The GROMOS software for biomolecular simulation: GROMOS05

M. Christen, P.H. Hunenberger, D. Bakowies, R. Baron, R. Burgi, D.P. Geerke, T.N. Heinz, M. Kastenholz, V. Krautler, C. Oostenbrink, C. Peter, D. Trzesniak, W.F. van Gunsteren

Research output: Contribution to JournalArticleAcademicpeer-review


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. © 2005 Wiley Periodicals, Inc.
Original languageEnglish
Pages (from-to)1719-51
JournalJournal of Computational Chemistry
Issue number16
Publication statusPublished - 2005


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