GROMACS: Fast, Free and Flexible MD

Source Code

Monday, 12 September 2005

The most recent release of the source code can be found at the top of this table. If you need an earlier version not listed here, contact the GROMACS crew.

If you prefer to live on the cutting edge, and don't mind testing for correctness yourself, we also provide instructions on how to access our CVS repository.

If you have an older (pre-4.0-release) Gromacs version installed from source in the same location you should remove it before reinstalling. To adhere to modern Linux standards we have changed some subdirectories, and if you just install over the older files you risk ending up with duplicate files and data (RPMs take care of this automatically, though).

To determine whether you need to upgrade you should check our list of revision changes.

If you have problems accessing the ftp site (e.g. from behind a proxy), you can try the web interface to our ftp server.

WARNING: do not use the gcc 4.1.x set of compilers. They are broken. These compilers come with recent Linux distrubutions like Fedora 5/6 etc.

Source	Release date	MD5-sum
gromacs-4.0.2.tar.gz	2008-11-09	7a9eedf9ef365d32cd01355b8950ddc5
gromacs-4.0.tar.gz	2008-10-10	bfc18a2ecc998f542438316b9148b7ff
gromacs-3.3.3.tar.gz	2008-02-29	33f5f434d69b45bc51c5af36f5719618
gromacs-3.3.2.tar.gz	2007-09-28	f25853fefdbfbe7f4e8667a16c495736
gromacs-3.3.1.tar.gz	2006-04-06	1af34a99950813ca7cf893253c447cd1
gromacs-3.3.tar.gz	2005-10-10	99ea6f25a89f1511f51c350a66a2fdc4
gromacs-3.2.1.tar.gz	2004-03-01	d298386495f6ee39b3155ce951984485
gromacs-3.2.tar.gz	2004-01-26	b7b1ec42f0207794bb3a24fef541f3f5
gromacs-3.1.4.tar.gz	2002-06-13	835247417207a9852583a78f835a7da2
gromacs-3.1.3.tar.gz	2002-04-13	6e6a167075d1138e0cf98601a8f0608b
gromacs-3.1.2.tar.gz	2002-04-02	1492d8d05f7dda213d7fedfe3d0a88bd
gromacs-3.1.1.tar.gz	2002-03-07	0b8d06381548f5b8ad94000987633ad6
gromacs-3.1.tar.gz	2002-03-01	21405de108634abcb0f596031e6b44d3
gromacs-3.0.5.tar.gz	2001-10-26	200c3efd3cc3b9923284886f21121727
gromacs-3.0.4.tar.gz	2001-10-24	4a74e5723b4237d50cfdb8b098935a0b
gromacs-3.0.3.tar.gz	2001-08-30	8c5543b9f3d45a9889aaf6c2fdc1d496
gromacs-3.0.2.tar.gz	2001-08-27	dfc8bee40977fd880436610da30b0f71
gromacs-3.0.1.tar.gz	2001-08-18	a5b9262dbfcdcbfc110bbcfd29a19926
gromacs-3.0.tar.gz	2001-08-11	6c2a19205c46f9857748be2c006e8a34

You can use the MD5 sum in the table to check the integrity of the file when you have downloaded it - run the 'md5sum' program on your file and compare with the value in the table. Note that Netscape sometimes uncompresses the file on the fly when you download it, though.

There are detailed installation instructions in the menu to the left.

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