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School on Molecular Dynamics and Enhanced Sampling Methods

posted Jul 17, 2015, 6:35 PM by Vincent Voelz
On July 6-10, the Klein, Voelz and Levy labs successfully hosted a free School on Molecular Dynamics and Enhanced Sampling Methods, facilitated by the Institute of Computational Molecular Science.  Topics included lectures and hands-on workshops on NAMD simulation and visualization, statistical analysis using MDTraj, Markov State Model construction using MSMBuilder, metadynamics sampling and collective variable modules, replica exchange, free energy calculations, introduction to Maestro, DESMOND and IMPACT, and coarse-grained modeling and simulation using LAMMPS   The workshop was well-received, in no small part due to the organization and dedication of Christopher MacDermaid from the ICMS.

The hands-on tutorials from our group (MDTraj and MSMBuilder) would not have be possible without the help of Sudipto Mukherjee and Guangfeng Zhou -- thanks guys!  

We hope to post our tutorial slides and materials from this soon. --Vince