Nvidia Interactive Molecular Dynamics Demo
This demo was featured at the 2013 International Supercomputing Conference in Leipzig, Germany, June 16th-20th. It highlights perferomance of the new Kayla development platform as well as the performance of the Amber Molecular Dynamics engine running on the GTX Titan.
The demo synchronizes output from the simulation with real time rendering of the protein dynamics using VMD (http://www.ks.uiuc.edu/Research/vmd/).
Amber MD engine must be installed as well as VMD. The GUI utitlizes the pyQT framework and illustrates the basic threading capabilities of python.
Kayla Info https://developer.nvidia.com/content/kayla-platform
Amber Molecular Dynamics Engine http://ambermd.org/gpus/