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| Формат: | Recurso digital |
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Zenodo
2025
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| Предмети: | |
| Онлайн доступ: | https://doi.org/10.5281/zenodo.14891781 |
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| _version_ | 1866901938694520832 |
|---|---|
| author | Hess, Berk |
| author_facet | Hess, Berk |
| contents | <p>This webinar gives an overview of the new features and performance improvements that have been included in the recently released 2025 version of <a href="https://bioexcel.eu/software/gromacs/">GROMACS</a>. The main new features are: inclusion of a (limited) interface to the Plumed package and support for more force fields forms and neural network potentials. Performance improvements include automatically turning on more GPU features, an initial version of a HIP backend targeting AMD GPUs and more OpenMP parallelization.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_14891781 |
| institution | Zenodo |
| language | |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | BioExcel Webinar #81: What's new in GROMACS 2025 Hess, Berk webinar <p>This webinar gives an overview of the new features and performance improvements that have been included in the recently released 2025 version of <a href="https://bioexcel.eu/software/gromacs/">GROMACS</a>. The main new features are: inclusion of a (limited) interface to the Plumed package and support for more force fields forms and neural network potentials. Performance improvements include automatically turning on more GPU features, an initial version of a HIP backend targeting AMD GPUs and more OpenMP parallelization.</p> |
| title | BioExcel Webinar #81: What's new in GROMACS 2025 |
| topic | webinar |
| url | https://doi.org/10.5281/zenodo.14891781 |