Welcome to the official version of GROMACS!
-If you are familiar with unix, it should be fairly trivial to compile and
-install GROMACS. Installation instructions are available in the INSTALL.*
-files (there is one for automake users, INSTALL.automake and one for cmake
-users, INSTALL.cmake). A more extended step-by-step guide can be found
-on our website http://www.gromacs.org .
+If you are familiar with Unix, it should be fairly trivial to compile and
+install GROMACS. GROMACS uses only the CMake build sytem, and our
+installation guide can be found at
+http://www.gromacs.org/Documentation/Installation_Instructions.
Of course we will do our utmost to help you with any problems, but PLEASE
READ THE INSTALLATION INSTRUCTIONS BEFORE CONTACTING US!
There are also several other online resources available from the homepage,
-and special information for developers. We recommend all users to subscribe
-at least to the gmx-announce list - there is almost no traffic at all, but
-you get notice of new versions or severe bugs, and it gives us a possibility
-to keep track of the number of users since no signature is required anymore.
+and special information for developers.
If you are a developer, or change the source for any other reason, check
-out http://www.gromacs.org/developer for details on using automake & autoconf!
+out http://www.gromacs.org/Developer_Zone.
* * * * *
-GROMACS is free software, distributed under the GNU General Public License.
-However, scientific software is a little special compared to most other
-programs. Both you, we, and all other GROMACS users depend on the quality
-of the code, and when we find bugs (every piece of software has them) it
-is crucial that we can correct it and say that it was fixed in version X of
-the file or package release. For the same reason, it is important that you
-can reproduce other people's result from a certain GROMACS version.
+GROMACS is free software, distributed under the GNU Lesser General
+Public License, version 2.1 However, scientific software is a little
+special compared to most other programs. Both you, we, and all other
+GROMACS users depend on the quality of the code, and when we find bugs
+(every piece of software has them) it is crucial that we can correct
+it and say that it was fixed in version X of the file or package
+release. For the same reason, it is important that you can reproduce
+other people's result from a certain GROMACS version.
The easiest way to avoid this kind of problems is to get your modifications
included in the main distribution. We'll be happy to consider any decent
MPI, threads, double precision, etc.
If you still want to distribute a modified version or use part of GROMACS
-in your own program, remember that the entire modified must be licensed
-under GPL, and that it must clearly be labeled as derived work. It should
-not use the name "official GROMACS", and make sure support questions are
-directed to you instead of the GROMACS developers.
+in your own program, remember that the entire project must be licensed
+according to the requirements of the LGPL v2.1 license under which you
+received this copy of GROMACS. We request that it must clearly be labeled as
+derived work. It should not use the name "official GROMACS", and make
+sure support questions are directed to you instead of the GROMACS developers.
Sorry for the hard wording, but it is meant to protect YOUR reseach results!
* * * * *
* GROMACS: A message-passing parallel molecular dynamics implementation
H.J.C. Berendsen, D. van der Spoel and R. van Drunen
Comp. Phys. Comm. 91, 43-56 (1995)
+ DOI: 10.1016/0010-4655(95)00042-E
* GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable
molecular simulation
B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl
J. Chem. Theory Comput. 4 (2008) pp. 435-447
+ DOI: 10.1021/ct700301q
+
+* GROMACS 4.5: a high-throughput and highly parallel open source
+ molecular simulation toolkit
+ Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar,
+ Rossen Apostolov, Michael R. Shirts, Jeremy C. Smith, Peter M. Kasson,
+ David van der Spoel, Berk Hess, Erik Lindahl.
+ Bioinformatics 29 (2013) pp. 845-54
+ DOI: 10.1093/bioinformatics/btt055
There are a lot of cool features we'd like to include in future versions,
but our resources are limited. All kinds of donations are welcome, both in
form of code, hardware and funding! Industrial users who choose to pay
-for a license pro bono (it is still GPL and can be redistributed freely) or
+for a license pro bono (it is still LGPL and can be redistributed freely) or
contribute in other ways are listed as GROMACS supporters on our webpages.
-Don't hesitate to contact us at gromacs@gromacs.org if you are interested.
+Don't hesitate to contact us if you are interested.
Good luck with your simulations!
The GROMACS Crew
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biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff