[Openmm-news] Macromolecular Simulation Software Workshop featuring OpenMM Sub-Workshop

Joy P. Ku joyku at stanford.edu
Wed Jul 15 12:14:52 PDT 2015

Increase your expertise with OpenMM at CECAM's Macromolecular Simulation
Software Workshop.  OpenMM developer Peter Eastman and OpenMM power user
John Chodera will help run the sub-workshop on "Developing interoperable
and portable molecular simulation software libraries," which will teach
attendees how to develop code with OpenMM and the free energy calculations
library Plumed.


Macromolecular Simulation Software Workshop


Dates:  October 12, 2015 to October 25, 2015

Location: CECAM-DE-JUELICH, Juelich, Germany 

Application deadline:  July 27, 2015.  Each sub-workshop is limited to 30

Registration and more information:



Biomolecular simulation continues to grow in popularity and scope of
application. It is no longer the preserve of a few specialist groups but
is widespread - part of the 'toolkit' used by researchers in a wide
variety of fields, often closely integrated with other experimental
research techniques. As the use of biomolecular simulation grows, a
corresponding boom in (decentralised) software development is taking

This workshop is formatted as six sequential workshops, each 2 days long,
that enable participants to learn about many different aspects of
biomolecular simulation software:  

*         Software development and engineering

*         Simulation data analysis

*         Setting up simulations

*         Development of software libraries

*         High-performance distributed computing tools

*         Advanced sampling and long timescale molecular dynamics. 

Participants will be able to attend all sub-workshops or just a subset of
them.  In the process, they will learn about many biomolecular simulation
software that are available, including: 

*         OpenMM (https://simtk.org/home/openmm),

*         MMTK (http://dirac.cnrs-orleans.fr/MMTK/),

*         MDAnalysis (https://code.google.com/p/mdanalysis/) ,

*         MDTraj (http://mdtraj.org/latest/),

*         SIRE (http://siremol.org/Sire/Home.html),

*         Bookshelf (http://sbcb.bioch.ox.ac.uk/bookshelf/)

as well as more general-purpose Python-based tools that have clear
applicability to biosimulation - e.g. RADICAL-Cybertools
<http://radical-cybertools.github.com/> ).

To register or learn more about the workshop, visit


There is no registration fee for the workshop, but accommodation, meals
and all other travel costs must be covered by participants. Some funding
may be provided by NSF to enable US early career researchers to attend the





Joy P. Ku, PhD

Director,   <http://simbios.stanford.edu/> Simbios

Director of Communications & Training,  <http://opensim.stanford.edu/>

Director of Communications & Engagement,  <http://mobilize.stanford.edu/>
Mobilize Center

Stanford University

(w)  650.736.8434, (f)  650.723.7461

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

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