GROMACS 5.1.5 is out
The official release of GROMACS 5.1.5 is available! This release fixes a few code issues found since 5.1.4, in particular that PME tuning with the group scheme had been working incorrectly (and is now disabled). We encourage all users of the 5.1 series to update to 5.1.5. Please see the link to the release notes […]
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Webinar: Hybrid Molecular Mechanics/Coarse-Grained approaches to model proteins with unknown 3D structure and low sequence identity: the case of G protein-coupled receptors (2017-12-14)
BioExcel’s webinar series continue with a special discussion on multiple timescales in atomistic simulations and ways to address specific challenges in such models. Register Abstract Multiscale molecular dynamics approaches couple, in the same simulation, descriptions of the system at different resolutions. In particular, the so-called Molecular Mechanics/Coarse-Grained approach has been proven to be an […]
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Hear from our 2017 Hands-on Introduction to HPC travel grant beneficiaries
For each of our BioExcel training events we make a limited number of travel bursaries available. We ask the beneficiaries of the BioExcel travel grant to write a blog post for us, either about their experiences at the course, their research interests (in layman’s terms) or a relevant scientific topic. The following blog posts were […]
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