This release adds performance improvements, more accelerated sampling methods, PPC support, and more.  View License

This release adds new features to better support alchemical calculations, enhancements to file importers, improved performance, and more.  View License

New features in 7.2 include the Amber14 and CHARMM36 force fields, support for collective variables, a membrane builder, virtual sites that depend on more than three particles, tabulated functions in custom integrators, and more.  View License

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.  View License

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.  View License

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.  View License

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.  View License

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.  View License

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.  View License

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  View License

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.  View License

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  View License

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

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  View License

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  View License

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  View License

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  View License

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  View License

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  View License

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.  View License

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  View License

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.  View License

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.  View License

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.  View License

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.  View License

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.  View License

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   View License

Support for explicit solvent on NVIDIA GPUs addedNotes  View License

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

http://simtk.org/home/openmm  View License

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

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.   

TINKER v6 and OpenMM 4.0Notes  

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

This release is for use with TINKER 5.1.09 and OpenMM 3.1.1