Welcome to openMICRON’s documentation!

The openMICRON Python package is developed on OpenMM, a GPU-accelerated molecular simulation engine, specifically for executing the AICG2+ (atom interaction-based coarse-grained) model. The AICG2+ model is a coarse-grained protein model constructed by Wenfei Li and others. It is capable of describing biological processes such as protein folding and enzyme catalysis. Users can quickly create AICG2+ models using the API provided by this package.

Contents

Installation

• Installation

API

• Model API
• Force functions
• Utils
• Enhanced sampling

Example

• Example 1. protein sh3 based on one bead model
• Example 2. Simulating the Amyloid-\(\beta42\) monomer.

Reference

• Reference