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GROMACS USA Workshop and Conference 2013
Table of contents
1.
Tutorials
Tutorials
Session 1a (Beginner/Intermediate)
Mark Abraham
Topology preparation, "What's in a log file?," and basic performance tuning
Justin Lemkul
Membrane simulations
Session 1b (Intermediate/Advanced)
Michael Shirts
Free energy calculation capabilities in GROMACS (including expanded ensemble and Hamiltonian Replica exchange)
Peter Kasson
How long do I need to run my simulations? A guide to thinking about convergence and sampling
Session 2a (Beginner/Intermediate)
Justin Lemkul
Computing potentials of mean force
Michael Shirts
An introduction to free energy calculations
Mark Abraham
An introduction to replica exchange simulations (temperature and Hamiltonian)
Session 2b (Intermedate/Advanced)
Erik Lindahl
Parallelization schemes and GPU acceleration
Iman Pouya
Large-scale automated ensemble simulation with GROMACS & Copernicus
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Page last modified
23:39, 12 Sep 2013
by mrshirts
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