10.5281/zenodo.6337826
https://zenodo.org/records/6337826
oai:zenodo.org:6337826
Paul Bauer
Paul Bauer
KTH - Royal Institute of Technology
BioExcel Webinar #61: What's new in GROMACS 2022
Zenodo
2022
webinar
2022-03-08
Presentation
10.5281/zenodo.6337825
https://zenodo.org/communities/eu
https://zenodo.org/communities/bioexcel
Creative Commons Attribution 4.0 International
This webinar gives a short overview of the new features that have been included in the recently released 2022 version of GROMACS.
The talk will discuss the newly implemented QM/MM interface to CP2K, new abilities to perform pulling simulations, as well as several performance improvements and new hardware support.
European Commission
10.13039/501100000780
823830
BioExcel Centre of Excellence for ComputationalBiomolecular Research