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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.


Paul Bauer

I finished my PhD in 2017 at Uppsala University, working on computational enzymology to understand enantioselective enzyme catalysis with Lynn Kamerlin. There I started to work on the in-house simulation engine during the final year. After finishing I started my current position as a scientific programmer and researcher in the Lindahl group to work on GROMACS, taking over the position as the development manager from Mark Abraham in October 2019. Since then, I have been focused on the smooth running of the project, as well as implementing new features to enhance usability.

Register for webinar

Title: What’s new in GROMACS 2022

Date: March 08, 2022
Time: 15:00 CET

Slides URL:

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