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. 2005 Dec;26(16):1719-51.
doi: 10.1002/jcc.20303.

The GROMOS software for biomolecular simulation: GROMOS05

Markus Christen  1 , Philippe H Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P Geerke, Tim N Heinz, Mika A Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F van Gunsteren
Affiliations

The GROMOS software for biomolecular simulation: GROMOS05

Markus Christen et al. J Comput Chem. 2005 Dec.

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.

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