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Online Resources 1.2. Referencing OpenMM 1.3. Acknowledgments 2. The OpenMM Application Layer: Introduction 3. Installing OpenMM 3.1.

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Installing with Conda 3.2. Installing on Mac OS X 3.3. Installing on Linux 3.4. Installing on Windows 4. Running Simulations 4.1. A First Example 4.2 ...

OpenMM Python API ¶ The Python API provides information about the classes and methods available in OpenMM for Python developers. OpenMM consists of two parts. First, there is a set of libraries for performing many types of computations needed for molecular simulations: force evaluation, numerical integration, energy minimization, etc. Second, there is an application layer, a set of Python ...