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Selected Publication:
Christen, M; 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):
The GROMOS software for biomolecular simulation: GROMOS05.
J Comput Chem. 2005; 26(16):1719-1751
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- 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. (c) 2005 Wiley Periodicals, Inc.
- Authors BOKU Wien:
- Oostenbrink Chris
- Find related publications in this database (using NML MeSH Indexing)
- Algorithms -
- Computer Simulation -
- Models, Biological -
- Models, Chemical -
- Models, Molecular -
- Software -
- Software Design -
- Find related publications in this database (Keywords)
- molecular dynamics simulation
- programming
- GROMOS
- biomolecular simulation
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