AMBER Archive (2000)

Subject: center of mass with gibbs ?

From: Terreux Raphael (terreux_at_taloa.unice.fr)
Date: Mon May 29 2000 - 17:46:12 CDT


Dear amber users,

 I would try to use internal constraint in gibbs module based on the
center of mass.
On the manual of amber 5 and 6, it is explain how to define the center
of mass, and applied constraint on it with sander.

Does it possible to use it with Gibbs ?

Best regards.

Raphael terreux

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TERREUX Raphael

Laboratoire A.S.I Equipe Chimiometrie Modelisation Universite de Nice-Sophia Antipolis, Parc Valrose, F 06108, Cedex 2, NICE, FRANCE

TEL : +33 (0)4 92 07 61 26 FAX : +33 (0)4 92 07 61 25 e-mail : terreux_at_chiminfo.unice.fr terreux_at_unice.fr web : http://chiminfo11.unice.fr/~terreux/index.htm -------------------------------------------------------