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This manual is not complete and has no pretention to be so due to lack of time of the contributors. – our first priority is to improve the software. It is meant as a source of information and references for the GROMACS user. It covers both the physical background of MD simulations in general and details of the GROMACS
development team, GROMACS User Manual version 2016, www.gromacs.org. (2016). However, we prefer that you cite (some of) the GROMACS papers [1, 2, 3, 4, 5, 6, 7, 8] when you publish your results. Any future development depends on academic research grants, since the package is distributed as free software!
User guide¶. This guide provides. material introducing GROMACS; practical advice for making effective use of GROMACS. For getting, building and installing GROMACS, see the Installation guide. For background on algorithms and implementations, see the reference manual. Getting started · Setting up your environment
Navigation. index · next |; GROMACS 5.1 ». Welcome to the GROMACS documentation!¶. Contents: Downloads · Source code · Regression tests · Installation guide · Introduction to building GROMACS · Prerequisites · Doing a build of GROMACS · Special instructions for some platforms · Tested platforms · User guide.
2 Apr 2013 D. van der Spoel, E. Lindahl, B. Hess, A. R. van Buuren, E. Apol, P. J. Meulenhoff,. D. P. Tieleman, A. L. T. M. Sijbers, K. A. Feenstra, R. van Drunen and H. J. C.. Berendsen, Gromacs User Manual version 4.5.6, www.gromacs.org (2010). However, we prefer that you cite (some of) the GROMACS papers [1,
GROMACS Online Reference. Main Table of Contents, VERSION 5.0.7. General. Getting Started · Flow Chart · File Formats · mdp options · FAQ. Programs. Options · All Programs Alphabetically · Programs by Topic · www.gromacs.org.
11 Oct 2009 Include File Mechanism · Installation Instructions 4.5 · BlueGene · Cmake · Compiling QMMM · Cygwin · GROMACS-OpenMM · Intel(R) Cluster Ready Reference · Quick and Dirty Installation · Windows · Installation Instructions 4.6 · Installation Instructions 5.0 · Manual · Performance checklist · Terminology.
2 Apr 2013 Citation information. When citing this document in any scientific publication please refer to it as: D. van der Spoel, E. Lindahl, B. Hess, and the GROMACS development team,. GROMACS User Manual version 4.6.5, www.gromacs.org (2013). However, we prefer that you cite (some of) the GROMACS papers
Current development branch¶. This page is linked for the convenience of current GROMACS developers. Normal users should refer to the documentation for their numbered version. Latest master branch documentation
Citation information. When citing this document in any scientific publication please refer to it as: M.J. Abraham, D. van der Spoel, E. Lindahl, B. Hess, and the GROMACS development team, GROMACS User Manual version 5.0.4, www.gromacs.org. (2014). However, we prefer that you cite (some of) the GROMACS papers [1
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