title: The GROMOS software for biomolecular simulation: GROMOS05.
abstract: We present the latest version of the Groningen Molecular Simulation program package, GROMOS05. It has been developed for the dynamical modelling of (bio)molecules using the methods of molecular dynamics, stochastic dynamics, and energy minimization. An overview of GROMOS05 is given, highlighting features not present in the last major release, GROMOS96. The organization of the program package is outlined and the included analysis package GROMOS++ is described. Finally, some applications illustrating the various available functionalities are presented.
authors.affiliation: Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH-Hönggerberg, CH-8093 Zürich, Switzerland.
authors.forename: Markus
authors.initials: M
authors.lastname: Christen
authors.forename: Philippe H
authors.initials: PH
authors.lastname: Hünenberger
authors.forename: Dirk
authors.initials: D
authors.lastname: Bakowies
authors.forename: Riccardo
authors.initials: R
authors.lastname: Baron
authors.forename: Roland
authors.initials: R
authors.lastname: Bürgi
authors.forename: Daan P
authors.initials: DP
authors.lastname: Geerke
authors.forename: Tim N
authors.initials: TN
authors.lastname: Heinz
authors.forename: Mika A
authors.initials: MA
authors.lastname: Kastenholz
authors.forename: Vincent
authors.initials: V
authors.lastname: Kräutler
authors.forename: Chris
authors.initials: C
authors.lastname: Oostenbrink
authors.forename: Christine
authors.initials: C
authors.lastname: Peter
authors.forename: Daniel
authors.initials: D
authors.lastname: Trzesniak
authors.forename: Wilfred F
authors.initials: WF
authors.lastname: van Gunsteren
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D012984:Software; D012985:Software Design