Published March 3, 2026
| Version v1
Presentation
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BioExcel Webinar #92 What's new in GROMACS 2026.0 (2026-03-03)
Authors/Creators
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1.
KTH Royal Institute of Technology
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2.
Max Planck Computing and Data Facility
Description
This webinar gives an overview of the new features and performance improvements that are included in the recently released 2026.0 version of GROMACS. Performance improvements include a complete HIP backend for AMD GPUs and non-bonded free-energy kernels for CUDA GPUs. Particular attention is devoted to new features for neural-network potentials and the inclusion and validation of the newest AMBER force fields.
Files
GROMACS 2026 webinar.pdf
Files
(2.8 MB)
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