VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri May 08 2015 - 11:29:01 CDT
This is posted on behalf of my colleague Chris MacDermaid, who is
organizing this event.
The School on Molecular Dynamics and Enhanced Sampling Methods to be
held at Temple University in Philadelphia, PA on July 6-10 2015 is now
open for registration.
Members of the Michael Klein, Ronald Levy and Vincent Voelz groups are
offering a one week School on Molecular Dynamics (MD) and Enhanced
Sampling Methods at Temple University in Philadelphia, PA.
The school aims to introduce participants to the theory and tools
necessary for performing and analyzing enhanced sampling simulations
using readily available software packages including: NAMD, VMD,
Desmond, Impact, Maestro, MSMBuilder, MDTraj and LAMMPS. Lecturers
include recognized experts and software developers in these fields and
the related software packages.
The curriculum of the school consists of a series of lectures and
intensive, tutored hands-on exercises. While a brief review and
tutorial of basic MD methodology will be provided, some familiarity
with setting up and analyzing regular MD simulations is expected. The
school will place particular emphasis on the statistical mechanical
and methodological foundations of the presented enhanced sampling
methods, e.g.: replica exchange, Markov state modeling, binding free
energies and other methods through collective variables. The hands-on
exercises are structured to guide participants through the process of
system setup, input generation, trajectory data accumulation and
Intended participants are graduate students, post-graduate
researchers, as well as junior staff and faculty who already use or
have used MD in their research and are seeking to improve and expand
their MD expertise. Some familiarity with MD in general and its
theoretical underpinnings is expected, but not necessarily knowledge
of the particular software packages used during the school. A basic
familiarity with Linux is required. A workstation will be provided,
personal laptops can be used as well.
Please note that there is no fee to attend this school, there is no
travel support and no meals provided. Space is limited to 45
participants on a first-come-first-serve basis. The registration
deadline is June 29th, 2015.
If you have any questions please contact me directly at
We hope to see you there!
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.