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Reconstructing Free Energy Profiles from Nonequilibrium Relaxation Trajectories

✍ Scribed by Qi Zhang; Jasna Brujić; Eric Vanden-Eijnden

Publisher
Springer
Year
2011
Tongue
English
Weight
898 KB
Volume
144
Category
Article
ISSN
0022-4715

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✍ Harald Oberhofer; Christoph Dellago 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 491 KB

## Abstract Hummer and Szabo recently presented a method based on the Jarzynski equality to calculate Helmholtz free energy profiles from nonequilibrium pathways obtained in simulations or experiments. In their approach, the free energy is reconstructed from weighted histograms. Here, we give a sys