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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 […]


BioExcel Introductory Video

We completed the production of our new introductory video “Presenting BioExcel: A central hub for biomolecular modelling and simulations “! Learn about our center in just a few minutes!   Kudos to Apostolos Vasileiadis from Third Pända Film for the great production! Check out his work Facebook, Twitter, Instagram and Vimeo.


BioExcel First Software Releases

The first project releases of the supported codes are out! You can find all the packages here: http://bioexcel.eu/software/code-repositories. All BioExcel-supported new modules are offered under a suitable free open-source license: Lesser GNU General Public License, versions 2.1 (GROMACS and CPMD QM/MM), version 3 (pmx) and either the Apache 2.0 or […]