On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics

On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics

© 2016 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 21 vom: 05. Aug., Seite 2017-28
Auteur principal: Nagai, Tetsuro (Auteur)
Autres auteurs: Pantelopulos, George A, Takahashi, Takuya, Straub, John E
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, Non-U.S. Gov't Nosé-Hoover thermostat generalized-ensemble algorithm mass scaling molecular dynamics simulated tempering
Accès en ligne Volltext