BioExcel webinar: What’s new in GROMACS 2025
Learn about new features and performance improvements in the recent GROMACS release including a (limited) interface to the Plumed package, support for more force fields forms and neural network potentials, an initial version of a HIP backend targeting AMD GPUs and more OpenMP parallelisation.
Time: Tue 2025-02-18 15.00 - 16.00
Location: online
Language: English
Participating: Berk Hess, KTH
Presenter
- Berk Hess, KTH Royal Institute of Technology
Webinar details and registration link
For more details about this webinar, including the link for registering, see:
bioexcel.eu/webinar-whats-new-in-gromacs-2025-2025-2-18 .
About BioExcel
BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. The centre was established in 2015 and is led by KTH/PDC. The BioExcel webinar series covers a broad range of topics related to the latest developments for supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.