GROMACS 2023 official release

Announcements
1

Hello, GROMACS users!

The official release of GROMACS 2023 is now available.

What new things can you expect? Please see the release notes highlights at
http://manual.gromacs.org/2023/release-notes/index.html .

You can find the code, manual, release notes, installation instructions and
test suite at the links below.

Code: https://ftp.gromacs.org/gromacs/gromacs-2023.tar.gz
Documentation: http://manual.gromacs.org/2023/index.html
(includes install guide, user guide, reference manual, and release notes)
Test Suite: https://ftp.gromacs.org/regressiontests/regressiontests-2023.tar.gz

Happy simulating!

Sebastian

2 Likes
3

Hello, GROMACS users!

The latest GROMACS release is accompanied by a new release of the gmxapi Python package. Version 0.4.0 is now on pypi.org for installation with pip install gmxapi (after sourcing GMXRC or otherwise making GROMACS available in your environment).

As one highlight, gmxapi 0.4 has MPI support for ensembles of GROMACS simulations where individual simulations can be run not only with thread-MPI but also MPI installations of GROMACS 2022 and 2023.

Happy simulating!