BioExcel Centre of Excellence for Computational Biomolecular Research
Published March 8, 2022 | Version v1
Presentation Open

BioExcel Webinar #61: What's new in GROMACS 2022

Authors/Creators

  • 1. KTH - Royal Institute of Technology

Description

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.

Files

GROMACS 2022 release webinar.pdf

Files (1.6 MB)

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Additional details

Funding

European Commission
BioExcel-2 - BioExcel Centre of Excellence for ComputationalBiomolecular Research 823830