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OpenMM includes everything one needs to run modern molecular simulations. It is extremely flexible with its custom functions, is open-source, and has high performance, especially on recent GPUs.

License: OpenMM

OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It
provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.

NEED HELP? Check out the discussion forums under Public Forums and the material from our workshops under Downloads.

GET STARTED QUICKLY: Tutorials and sample scripts to run OpenMM are available in the OpenMM Code Repository.

SOURCE CODE: The source code for OpenMM is available under Downloads and also from the Github Source Code Repository.

BENCHMARKS: A collection of benchmarks is available to show the performance of OpenMM simulating a variety of molecular systems.

CITING OPENMM: Any work that uses OpenMM should cite the papers listed on the Publications page.

News

Macromolecular Simulation Software Workshop featuring OpenMM

Jul 15, 2015

Increase your expertise with OpenMM at CECAM’s Macromolecular Simulation Software Workshop.

OpenMM 6.1 Available

Sep 30, 2014

This new release of OpenMM contains lots of new features.

Introducing the OpenMM Script Builder Web Application

May 15, 2013

We are excited to announce the availability of a web application for running simulations with OpenMM - OpenMM Script Builder.

OpenMM YouTube Channel

Mar 8, 2013

We have created a YouTube channel to share video tutorials, workshop videos, and videos highlighting research being done with OpenMM.

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