Extended Phase-Space Simulations with OpenMM
Project description
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
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