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. Author manuscript; available in PMC: 2018 Sep 12.
Published in final edited form as: J Chem Theory Comput. 2017 Aug 31;13(9):4593–4603. doi: 10.1021/acs.jctc.7b00690

Figure 3.

Figure 3

(A) Simulation of hENM model using stochastic gradient descent (blue) and full covariance matrix (green) to bias the two shown CVs as well as their variance, with otherwise identical algorithmic parameters, (B) The full covariance method is compared to the Levenberg-Marquardt (LM) algorithm with γ = 0.1, γ = 0.01, and the adaptive algorithm with starting γ = 0.1.