From 9 – 13 Jan 2017, myself a group of collaborators came together at London’s Barbican to participate in their ‘Open Lab’ programme.
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Monthly Archives: January 2017
Adaptive BXD in multi-dimensional CV space
We’ve recently published a paper describing some nice extensions to the “boxed molecular dynamics” (BXD) rare event method (open-access draft available here). BXD is a method that I’ve been working on for the last few years for accelerating rare events in chemical simulations (there’s a 1-d implementation available in the CHARMM package).
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