Journal article
The GROMOS software for biomolecular simulation: GROMOS05.
- Christen M Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH-Hönggerberg, CH-8093 Zürich, Switzerland.
- Hünenberger PH
- Bakowies D
- Baron R
- Bürgi R
- Geerke DP
- Heinz TN
- Kastenholz MA
- Kräutler V
- Oostenbrink C
- Peter C
- Trzesniak D
- van Gunsteren WF
- 2005-10-08
Published in:
- Journal of computational chemistry. - 2005
Algorithms
Computer Simulation
Models, Biological
Models, Chemical
Models, Molecular
Software
Software Design
English
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.
- Language
-
- English
- Open access status
- closed
- Identifiers
-
- DOI 10.1002/jcc.20303
- PMID 16211540
- Persistent URL
- https://sonar.rero.ch/global/documents/164038
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