Skip to main content
. Author manuscript; available in PMC: 2022 Feb 9.
Published in final edited form as: J Chem Theory Comput. 2022 Jan 19;18(2):638–649. doi: 10.1021/acs.jctc.1c01154

Figure 5.

Figure 5.

Flowchart for implementing binless resampling schemes in WESTPA 2.0. The implementation involves grouping trajectories by feature (using the group_function keyword defined in the group module) before splitting and merging. The functionality for positioning bins along a chosen progress coordinate remains available in WESTPA 2.0.