AMBER Archive (2005)

Subject: Re: AMBER: INTRA molecular hbonds

From: Fabian Boes (fabian.boes_at_itb.uni-stuttgart.de)
Date: Mon Jun 27 2005 - 09:45:13 CDT

-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

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_at_itb.uni-stuttgart.de

http://www.itb.uni-stuttgart.de

-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.2.4 (MingW32)

iD8DBQFCwBD1Ll4SF3oeQ9ARAqNXAJ9WVZK/g5UaRt8Q8Z2YWuOFoCs0zgCeL9l4
BvPVf2hAcZ+KT9CdasdyQIE=
=t6x8
-----END PGP SIGNATURE-----
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu