Suite of WESTPA 2.0 advanced tutorials: Supplementary information

This repository provides input/output files for the suite of six advanced tutorials on using major upgrades in the WESTPA 2.0 software package (see preprint, which has been submitted to LiveCoMS: https://github.com/westpa/tutorials/blob/main/paper/CombinedSuiteofWESTPATutorials.pdf).

The rest of the files (Tutorials 7.1-7.4) are located in https://github.com/westpa/westpa_tutorials. Check out the Tutorial Hub at https://github.com/westpa/tutorials for more information.

7.5 Creating “Binless” Resampling Schemes: Na+/Cl- Association Simulations

7.6 Adaptive Binning and HDF5 Storage of Coordinates: 1-Butanol Membrane Permeation

7.7 Analysis and Restarting with haMSMs: NTL9 Protein Folding

7.8 Custom Analysis Routines and RED-Scheme Rate Constants

7.9 M-WEM Simulations: Alanine Dipeptide

7.10 WESTPA/BNG Plugin: Systems Biology Simulations