GROMACS 2018 official release

The official release of GROMACS 2018 is now available. What new things can you expect? Please see the release notes highlights at http://manual.gromacs.org/documentation/2018/release-notes/index.html. You can find the code, manual, release notes, installation instructions and test suite at the links below. Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.tar.gz Documentation: http://manual.gromacs.org/documentation/2018/index.html (includes install guide, user guide, reference […]

GROMACS 5.1.5 is out

The official release of GROMACS 5.1.5 is available! This release fixes a few code issues found since 5.1.4, in particular that PME tuning with the group scheme had been working incorrectly (and is now disabled). We encourage all users of the 5.1 series to update to 5.1.5. Please see the […]

GROMACS Release 2016.4

Hi GROMACS users, The official release of GROMACS 2016.4 is available! This release fixes several issues found since 2016.3, including disabling the broken support for automatic PME tuning in mdrun for group-scheme simulations, and various other fixes. It also implements production-ready support for CUDA 9 + Volta generation GPUs, along with other portability enhancements. It incorporates all […]

F1000 Poster Award to BioExcel’s CWL Viewer at ISMB 1

BioExcel was well represented at the ISMB/ECCB 2017 conference – perhaps you picked up one of our t-shirts? One surprise was that our Common Workflow Language Viewer poster (doi:10.7490/f1000research.1114375.1) won a F1000 Poster Award! The poster presents the CWL Viewer, a web rendering of portable workflow executions defined in the […]