Extended Phase-Space Simulations with OpenMM

Overview

Installation and Usage

OpenXPS is available as a conda package on the mdtools channel. To install it, run:

    conda install -c conda-forge -c mdtools openxps

Or:

    mamba install -c mdtools openxps

To use OpenXPS in your own Python script or Jupyter notebook, simply import it as follows:

    import openxps

Documentation

Documentation for the latest OpenXPS version is available at Github Pages.

Copyright

Copyright (c) 2024 C. Abreu