- --
Fabian Bös
Institute of Technical Biochemistry
University of Stuttgart / Germany
Phone: +49-711-6857481
Fax: +49-711-6853196
Email: fabian.boes.itb.uni-stuttgart.de
http://www.itb.uni-stuttgart.de
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Received on Mon Jun 27 2005 - 15:53:00 PDT
