The GROMOS software for biomolecular simulation : GROMOS05

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Christen_2-vd9tcauhfr317.pdf
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2005
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Christen, Markus
Hünenberger, Philippe H.
Bakowies, Dirk
Baron, Riccardo
Bürgi, Roland
Geerke, Daan P.
Heinz, Tim N.
Kastenholz, Mika A.
Kräutler, Vincent
Oostenbrink, Chris
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Zusammenfassung

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.

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540 Chemie
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ISO 690CHRISTEN, Markus, 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, 2005. The GROMOS software for biomolecular simulation : GROMOS05. In: Journal of Computational Chemistry. 2005, 26(16), pp. 1719-1751. ISSN 0192-8651. eISSN 1096-987X. Available under: doi: 10.1002/jcc.20303
BibTex
@article{Christen2005-12GROMO-40249,
  year={2005},
  doi={10.1002/jcc.20303},
  title={The GROMOS software for biomolecular simulation : GROMOS05},
  number={16},
  volume={26},
  issn={0192-8651},
  journal={Journal of Computational Chemistry},
  pages={1719--1751},
  author={Christen, Markus and Hünenberger, Philippe H. and Bakowies, Dirk and Baron, Riccardo and Bürgi, Roland and Geerke, Daan P. and Heinz, Tim N. and Kastenholz, Mika A. and Kräutler, Vincent and Oostenbrink, Chris and Peter, Christine and Trzesniak, Daniel and van Gunsteren, Wilfred F.}
}
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