AMBER Archive (2005)

Subject: AMBER: INTRA molecular hbonds

From: Giulio Rastelli (rastelli.giulio_at_unimo.it)
Date: Mon Jun 27 2005 - 09:09:23 CDT

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 

-- 

Prof. Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Facolta' di Bioscienze e Biotecnologie
Universita' di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
-------------------------------------
tel 0039-059-2055145
fax 0039-059-2055131
-------------------------------------

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu