Desmond Workshop at the PSC, 10/27/09

Desmond v.2.2 Workshop at the Pittsburgh Supercomputing Center;

Tuesday, October 27, 2009

This one-day workshop (9 am to 4 pm) will introduce researchers to the
newly released version (v.2.2) of Desmond software from DE Shaw
Research, used for molecular dynamics simulations of biological
molecules. Attendees will learn the basic concepts underlying Desmond,
and how to run simulations and analyze results. The workshop will be
co-hosted by the National Resource for Biomedical Supercomputing
(NRBSC) and the Pittsburgh Supercomputing Center (PSC), with
instructors from DE Shaw Research, the NRBSC, and the PSC.  Topics
will include preparing structure files, setting system constraints,
specifying force fields, and post-simulation analysis. A hands-on lab
session will provide an opportunity to work with Desmond on local
workstations and large scale PSC systems.

The workshop is geared toward life science researchers but will also
be of interest to anyone investigating molecular motions and
interactions using computer simulation techniques. A broad familiarity
with the concepts of molecular dynamics simulations and a working
knowledge of Unix is recommended.

Attendees are responsible for their own travel arrangements.  Please
visit the workshop website at http://www.psc.edu/training/Desmond/ for
registration and housing information.