iv
Preface & Disclaimer
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 worked on continuously, which in some cases
might mean the information is not entirely correct.
Comments are welcome, please send them by e-mail to gromacs@gromacs.org, or to one of the
mailing lists (see www.gromacs.org).
We try to release an updated version of the manual whenever we release a new version of the soft-
ware, so in general it is a good idea to use a manual with the same major and minor release number
as your GROMACS installation. Any revision numbers (like 3.1.1) are however independent, to
make it possible to implement bug fixes and manual improvements if necessary.
On-line Resources
You can find more documentation and other material at our homepage www.gromacs.org. Among
other things there is an on-line reference, several GROMACS mailing lists with archives and
contributed topologies/force fields.
Citation information
When citing this document in any scientific publication please refer to it as:
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 4.5.4, www.gromacs.org (2010)
However, we prefer that you cite (some of) the GROMACS papers [1, 2, 3, 4, 5] when you publish
your results. Any future development depends on academic research grants, since the package is
distributed as free software!
Current development
GROMACS is a joint effort, with contributions from lots of developers around the world. The core
development is currently taking place at
• Department of Cellular and Molecular Biology, Uppsala University, Sweden.
(David van der Spoel).
• Stockholm Bioinformatics Center, Stockholm University, Sweden
(Erik Lindahl).
• Stockholm Bioinformatics Center, Stockholm University, Sweden
(Berk Hess)
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边边的账号2014-08-08话说已经出到5.0了。
u0102232722013-10-21内容很全面
