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