descriptionPublicationkeyboard_double_arrow_right Article 20 Dec 1982 English Publisher:Informa UK LimitedJournal:Molecular Physics, volume 47, pages 1,253-1,264 (issn: 0026-8976, eissn: 1362-3028,

Authors: G. Ciccotti; FERRARIO, Mauro; J. P. Ryckaert;

doi: 10.1080/00268978200100942

handle: 11380/739822 , 2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/41754 , 2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/253595

Molecular dynamics of rigid systems in cartesian coordinates A general formulation

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Abstract

The dynamics of rigid polyatomic systems, either molecules or rigid portions of large molecules, is described by cartesian equations of motion for its atoms. In comparison with the original version of the method of constraints

Related Organizations

Université Libre de Bruxelles
Belgium
University of Modena and Reggio Emilia
Italy

Keywords

Physique de l'état condense [struct. propr. thermiques, Physique, Biologie moléculaire, etc.], Chimie théorique, Biophysique, Physique de l'état condense [struct. électronique, Physico-chimie générale, rigid molecules; molecular dynamics; constraint algorithm, Physique de l'état condense [supraconducteur]

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