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arXiv · 1611.00386

Folding kinetics of a polymer [corrigendum]

Bart Vorselaars·Štěpán Růžička·David Quigley·Michael P. Allen
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Abstract

In our original article (Phys. Chem. Chem. Phys., 2012, 14, 60446053) a convergence problem resulted in an averaging error in computing the entropy from a set of Wang-Landau Monte-Carlo simulations. Here we report corrected results for the freezing temperature of the homopolymer chain as a function of the range of the non-bonded interaction. We find that the previously reported forward-flux sampling (FFS) and brute-force (BF) simulation results are in agreement with the revised Wang-Landau (WL) calculations. This confirms the utility of FFS for computing crystallisation rates in systems of this kind.

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Bart Vorselaars, Štěpán Růžička, David Quigley, Michael P. Allen. 2016-10-20. Folding kinetics of a polymer [corrigendum]. https://doi.org/10.1039/c7cp90027a

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