Webinar: What’s new in GROMACS 2020 (2020-02-20)

BioExcel’s webinar series continue with a presentation by Paul Bauer

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Abstract

This webinar gives a short overview about the new features that have been included in the recently released 2020 version of GROMACS.
I’ll talk about the newly implemented density fitting code, how to control GROMACS through the Python API and about the latest performance enhancements when running GPU accelerated simulations.
The talk will also mention recent changes in functionality in the code through removal of the legacy group scheme, and planned developments for this year.

Presenters

Paul Bauer

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 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.

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Title: What’s new in GROMACS 2020

Date: 20th February, 2020
Time: 14:00 GMT / 15:00 CET

Registration URL: https://attendee.gotowebinar.com/register/8417697599714612235

Webinar ID: 345-044-379

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