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The GROMOS software for biomolecular simulation: GROMOS05

✍ Scribed by Markus Christen; 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

Book ID
102876769
Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
832 KB
Volume
26
Category
Article
ISSN
0192-8651

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✦ Synopsis

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. J Comput Chem 26: 1719–1751, 2005

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