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Welcome to the WESTPA Wiki!

This repository is for community development of the open-source WESTPA software package for application of the weighted ensemble (WE) path sampling strategy.

Installing WESTPA

Tutorials - Learning oriented

• Getting Started
• Tutorials
• Glossary of WESTPA Terminology

How-to Guide - Problem oriented

• User Guide
• Tips and Tricks
• Frequently Asked Questions
• Error messages

References - Information oriented

• Developer Guide
• Sphinx Documentation

Discussions - Understanding oriented

• Introduction to the WE Strategy document/video, and recent advances by Daniel Zuckerman
• Slides introducing the WE strategy and 2021 HITS seminar on recent WE applications by Lillian Chong
• Background & Context
• In-Depth Video Discussions

Other

• How to Edit the Wiki
• Tips for Running Conventional MD Simulations
• Site Map

Companion software tools:

• LPATH : Linguistics Pathway Analysis of Trajectories with Hierarchical clustering
• WEDAP : For Weighted Ensemble Data Analysis and Plotting
• msm_we : For building haMSMs of your WE simulation data