Published February 18, 2021 | Version v1
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BioExcel Webinar #52 :What's new in GROMACS 2021 (2021-02-18)

  • 1. KTH - Royal Institute of Technology

Description

This webinar gives a short overview about the new features that have been included in the recently released 2021 version of GROMACS. We will talk about the newly implemented multiple time stepping code, new additions to the pressure coupling algorithms and how to use AWH to run your free energy perturbation simulations. The talk will also mention some remaining leftovers from removing the legacy group scheme, and planned developments for this year.

Files

GROMACS 2021 release webinar_Berk.pdf

Files (5.9 MB)

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Additional details

Funding

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