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

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. © 2005 Wiley Periodicals, Inc.
Original languageEnglish
Pages (from-to)1719-51
JournalJournal of Computational Chemistry
Volume26
Issue number16
DOIs
Publication statusPublished - 2005

Fingerprint

Dive into the research topics of 'The GROMOS software for biomolecular simulation: GROMOS05'. Together they form a unique fingerprint.

Cite this