CCL: Molecular Dynamics Workshop Series
- From: "Joy Ku" <joyku#stanford.edu>
- Subject: CCL: Molecular Dynamics Workshop Series
- Date: Thu, 14 May 2009 12:47:06 -0400
Sent to CCL by: "Joy Ku" [joyku::stanford.edu]
When:
* OpenMM Developers Workshop for speeding up your molecular dynamics code on
GPUs June 24, 2009 (additional days for integration of OpenMM June 25-26,
2009)
* Introduction to Markov State Models and MSMBuilder for analyzing molecular
dynamics results June 25, 2009
* Introduction to Molecular Dynamics & OpenMM Zephyr June 26, 2009
Where: Stanford University
=== Details ===
The free upcoming Molecular Dynamics Workshop Series sponsored by Simbios, an
NIH National Center for Biomedical Computing, 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 and has shown 100X.* 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.
Registration is free but required and spaces are limited. For more details,
visit http://simbios.stanford.edu/MDWorkshops.htm
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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.