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Need help? See the Public Forums. Tutorials and sample scripts to run OpenMM are also available in the OpenMM Code Repository and are an excellent way to quickly get started.
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OpenMM
OpenMM is an extensible library that enables accelerated calculations for molecular dynamics on high-performance computer architectures, including GPUs and multicore CPUs.
7.1.1
May 12, 2017

Version 7.1 includes improved performance, a Gay-Berne ellipsoid potential, support for computing derivatives of the energy with respect to arbitrary parameters, and more. 7.1.1 is a bug fix update. The easiest way to install OpenMM is with the conda package manager. The binary packages below are an alternative for cases when conda is not available.

Download Links

Installation Instructions

Apr 11, 2016
0
Any
Application/binary
Instructions for installing OpenMM with the conda package manager.

Pre-compiled Binaries

May 13, 2017
10 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

May 12, 2017
27 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 8.0, AMD, and Intel GPUs.

May 16, 2017
12 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 2015. Supports NVIDIA GPUs with CUDA 8.0, AMD, and Intel GPUs.

Source Code

May 12, 2017
18 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Jan 27, 2017
A guide to installing and using OpenMM.

Jan 27, 2017
A guide for developers who want to add new features to OpenMM.

Feb 16, 2017
Detailed C++ API documentation for the OpenMM library.

Feb 16, 2017
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.

PLEASE CITE THESE PAPERS

P. Eastman, M. S. Friedrichs, J. D. Chodera, R. J. Radmer, C. M. Bruns, J. P. Ku, K. A. Beauchamp, T. J. Lane, L.-P. Wang, D. Shukla, T. Tye, M. Houston, T. Stich, C. Klein, M. R. Shirts, and V. S. Pande. "OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation." J. Chem. Theor. Comput., 9(1), 461–469. (2013) View

M. S. Friedrichs, P. Eastman, V. Vaidyanathan, M. Houston, S. LeGrand, A. L. Beberg, D. L. Ensign, C. M. Bruns, V. S. Pande. “Accelerating Molecular Dynamic Simulation on Graphics Processing Units.” J. Comp. Chem., 30(6), 864-872. (2009)

Previous Releases


7.1

Feb 03, 2017

Version 7.1 includes improved performance, a Gay-Berne ellipsoid potential, support for computing derivatives of the energy with respect to arbitrary parameters, and more. The easiest way to install OpenMM is with the conda package manager. The binary packages below are an alternative for cases when conda is not available.

Download Links

Installation Instructions

Apr 11, 2016
0
Any
Application/binary
Instructions for installing OpenMM with the conda package manager.

Pre-compiled Binaries

Jan 27, 2017
9 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

Jan 27, 2017
27 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 8.0, AMD, and Intel GPUs.

Jan 27, 2017
11 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 2015. Supports NVIDIA GPUs with CUDA 8.0, AMD, and Intel GPUs.

Source Code

Jan 27, 2017
18 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Jan 27, 2017
A guide to installing and using OpenMM.

Jan 27, 2017
A guide for developers who want to add new features to OpenMM.

Feb 16, 2017
Detailed C++ API documentation for the OpenMM library.

Feb 16, 2017
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


7.0.1

May 25, 2016

Major improvements in version 7.0 include improved performance, flow control in custom integrators, extrapolated polarization, writing PDBx/mmCIF files, compound integrators, and more. The easiest way to install OpenMM is with the conda package manager. The binary packages below are an alternative for cases when conda is not available.

Download Links

Installation Instructions

Apr 11, 2016
0
Any
Application/binary
Instructions for installing OpenMM with the conda package manager.

Pre-compiled Binaries

May 25, 2016
10 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

May 25, 2016
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 7.5, AMD, and Intel GPUs.

May 25, 2016
14 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 7.5, AMD, and Intel GPUs.

Source Code

May 25, 2016
19 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Apr 04, 2016
A guide to installing and using OpenMM.

Apr 04, 2016
A guide for developers who want to add new features to OpenMM.

Apr 04, 2016
Detailed C++ API documentation for the OpenMM library.

Apr 04, 2016
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


7.0

Apr 11, 2016

Major improvements in version 7.0 include improved performance, flow control in custom integrators, extrapolated polarization, writing PDBx/mmCIF files, compound integrators, and more. The easiest way to install OpenMM is with the conda package manager. The binary packages below are an alternative for cases when conda is not available.

Download Links

Installation Instructions

Apr 11, 2016
0
Any
Application/binary
Instructions for installing OpenMM with the conda package manager.

Pre-compiled Binaries

Apr 04, 2016
12 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

Apr 04, 2016
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 7.5, AMD, and Intel GPUs.

Apr 04, 2016
14 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 7.5, AMD, and Intel GPUs.

Source Code

Apr 04, 2016
19 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Apr 04, 2016
A guide to installing and using OpenMM.

Apr 04, 2016
A guide for developers who want to add new features to OpenMM.

Apr 04, 2016
Detailed C++ API documentation for the OpenMM library.

Apr 04, 2016
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.3.1

Dec 18, 2015

6.3 adds many new features, including triclinic boxes, rRESPA, aMD, support for OpenCL on Mac OS X, more options for building solvent boxes, a barostat for RPMD simulations, and more. 6.3.1 is a bug fix update.

Download Links

Pre-compiled Binaries

Dec 18, 2015
10 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

Dec 18, 2015
11 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 7.0, AMD, and Intel GPUs.

Jan 04, 2016
12 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 7.0, AMD, and Intel GPUs.

Source Code

Dec 18, 2015
17 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Jul 20, 2015
A guide to installing and using OpenMM.

Jul 20, 2015
A guide for developers who want to add new features to OpenMM.

Jul 23, 2015
Detailed C++ API documentation for the OpenMM library.

Jul 23, 2015
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.3

Jul 24, 2015

This release adds many new features, including triclinic boxes, rRESPA, aMD, support for OpenCL on Mac OS X, more options for building solvent boxes, a barostat for RPMD simulations, and more.

Download Links

Pre-compiled Binaries

Jul 20, 2015
10 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA, AMD, and Intel GPUs.

Jul 20, 2015
11 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 7.0, AMD, and Intel GPUs.

Jul 20, 2015
12 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 7.0, AMD, and Intel GPUs.

Source Code

Jul 20, 2015
17 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Jun 08, 2015
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Precompiled OpenMM binaries require version 7.0.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Jul 20, 2015
A guide to installing and using OpenMM.

Jul 20, 2015
A guide for developers who want to add new features to OpenMM.

Jul 23, 2015
Detailed C++ API documentation for the OpenMM library.

Jul 23, 2015
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.2

Dec 12, 2014

This release is focused on performance, and brings large speed improvements to many simulations. Other new features include a new barostat for membrane simulations, a new custom force for many-body interactions, and PDBx/mmCIF support.Notes

Download Links

Pre-compiled Binaries

Dec 04, 2014
10 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA GPUs with CUDA 6.5.

Dec 04, 2014
10 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 6.5, AMD, and Intel GPUs.

Dec 04, 2014
9 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 6.5, AMD, and Intel GPUs.

Source Code

Dec 04, 2014
14 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Nov 07, 2014
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 6.5.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Dec 03, 2014
A guide to installing and using OpenMM.

Dec 03, 2014
A guide for developers who want to add new features to OpenMM.

Dec 11, 2014
Detailed C++ API documentation for the OpenMM library.

Dec 11, 2014
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.1

Aug 01, 2014

Major new features include the AMOEBA 2013 force field, the CHARMM polarizable force field, support for reading CHARMM parameter and topology files, new types of tabulated functions, new types of virtual sites, and improvements to performance.

Download Links

Pre-compiled Binaries

Aug 25, 2014
11 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA GPUs with CUDA 6.0.

Aug 25, 2014
10 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 6.0 and AMD GPUs with APP SDK 2.4 or later.

Aug 25, 2014
10 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 6.0 and AMD GPUs with APP SDK 2.4 or later.

Aug 25, 2014
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 6.0, or AMD GPUs with APP SDK 2.4 or later

Source Code

Aug 25, 2014
14 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Sep 26, 2014
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 6.0.

Feb 12, 2014
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Aug 25, 2014
A guide to installing and using OpenMM.

Aug 25, 2014
A guide for developers who want to add new features to OpenMM.

Sep 02, 2014
Detailed C++ API documentation for the OpenMM library.

Sep 02, 2014
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.0.1

Apr 25, 2014

Version 6.0 introduces a new Platform optimized for running on multicore CPUs. 6.0.1 is a patch update that fixes a small number of bugs.Notes

Download Links

Pre-compiled Binaries

May 06, 2014
16 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA GPUs with CUDA 5.5.

May 06, 2014
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 5.5 and AMD GPUs with APP SDK 2.4 or later.

May 06, 2014
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 5.5 and AMD GPUs with APP SDK 2.4 or later.

May 06, 2014
14 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 5.5, or AMD GPUs with APP SDK 2.4 or later

Source Code

May 06, 2014
16 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Feb 12, 2014
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.5.

Feb 12, 2014
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Feb 12, 2014
A guide to installing and using OpenMM.

Feb 12, 2014
A guide for developers who want to add new features to OpenMM.

Feb 15, 2014
Detailed C++ API documentation for the OpenMM library.

Feb 15, 2014
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


6.0

Feb 21, 2014

This release introduces a new Platform optimized for running on multicore CPUs.

Download Links

Pre-compiled Binaries

Feb 18, 2014
16 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Requires Mac OS X 10.7 or later. Supports NVIDIA GPUs with CUDA 5.5.

Feb 10, 2014
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 5.5 and AMD GPUs with APP SDK 2.4 or later.

Feb 10, 2014
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supports NVIDIA GPUs with CUDA Toolkit 5.5 and AMD GPUs with APP SDK 2.4 or later.

Feb 10, 2014
14 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supports NVIDIA GPUs with CUDA 5.5, or AMD GPUs with APP SDK 2.4 or later

Source Code

Feb 10, 2014
16 MB
Any
Source code
Source code for OpenMM.

Feb 12, 2014
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Feb 12, 2014
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.5.

Feb 12, 2014
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Feb 12, 2014
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Feb 12, 2014
A guide to installing and using OpenMM.

Feb 12, 2014
A guide for developers who want to add new features to OpenMM.

Feb 15, 2014
Detailed C++ API documentation for the OpenMM library.

Feb 15, 2014
Detailed Python API documentation for the OpenMM library.

Related tools

Feb 12, 2014
A Web application for creating scripts to run simulations in OpenMM

Feb 12, 2014
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Feb 12, 2014
Follow this link to see if your NVIDIA GPU is supported.

Feb 12, 2014
Follow this link to see if your AMD GPU is supported.

Workshop materials

Feb 12, 2014
Link to slides & videos from our OpenMM workshop series.


5.2

Aug 21, 2013

This release adds many new features. Highlights include Drude oscillators, an anisotropic barostat, new capabilities in CustomNonbondedForce, RPMD ring polymer contraction, and speed improvements.Notes

Download Links

Pre-compiled Binaries

Sep 20, 2013
15 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.7 or later.

Sep 20, 2013
13 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.5 and on AMD GPUs with APP SDK 2.4 or later.

Sep 20, 2013
13 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.5 and on AMD GPUs with APP SDK 2.4 or later.

Sep 20, 2013
14 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 5.5, or AMD GPUs with APP SDK 2.4 or later

Source Code

Sep 20, 2013
12 MB
Any
Source code
Source code for OpenMM.

Sep 20, 2013
0
Any
Source code
The git repository containing the latest development version of the OpenMM source code.

Links for GPU Code

Sep 20, 2013
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.5.

Sep 20, 2013
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Sep 20, 2013
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

Sep 20, 2013
A guide to installing and using OpenMM.

Sep 20, 2013
A guide for developers who want to add new features to OpenMM.

Sep 20, 2013
Detailed C++ API documentation for the OpenMM library.

Sep 20, 2013
Detailed Python API documentation for the OpenMM library.

Related tools

Sep 23, 2013
A Web application for creating scripts to run simulations in OpenMM

Sep 20, 2013
Collection of scripts and other resources for getting started with OpenMM

GPU related links

Sep 20, 2013
Follow this link to see if your NVIDIA GPU is supported.

Sep 20, 2013
Follow this link to see if your AMD GPU is supported.

Workshop materials

Sep 20, 2013
Link to slides & videos from our OpenMM workshop series.


5.1

May 08, 2013

This release focuses on performance, with large speed improvements to many simulations. Other new features include import of Gromacs TOP files and support for Intel's OpenCL.Notes

Download Links

Pre-compiled Binaries

May 01, 2013
14 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.6 or later.

May 01, 2013
13 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

May 01, 2013
13 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

May 01, 2013
13 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 5.0, or AMD GPUs with APP SDK 2.4 or later

Source Code

May 01, 2013
14 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

May 01, 2013
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.0.

May 01, 2013
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

May 01, 2013
0
Any
Application/binary
Link to SDK for running OpenCL applications on Intel CPUs. Version 2013 or later is required.

Documentation Links

May 01, 2013

May 01, 2013
A guide for developers who want to add new features to OpenMM.

May 01, 2013
Detailed C++ API documentation for the OpenMM library.

May 01, 2013
Detailed Python API documentation for the OpenMM library.

Sep 10, 2013
Collection of scripts and other resources for getting started with OpenMM

GPU-related links

May 01, 2013
Follow this link to see if your NVIDIA GPU is supported.

May 01, 2013
Follow this link to see if your AMD GPU is supported.

Workshop materials

May 01, 2013
Link to slides & videos from our OpenMM workshop series.


5.0.1

Feb 28, 2013

This is a major update that includes lots of new features and internal changes. Highlights include a completely new CUDA-based platform with significantly improved performance on recent NVIDIA GPUs, support for double precision, checkpointing, and a CustomCompoundBondForce class.Notes

Download Links

Pre-compiled Binaries

Feb 28, 2013
14 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.6 or later.

Feb 28, 2013
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

Feb 28, 2013
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

Feb 28, 2013
13 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 5.0, or AMD GPUs with APP SDK 2.4 or later

Source Code

Feb 28, 2013
14 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

Mar 04, 2013
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.0.

Mar 04, 2013
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Mar 04, 2013
A guide to installing and using OpenMM.

Mar 04, 2013
A guide for developers who want to add new features to OpenMM.

Mar 04, 2013
Detailed C++ API documentation for the OpenMM library.

Mar 04, 2013
Detailed Python API documentation for the OpenMM library.

GPU-related links

Mar 04, 2013
Follow this link to see if your NVIDIA GPU is supported.

Mar 04, 2013
Follow this link to see if your AMD GPU is supported.

Workshop materials

Mar 04, 2013
Link to slides & videos from our OpenMM workshop series.


5.0

Jan 31, 2013

This is a major update that includes lots of new features and internal changes. Highlights include a completely new CUDA-based platform with significantly improved performance on recent NVIDIA GPUs, support for double precision, checkpointing, and a CustomCompoundBondForce class.Notes

Download Links

Pre-compiled Binaries

Jan 28, 2013
14 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.6 or later.

Jan 28, 2013
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

Jan 28, 2013
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 5.0 and on AMD GPUs with APP SDK 2.4 or later.

Jan 28, 2013
13 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 5.0, or AMD GPUs with APP SDK 2.4 or later

Source Code

Jan 28, 2013
14 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

Dec 19, 2012
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. OpenMM requires version 5.0.

Dec 19, 2012
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Jan 23, 2013
A guide to installing and using OpenMM.

Dec 21, 2012
A guide for developers who want to add new features to OpenMM.

Jan 24, 2013
Detailed C++ API documentation for the OpenMM library.

Jan 24, 2013
Detailed Python API documentation for the OpenMM library.

GPU-related links

Jan 24, 2013
Follow this link to see if your NVIDIA GPU is supported.

Jan 24, 2013
Follow this link to see if your AMD GPU is supported.

Workshop materials

Jan 24, 2013
Link to slides & videos from our OpenMM workshop series.


4.1.1

Jul 06, 2012

OpenMM 4.1 includes many new features, optimizations, and bug fixes. Highlights include model building tools, a CustomIntegrator class, virtual sites, and more water models. Version 4.1.1 adds a few important bug fixes.Notes

Download Links

Pre-compiled Binaries

Jul 06, 2012
17 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.6 or later.

Jul 06, 2012
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.1 and on AMD GPUs with APP SDK 2.4.

Jul 06, 2012
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.1 and on AMD GPUs with APP SDK 2.4.

Jul 06, 2012
15 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 4.1, and on AMD GPUs with APP SDK 2.4.

Source Code

Jul 06, 2012
15 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

Jul 06, 2012
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 4.1 of the developer drivers and CUDA toolkit.

Jul 06, 2012
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Jul 06, 2012
A guide to installing and using OpenMM

Jul 06, 2012
A guide to running simulations with the OpenMM application layer

Jul 06, 2012
A guide for developers who want to add new features to OpenMM

Jul 06, 2012
Detailed Python API documentation for the OpenMM library.

Jul 06, 2012
Detailed C++ API documentation for the OpenMM library.

Using OpenMM in the Cloud

Oct 18, 2012
Instructions for using OpenMM on Amazon's EC2 Computing Services

GPU-related links

Jul 06, 2012
Follow this link to see if your NVIDIA GPU is supported.

Jul 06, 2012
Follow this link to see if your AMD GPU is supported.

Workshop materials

Jul 06, 2012
Link to slides & videos from our OpenMM workshop series.


4.1

May 08, 2012

OpenMM 4.1 includes many new features, optimizations, and bug fixes. Highlights include model building tools, a CustomIntegrator class, virtual sites, and more water models.Notes

Download Links

Pre-compiled Binaries

May 04, 2012
17 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with Mac OS X 10.6 or later.

May 04, 2012
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.1 and on AMD GPUs with APP SDK 2.4.

May 04, 2012
14 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.1 and on AMD GPUs with APP SDK 2.4.

May 04, 2012
15 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 4.1, and on AMD GPUs with APP SDK 2.4.

Source Code

May 04, 2012
15 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

Apr 27, 2012
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 4.1 of the developer drivers and CUDA toolkit.

Apr 27, 2012
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Apr 27, 2012
A guide to installing and using OpenMM

Apr 27, 2012
A guide to running simulations with the OpenMM application layer

Apr 27, 2012
A guide for developers who want to add new features to OpenMM

May 08, 2012
Detailed C++ API documentation for the OpenMM library.

May 08, 2012
Detailed Python API documentation for the OpenMM library.

GPU-related links

Apr 27, 2012
Follow this link to see if your NVIDIA GPU is supported.

Apr 27, 2012
Follow this link to see if your AMD GPU is supported.

Workshop materials

Apr 27, 2012
Link to slides & videos from our OpenMM workshop series.


4.0

Jan 12, 2012

OpenMM 4.0 introduces a new application layer, allowing users to easily run simulations out of the box. It also includes major performance improvements and support for Ring Polymer Molecular Dynamics.

Download Links

Pre-compiled Binaries

Jan 11, 2012
15 MB
Mac OS X
Application/binary
OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 4.0, and on AMD GPUs with Mac OS X 10.6 or later.

Jan 11, 2012
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Jan 11, 2012
12 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Jan 11, 2012
15 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 4.0, and on AMD GPUs with APP SDK 2.4.

Source Code

Jan 11, 2012
14 MB
Any
Source code
Source code for OpenMM.

Links for GPU Code

Nov 29, 2011
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 4.0 of the developer drivers and CUDA toolkit.

Nov 29, 2011
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Mar 13, 2012
Detailed API documentation for the OpenMM library

Jan 11, 2012
A guide to installing and using OpenMM

Jan 11, 2012
A guide to running simulations with the OpenMM application layer

Nov 29, 2011
A guide for developers who want to add new features to OpenMM

GPU-related links

Nov 29, 2011
Follow this link to see if your NVIDIA GPU is supported.Follow this link to see if your NVIDIA GPU is supported.

Nov 29, 2011
Follow this link to see if your AMD GPU is supported.

Workshop materials

Nov 29, 2011
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM.


3.1.1

Aug 11, 2011

OpenMM 3.1 includes major performance improvements, especially to the AMOEBA force field, as well as support for parallelizing computations across multiple GPUs, bug fixes, and more.Notes

Download Links

Pre-compiled Binaries

Aug 11, 2011
14 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 4.0, and on AMD GPUs with Mac OS X 10.6 or later.

Aug 11, 2011
10 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Aug 12, 2011
11 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Aug 11, 2011
11 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 4.0, and on AMD GPUs with APP SDK 2.4.

Aug 11, 2011
11 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supported on NVIDIA GPUs with CUDA 4.0, and on AMD GPUs with APP SDK 2.4.

Source code

Aug 11, 2011
13 MB
Any
Source code
Source code for OpenMM.

Links for GPU code

Aug 11, 2011
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 4.0 of the developer drivers and CUDA toolkit.

Aug 11, 2011
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Aug 24, 2011
A guide to installing and using OpenMM

Aug 11, 2011
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (directory also included with source)

Aug 11, 2011
Detailed API documentation for the OpenMM library.

Aug 11, 2011
A guide for developers who want to add new features to OpenMM

GPU-related links

Aug 11, 2011
Follow this link to see if your NVIDIA GPU is supported.

Aug 11, 2011
Follow this link to see if your AMD GPU is supported.

Workshop materials

Aug 11, 2011
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM.


3.1

Aug 02, 2011

This release includes major performance improvements, especially to the AMOEBA force field, as well as support for parallelizing computations across multiple GPUs, bug fixes, and more.

Download Links

Aug 01, 2011
14 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 4.0, and on AMD GPUs with Mac OS X 10.6 or later.

Aug 01, 2011
10 MB
Linux
Application/binary
OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Aug 01, 2011
11 MB
Linux
Application/binary
OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 4.0 and on AMD GPUs with APP SDK 2.4.

Aug 01, 2011
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 4.0, and on AMD GPUs with APP SDK 2.4.

Aug 01, 2011
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 10. Supported on NVIDIA GPUs with CUDA 4.0, and on AMD GPUs with APP SDK 2.4.

Aug 02, 2011
13 MB
Any
Source code
Source code for OpenMM.

Aug 02, 2011
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 4.0 of the developer drivers and CUDA toolkit.

Aug 02, 2011
0
Any
Application/binary
Link to AMD APP SDK. Version 2.4 or later is required to use AMD GPUs on Linux or Windows.

Documentation Links

Aug 02, 2011
A guide to installing and using OpenMM

Aug 02, 2011
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (directory also included with source)

Aug 03, 2011
Detailed API documentation for the OpenMM library.

Aug 02, 2011
A guide for developers who want to add new features to OpenMM

Aug 02, 2011
Follow this link to see if your NVIDIA GPU is supported.

Aug 02, 2011
Follow this link to see if your AMD GPU is supported.

Aug 02, 2011
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM.


3.0

Mar 30, 2011

This is a major update to the OpenMM platform. New features include support for the AMOEBA force field, energy minimization, performance improvements, and much more.

Download Links

Apr 01, 2011
13 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 3.2, and on ATI GPUs with Mac OS X 10.6 or later.

Apr 01, 2011
10 MB
Linux
Application/binary
OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 3.2 and on ATI GPUs with Stream SDK 2.4.

Apr 01, 2011
10 MB
Linux
Application/binary
OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 3.2 and on ATI GPUs with Stream SDK 2.4.

Apr 01, 2011
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA GPUs with CUDA 3.2, and on ATI GPUs with Stream SDK 2.4.

Apr 01, 2011
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 3.2, and on ATI GPUs with Stream SDK 2.4.

Mar 31, 2011
19 MB
Any
Source code
Source code for OpenMM.

Apr 01, 2011
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 3.2 of the developer drivers and CUDA toolkit.

Apr 01, 2011
0
Any
Application/binary
Link to ATI Stream SDK. Version 2.4 or later is required to use ATI GPUs on Linux or Windows.

Documentation Links

May 20, 2011
A guide to installing and using OpenMM

Mar 31, 2011
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (directory also included with source)

Apr 06, 2011
Detailed API documentation for the OpenMM library.

Mar 30, 2011
A guide for developers who want to add new features to OpenMM

Mar 04, 2011
Follow this link to see if your NVIDIA GPU is supported.

Mar 30, 2011
Follow this link to see if your ATI GPU is supported.

Mar 04, 2009
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM.


2.0

Jun 24, 2010

This is a major update to the OpenMM platform. New features include pressure coupling, support for ATI GPUs, major performance increases, more custom force types, and much more.

Download Links

Jul 08, 2010
6 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 3.1, and on ATI GPUs with Mac OS X 10.6 or later.

Jul 08, 2010
6 MB
Linux
Application/binary
OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 3.1 and on ATI GPUs with Stream SDK 2.1.

Jul 08, 2010
6 MB
Linux
Application/binary
OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 3.1 and on ATI GPUs with Stream SDK 2.1.

Jul 08, 2010
6 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA GPUs with CUDA 3.1, and on ATI GPUs with Stream SDK 2.1.

Jul 08, 2010
6 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA 3.1, and on ATI GPUs with Stream SDK 2.1.

Jul 15, 2010
10 MB
Any
Source code
Source code for OpenMM.

Jun 29, 2010
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 3.1 of the developer drivers and CUDA toolkit.

Jun 24, 2010
0
Any
Application/binary
Link to ATI Streak SDK. Version 2.1 or later is required to use ATI GPUs on Linux or Windows.

Documentation Links

Jul 08, 2010
A guide to installing and using OpenMM

Jul 08, 2010
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (directory also included with source)

Jun 24, 2010
Detailed API documentation for the OpenMM library.

Mar 04, 2010
Follow this link to see if your NVIDIA GPU is supported.

Jun 24, 2010
Follow this link to see if your ATI GPU is supported.

Mar 04, 2010
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM.


1.0

Jan 20, 2010

This release adds several new features, including custom bond, angle, external, and GB forces. OpenCL support is greatly improved. As of this release, the API may be considered stable and the reference and CUDA platforms are suitable for production use.

Download Links

Pre-compiled binaries

Jan 20, 2010
4 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 2.3.

Jan 20, 2010
4 MB
Linux
Application/binary
OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.3. Does not include OpenCL support.

Jan 20, 2010
4 MB
Linux
Application/binary
OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.3. Does not include OpenCL support.

Jan 20, 2010
5 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA (with CUDA Toolkit 2.3). Does not include OpenCL support.

Jan 20, 2010
5 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA (with CUDA Toolkit 2.3). Does not include OpenCL support.

Source code

Jan 20, 2010
7 MB
Any
Source code
Source code for OpenMM, including preliminary support for OpenCL.

Required for GPU acceleration (see documentation)

Jan 15, 2010
0
Any
Other
Link to CUDA for NVIDIA GPUs. Need version 2.3 of the driver and toolkit (SDK code samples not required).

Documentation Links

Jan 20, 2010
A guide to installing and using OpenMM

Jan 19, 2010
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (directory also included with source)

Jan 15, 2010
Detailed API documentation for the OpenMM library.

Jan 15, 2010
Follow this link to see if your NVIDIA GPU is supported.

Workshop Material

Jan 15, 2010
Link to slides & videos from our molecular dynamics workshop series, including overview of example programs. See Downloads for Day 1-OpenMM


1.0 beta

Oct 30, 2009

This release adds Particle Mesh Ewald, arbitrary forms for nonbonded interactions, preliminary support for OpenCL (currently available only with the source code), and a variety of minor enhancements.

Download Links

Pre-compiled binaries

Oct 30, 2009
3 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 2.2. Does not include OpenCL support.

Oct 30, 2009
3 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.2. Does not include OpenCL support.

Oct 30, 2009
3 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.2. Does not include OpenCL support.

Oct 30, 2009
4 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA (with CUDA Toolkit 2.2). Does not include OpenCL support.

Oct 30, 2009
4 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA (with CUDA Toolkit 2.2). Does not include OpenCL support.

Source code

Oct 30, 2009
7 MB
Any
Source code
Source code for OpenMM, including preliminary support for OpenCL.

Required for GPU acceleration (see documentation)

Oct 30, 2009
0
Any
Other
Link to CUDA for NVIDIA GPUs. Need version 2.2 of the driver and toolkit (SDK code samples not required).

Documentation Links

Nov 04, 2009
Example code to verify OpenMM installation & show how to integrate C++/C/Fortran code with OpenMM (files also come with source code)

Nov 03, 2009
A guide to installing and using OpenMM

Oct 30, 2009
Detailed API documentation for the OpenMM library.

Oct 30, 2009
Link to slides, videos, etc. from the June '09 molecular dynamics workshop series. Day 1 was on OpenMM.

Oct 30, 2009
Follow this link to see if your NVIDIA GPU is supported.


Preview Release 4

Aug 20, 2009

This release adds support for energy computations on GPUs, Ewald summation, a complete set of C and Fortran wrappers, a faster algorithm for handling constraints and many minor enhancements, including the option to select a specific CUDA device to use and a default setting so that the CPU is available for other computations when information is requested of the GPU

Download Links

Pre-compiled binaries

Aug 20, 2009
4 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs with CUDA Toolkit 2.2.

Aug 20, 2009
4 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.2.

Aug 20, 2009
6 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs with CUDA Toolkit 2.2.

Aug 20, 2009
10 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA (with CUDA Toolkit 2.2) and ATI GPUs.

Aug 21, 2009
5 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs with CUDA Toolkit 2.2 (not ATI).

Source code

Aug 20, 2009
11 MB
Any
Source code
Source code for OpenMM.

Required for GPU acceleration (see documentation)

Aug 20, 2009
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 2.2 of the driver and toolkit (SDK code samples not required).

Aug 21, 2009
0
Any
Application/binary
Link to drivers for ATI products. Catalyst Software Suite 9.1 needed. Pay attention to supported OS and required SW!

Documentation Links

Aug 20, 2009
White paper describing the goals and principles behind the OpenMM API

Getting Started

Aug 28, 2009
Instructions for the pre-compiled OpenMM binaries and the example test programs to verify your OpenMM installation

Aug 28, 2009
Example code to verify OpenMM installation & to show how to integrate C++/C/Fortran code with OpenMM (these files come with the source code)

Working with OpenMM

Aug 20, 2009
Detailed descriptions of the force fields and algorithms used in OpenMM

Aug 20, 2009
Detailed API documentation for the OpenMM library

Aug 20, 2009
Link to slides, videos, etc. from the June '09 molecular dynamics workshop series. Day 1 was on OpenMM.

Find out if your GPU is supported

Aug 20, 2009
Follow this link to see if your NVDIA GPU is supported

Aug 20, 2009
Follow this link to see if your DESKTOP ATI GPU is supported

Aug 20, 2009
Follow this link to find out if your ATI Mobility Radeon card in your LAPTOP is supported


Preview Release 3

May 19, 2009

Support for explicit solvent on NVIDIA GPUs addedNotes

Download Links

Pre-compiled binaries

May 19, 2009
2 MB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs.

Jun 12, 2009
2 MB
Linux
Application/binary
Precompiled OpenMM libraries for 32 bit Linux. Supported on NVIDIA GPUs.

Jun 12, 2009
3 MB
Linux
Application/binary
Precompiled OpenMM libraries for 64 bit Linux. Supported on NVIDIA GPUs.

Jun 18, 2009
11 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 8. Supported on NVIDIA and ATI GPUs.

Jun 18, 2009
7 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows with Visual Studio 9. Supported on NVIDIA GPUs (not ATI).

Source code

May 19, 2009
3 MB
Any
Source code
Source code for OpenMM.

Examples

Jun 19, 2009
60 KB
Any
Source code
4 example programs showing how to integrate and use OpenMM calls. HelloArgon example useful as OpenMM installation test

Required for GPU acceleration (see documentation)

May 19, 2009
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 2.0 or later of the driver and toolkit (SDK code samples not required).

May 19, 2009
0
Windows
Application/binary
Link to drivers for ATI products. Catalyst Software Suite 9.1 needed. Pay attention to supported OS and required SW!

Documentation Links

May 19, 2009
White paper describing the goals and principles behind the OpenMM API

Working with OpenMM

Jun 19, 2009
Guide for installing OpenMM and running the example files to test installation

Jun 24, 2009
Doxygen documents describing the OpenMM classes

Jul 10, 2009
Energy functions as implemented within OpenMM

Jul 09, 2009
Link to slides, videos, etc. from the June '09 molecular dynamics workshop series. Day 1 was on OpenMM.

Find out if your GPU is supported

May 19, 2009
Follow this link to see if your NVDIA GPU is supported

May 19, 2009
Follow this link to see if your DESKTOP ATI GPU is supported

May 19, 2009
Follow this link to find out if your ATI Mobility Radeon card in your LAPTOP is supported


Preview Release 2

Jan 27, 2009

This release contains source code for Reference and GPU platforms, as well precompiled libraries for Mac, Windows, and Linux. See additional details here:Notes

Download Links

Pre-compiled binaries

Jan 26, 2009
268 KB
Mac OS X
Application/binary
Precompiled OpenMM libraries for Mac OS X. Supported on NVIDIA GPUs.

Feb 23, 2009
326 KB
Linux
Application/binary
Precompiled OpenMM libraries for Linux. Supported on NVIDIA GPUs.

Jan 26, 2009
4 MB
Windows
Application/binary
Precompiled OpenMM libraries for Windows. Supported on NVIDIA and ATI GPUs.

Source code & API documentation

Jan 27, 2009
2 MB
Any
Source code
Source code and API documentation for OpenMM.

Required for GPU acceleration (see documentation)

Feb 04, 2009
0
Any
Application/binary
Link to CUDA for NVIDIA GPUs. Need version 2.0 or later of the driver and toolkit (SDK code samples not required).

Feb 04, 2009
0
Other
Application/binary
Link to drivers for ATI products. Catalyst Software Suite 9.1 needed. Pay attention to supported OS and required SW!

Documentation Links

Jan 28, 2009
White paper describing the goals and principles behind the OpenMM API

Find out if your GPU is supported

Feb 05, 2009
Follow this link to see if your NVDIA GPU is supported

Feb 05, 2009
Follow this link to see if your DESKTOP ATI GPU is supported

Feb 05, 2009
Follow this link to find out if your ATI Mobility Radeon card in your LAPTOP is supported


Preview Release 1

Sep 03, 2008

http://simtk.org/home/openmm

Download Links

Sep 10, 2008
975 KB
Any
Source code
Source code and API documentation for OpenMM Preview Release 1. Feedback can be sent to openmm-team@simtk.org.

Documentation Links

Sep 10, 2008
Describes the goals and design principles for OpenMM.


OpenMM Accelerated TINKER
This project provides additions to the TINKER molecular modeling package so that it can use OpenMM to accelerate simulations.
TINKER 7.1.2
Apr 01, 2015

Tinker-OpenMM interface code compatible with TINKER 7.1.2 (also distributed with TINKER.)

Download Links

Apr 01, 2015
37 KB
Any
Source code

Previous Releases


TINKER-6.3.3_OpenMM-6.1_Alpha

Oct 04, 2014

Alpha release of TINKER 6.3.3 - OpenMM 6.1 interface, currently in testing.

Download Links

Oct 04, 2014
2 MB
Any
Application/binary
Code, example, and instructions.

Oct 04, 2014
1 MB
Any
Application/binary
Pre-built executable.


Tinker6.2.01_OpenMM5

Apr 10, 2013

This interface code will work with TINKER version 6.2.01 and OpenMM version 5.x . It may be adapted to future versions of TINKER by modifying the Makefile.

Download Links

Apr 10, 2013
56 KB
Any
Source code


TinkerV6_OpenMM4.0

Nov 30, 2011

TINKER v6 and OpenMM 4.0Notes

Download Links

Feb 24, 2012
56 KB
Any
Application/binary
TINKER 6.0 and OpenMM 4.0


1.1.2

Sep 20, 2011

Files for Tinker v5.1.09 and OpenMM 3.1.1, includes patch w/ several bug fixes for release 1.1.1.Notes

Download Links

Sep 21, 2011
51 KB
Any
Source code
Zip file w/ patches to dynamic_openmm.c


1.1

Aug 03, 2011

This release is for use with TINKER 5.1.09 and OpenMM 3.1.1

Download Links

Aug 17, 2011
50 KB
Any
Other
Files for Tinker v5.1.09 and OpenMM 3.1.1


1.0

Mar 31, 2011

Download Links

Mar 31, 2011
44 KB
Any
Source code
Source code for modifications to TINKER


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