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

doi:10.1002/jcc.20303

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 Journal › Article › Academic › peer-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 language	English
Pages (from-to)	1719-51
Journal	Journal of Computational Chemistry
Volume	26
Issue number	16
DOIs	https://doi.org/10.1002/jcc.20303
Publication status	Published - 2005

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10.1002/jcc.20303

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title = "The GROMOS software for biomolecular simulation: GROMOS05",

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. {\textcopyright} 2005 Wiley Periodicals, Inc.",

author = "M. Christen and P.H. Hunenberger and D. Bakowies and R. Baron and R. Burgi and D.P. Geerke and T.N. Heinz and M. Kastenholz and V. Krautler and C. Oostenbrink and C. Peter and D. Trzesniak and \{van Gunsteren\}, W.F.",

year = "2005",

doi = "10.1002/jcc.20303",

language = "English",

volume = "26",

pages = "1719--51",

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T1 - The GROMOS software for biomolecular simulation: GROMOS05

AU - Christen, M.

AU - Hunenberger, P.H.

AU - Bakowies, D.

AU - Baron, R.

AU - Burgi, R.

AU - Geerke, D.P.

AU - Heinz, T.N.

AU - Kastenholz, M.

AU - Krautler, V.

AU - Oostenbrink, C.

AU - Peter, C.

AU - Trzesniak, D.

AU - van Gunsteren, W.F.

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

U2 - 10.1002/jcc.20303

DO - 10.1002/jcc.20303

M3 - Article

SN - 0192-8651

VL - 26

SP - 1719

EP - 1751

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

IS - 16

ER -

The GROMOS software for biomolecular simulation: GROMOS05

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