[Openmm-news] Announcing OpenMM Workshop in June

Joy P. Ku joyku at stanford.edu
Thu Apr 23 15:41:47 PDT 2009

We would like to invite you to attend our next OpenMM Developer's workshop
from June 24-26, 2009.  It is part of our Molecular Dynamics Workshop
Series.  See the announcement below for details.  


We'd appreciate you forwarding this to others that you think may be
interested in attending.  Thank you.





Joy P. Ku

Director of Dissemination

Simbios, Stanford University






Want to learn how to run molecular dynamics (MD) simulations or analyze
your results with Markov State Models? 

Or are you an MD developer who wants to know how to obtain 100X speedups
of MD code on graphics processing units (GPUs)?* 


Whatever your MD interest, the free upcoming Molecular Dynamics Workshop
Series promises to be an exciting, knowledge-filled opportunity.  The
series consists of three workshops, showcasing software designed for
individuals with different interests and experience with MD, from novices
to experts. 


The OpenMM Developers Workshop is geared towards developers who are
interested in using the OpenMM library to enable their MD code to run on
high performance computer architectures.  The current version of the
freely downloadable OpenMM enables MD codes to run on NVIDIA and ATI GPUs.
The workshop will highlight the explicit solvent capabilities that will be
available in the next OpenMM release in June and include a special track
focused on integration of OpenMM into AMBER. 


Introduction to Molecular Dynamics and OpenMM Zephyr is for researchers
interested in using MD in their research, including novices to MD. You
will learn the theory behind MD and use the OpenMM Zephyr application,
which makes it easy to run and visualize MD simulations.  OpenMM Zephyr
incorporates the OpenMM library, enabling acceleration of the simulations
on GPUs. 


Introduction to Markov State Models and MSMBuilder is for researchers who
want to analyze the results of MD simulations, mapping out the metastable
states of a molecule and the transition rates between them.  You will
learn about Markov State Models and why they are suitable for this, and
use the MSMBuilder software to automatically construct such models, as
well as analyze and visualize them.  



OpenMM Developers Workshop - June 24, 2009 

(additional days for integration of OpenMM - June 25-26, 2009) 

Introduction to Markov State Models and MSMBuilder - June 25, 2009

Introduction to Molecular Dynamics & OpenMM Zephyr - June 26, 2009


Where:  Stanford University. 


Registration is free but required and spaces are limited. For more
details, visit http://simbios.stanford.edu/MDWorkshops.htm


OpenMM, OpenMM Zephyr, and MSMBuilder are supported by Simbios, an NIH
National Center for Physics-Based Simulation of Biological Structures, as
part of its protein folding research efforts. To learn more about Simbios
and its research and software tools, visit http://simbios.stanford.edu. 


*OpenMM accelerated code running on Nvidia GeForce GTX 280 GPU vs.
conventional code with Amber9 running on Intel Xenon 2.66 GHz CPU. MS
Friedrichs, et al., "Accelerating Molecular Dynamic Simulation on Graphics
Processing Units," J. Comp. Chem., 2009, 30(6), 864-872.




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