Fig. 2: Boltzmann statistics for model systems. | Nature Communications

Fig. 2: Boltzmann statistics for model systems.

From: Learning molecular dynamics with simple language model built upon long short-term memory neural network

Fig. 2

The analytical free energy generated from a linear 3-state, b triangular 3-state, c symmetric 4-state model potentials and d, e, f are the corresponding 1-dimensional projections along x-direction. In the bottom, we compare the Boltzmann probabilities of g linear 3-state, h triangular 3-state, and i symmetric 4-state models for every labeled state generated from actual MD simulation and from our long short-term memory (LSTM) network. The errorbars are calculated as standard errors.

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