[Openmm-news] Registration Open for Workshop: Rapid Molecular Dynamics Prototyping and Simulations with OpenMM

[Joy P. Ku]

Simbios invites you to join us at its next Open Molecular Mechanics
(OpenMM) workshop.  

OpenMM <http://simtk.org/home/openmm>  is open-source software that
enables molecular dynamics (MD) simulations to be accelerated on high
performance computer architectures. It has demonstrated speed ups for both
implicit solvent[1] and explicit solvent simulations[2] on graphics
processing units (GPUs).  

And with the new application layer in its upcoming release, OpenMM will
allow non-programmers to easily and quickly run MD simulations and develop
custom algorithms on GPUs, while continuing to enable programmers to
integrate OpenMM into their own programs.

 

***WORKSHOP:  RAPID MOLECULAR DYNAMICS PROTOTYPING AND SIMULATIONS WITH
OPENMM***

 

Where:  Stanford University

When:   Feb. 16-17, 2012 

Description:

This workshop is designed for those interested in accelerating MD
simulations on GPUs and/or developing new MD algorithms that can
automatically be implemented and accelerated on GPUs.  No programming
background is required, though programming topics will also be covered for
those who are interested in them.

During the workshop, you will gain hands-on experience using OpenMM's new
application layer and application programming interface (API).  Learn to:

* Set up and run an MD simulation on your GPU using both PDB and AMBER
files 

* Create a custom force to apply to your simulations

* Customize the simulation through Python scripting

You will also have time to work with the OpenMM development team on your
own research project.

Registration is free but required and spaces are limited. To register or
for more information, visit http://simbios.stanford.edu/MDWorkshops.htm.

  _____  

OpenMM is supported by Simbios, an NIH National Center for Physics-Based
Simulation of Biological Structures. To learn more about Simbios and its
research and software tools, visit http://simbios.stanford.edu
<http://simbios.stanford.edu/> . 

 

[1] 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.
[2]Eastman, P. and Pande, V.S., "Efficient Nonbonded Interactions for
Molecular Dynamics on a Graphics Processing Unit," J. Comp. Chem., 2010,
31(6):1268-1272.



 

 

 

 

 

_______________________________________________

 

Joy P. Ku, PhD

Director, Simbios

 <http://simbios.stanford.edu> http://simbios.stanford.edu

 

Director of Communications & Training,

National Center for Simulation in Rehabilitation Research

 <http://opensim.stanford.edu> http://opensim.stanford.edu

 

(W)  650.736.8434, (F)  650.723.7461

Email:   <mailto:joyku at stanford.edu> joyku at stanford.edu

 

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