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Erratum: 'Heating and flooding: A unified approach for rapid generation of free energy surfaces' [J. Chem. Phys. 137, 024102 (2012)].

Authors :
Chen, Ming
Cuendet, Michel A.
Tuckerman, Mark E.
Source :
Journal of Chemical Physics; Aug2013, Vol. 139 Issue 6, p069901-069901-2, 1p, 1 Chart, 2 Graphs
Publication Year :
2013

Abstract

We correct an error in our original paper. Calculations originally reported for the alanine tripeptide were performed using the earlier driven adiabatic free energy dynamics (d-AFED) approach rather than the new unified free energy dynamics (UFED) scheme. When UFED is applied to this system, the rate of convergence of the free energy surface improves significantly over that originally reported for d-AFED. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
139
Issue :
6
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
89714812
Full Text :
https://doi.org/10.1063/1.4817782