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. Author manuscript; available in PMC: 2021 Jul 19.
Published in final edited form as: J Chem Theory Comput. 2020 Nov 4;16(12):7852–7865. doi: 10.1021/acs.jctc.0c00739

Figure 2:

Figure 2:

Illustration of variational approach for conformation dynamics: different functions that live in the conformational space are proposed (see (a) for good a example and (b) for a bad example). Functions are ranked by comparing the function’s value at the beginning of time propagation (top row) to the value at the end of the propagation (bottom row).