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README.md

Tutorial 7.1: Basic WESTPA tutorial (Na+ Cl- association)

This tutorial is meant to introduce new users to the WESTPA software for running Weighted Ensemble (WE) simulations.

Tutorial files

All files necessary for completing the tutorial can be found in this directory.

Full tutorial

Find the full tutorial in the LiveComs journal article on best practices for Weighted Ensemble simulations. (https://github.com/westpa/tutorials)

Authors

  • Anthony Bogetti - Primary work - atbogetti
  • Alex DeGrave - Preliminary work - ajd98