OpenMM is an open-source library that enables molecular dynamics (MD) simulations to be accelerated on high performance computer architectures, such as GPUs. This latest release adds support for:
- A complete set of C and Fortran wrappers
- Energy computations on GPUs
- Ewald summation
- A faster algorithm for handling constraints
- And more!
Download the latest version of OpenMM from http://simtk.org/home/openmm.