[gmx-users] GROMACS 5.1 official release

Mark Abraham mark.j.abraham at gmail.com
Fri Aug 14 15:19:43 CEST 2015

Hi GROMACS users,

The official release of GROMACS 5.1 is available!

What new things can you expect? (See the release notes for details)

* OpenCL support, thanks to the good folks at StreamComputing

* ever more advanced CUDA support, thanks to help from Nvidia

* improved multi-level heterogenous load balancing and default choices

* intermolecular bonded interactions (useful for ligand-binding

* no more symlinks from grompp to gmx grompp, etc. (as forecast in GROMACS

* new unified documentation, including new User Guide (see below)

* several improved analysis tools

* some minor improvements to simulation performance

* enhancements to the pull code

Please see the link to the release notes below for more details. All the
content of GROMACS 5.0.6 (and minor subsequent bug fixes) is present, apart
from features that have been removed.

You can find the code, documentation, release notes, and test suite at the
links below.


http://manual.gromacs.org/documentation/5.1/index.html (including
installation guide, user guide, reference manual)


Happy simulating!

Mark Abraham

GROMACS development manager

More information about the gromacs.org_gmx-users mailing list