The GROMOS software for biomolecular simulation: GROMOS05

Abstract

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

Keywords

Computer scienceMolecular dynamicsSoftware packageSoftwareComputational scienceR packageProgramming languageChemistryComputational chemistry

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Publication Info

Year: 2005
Type: article
Volume: 26
Issue: 16
Pages: 1719-1751
Citations: 642
Access: Closed

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APA Style

                            
                                
                                    Markus Christen, 
                                
                                    Philippe H. Hünenberger, 
                                
                                    Dirk Bakowies
                                
                                et al.
                            
                            (2005). 
                            The GROMOS software for biomolecular simulation: GROMOS05. 
                            Journal of Computational Chemistry
                            , 26
                            (16)
                            , 1719-1751.
                            https://doi.org/10.1002/jcc.20303
                        

Identifiers

DOI: 10.1002/jcc.20303