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Online Advanced GROMACS Workshop

7-9 February 2022

Time: Mon 2022-02-07 09.00 - Wed 2022-02-09 14.00

Location: Online

Language: English

If you would like to learn how to use GROMACS efficiently in your reseach projects, please join us for this advanced-level GROMACS workshop. The course runs over three mornings and includes lectures and hands-on exercises on the Puhti system at the CSC - IT Center for Science (CSC) in Finland. The workshop presents several topics that will improve efficiency when using GROMACS: enhanced sampling techniques, QM/MM with CP2k, performance optimization for CPUs and GPUs, automation via BioBB-workflows and the GROMACS Python-API.

Please note that this is definitely an advanced-level workshop and we will dive into the topics and get down to business straight away. If you do not have previous experience in molecular dynamics, then it is recommended that you instead wait and take an introductory course later on as this workshop is unlikely to be useful for you.

This is a EuroHPC Competence Centre workshop organized by BioExcel, CSC and the EuroHPC Competence Centre Sweden (ENCCS).


For more information, including the agenda, prerequisites and details on how to register, see .


  • The deadline for registration is 2nd February 2022.
  • There are a limited number of places so register now if you want to secure a place on the course.
  • The times in the schedule are in EET, not CET. The times in this event listing are in CET.