ExTASY Tutorial: Tools for Advanced Sampling of Macromolecular Systems

Please join us on this two-day tutorial course to be held at EPCC in Edinburgh on the 16th and 17th of May 2016.

“This tutorial will provides an introduction to Advanced Sampling methods for macromolecules based on the Locally Scaled Diffusion Map (LSDMap) and Complementary Coordinates (CoCo) methods. Participants will have the opportunity to learn about software tools to implement these methods, in particular the EnsembleMD toolkit, which enables coupled workflows of Molecular Dynamics simulations and analysis tools to be executed on massively parallel HPC systems.”

This course is run as part of the EPSRC/NSF ExTASY project and is open to all researchers worldwide.

As a part of the course, Erik Lindahl from BioExcel will give a tutorial on “Automated dataflow algorithms for advanced ensemble molecular dynamics sampling”.

For more information about the course, or to register to attend, please visit EPCC’s website here.