Chinese Physics B, Volume. 29, Issue 10, (2020)
Find slow dynamic modes via analyzing molecular dynamics simulation trajectories
Fig. 1. (a) Time evolution of the RMSD of the Trp-cage to its native structure, the slow variables
Fig. 2. Time-ordered similarity matrix of the MD trajectory. The similarity between two samples
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Chuanbiao Zhang, Xin Zhou. Find slow dynamic modes via analyzing molecular dynamics simulation trajectories[J]. Chinese Physics B, 2020, 29(10):
Received: Jun. 18, 2020
Accepted: --
Published Online: Apr. 21, 2021
The Author Email: Zhou Xin (xzhou@ucas.ac.cn)