The construction of general basis functions in reweighting ensemble dynamics simulations: Reproduce equilibrium distribution in complex systems from multiple short simulation trajectories
Zhang Chuan-Biao, Li Ming, Zhou Xin†
The construction of general basis functions in reweighting ensemble dynamics simulations: Reproduce equilibrium distribution in complex systems from multiple short simulation trajectories |
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Zhang Chuan-Biao, Li Ming, Zhou Xin†
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| (a) The 41 cells are shown as the blue circle. (b) The 41 eigenvalues in PCA analysis of cells. (c) Reconstructed distribution (green bar), original distribution (blue bar), and theoretical value (dash line). |
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