GROMACS webinar and hackathon

Dear reader,

Next week we continue our webinar series with a talk on optimal setups for most effective usage of various hardware with GROMACS. The webinar includes an audience Q&A session during which attendees can ask questions and make suggestions.

http://bioexcel.eu/webinar-6-best-bang-for-your-buck-optimizing-cluster-and-simulation-setup-for-gromacs-7-september-2016/

We also have a dedicated category in the support forums for discussions on this topic. You are very welcome to come and ask: http://ask.bioexcel.eu/c/performance-tuning-and-optimisation-ig-general

If you are also developing code related to GROMACS, join us in Barcelona next month for the hackaton!

Rossen Apostolov
BioExcel Project Manager

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Webinar #6: Best bang for your buck: Optimizing cluster and simulation setup for GROMACS (7 September 2016)

Webinar #6: Best bang for your buck: Optimizing cluster and simulation setup for GROMACS (7 September 2016)

Join us on Wednesday 7th September for the 6th webinar in BioExcel’s webinar series on computational methods and applications for biomolecular research. The series cover broad topics related to the latest development of major software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for novel users and much more. The …

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GROMACS hackathon 2016

Get together with core GROMACS developers from around the world to hack together on code! Bring your own laptop and coding problem - new integrator, fancy free-energy method, cool analysis tool, automated parameterizer, workflow implementation, meta-dynamics driver, tricky bug to fix, API design question, etc. Be ready to ask and answer questions with the gurus, and come away with new …

Read more.

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