The OpenMM team has reviewed the links on this page. We also encourage the community to add their own contribution.

OpenMM Script Builder A web application to generate scripts for running OpenMM simulations. Includes pull-down menus, pop-up tips, error checking, and live script building capabilities.

PME Optimizer A script to optimize the performance of PME. It runs a series of simulations and selects the parameters that give best performance for simulating a particular system on particular hardware.

OpenMM-MD A general purpose script (with lots of comments) that uses the OpenMM Python module to drive MD simulations. Simulation options are handled via an input file. To facilitate use of the script, the available options are always printed out for you to see, along with documentation.

Multiple time step integrator An implementation of the rRESPA multiple time stepping algorithm. This allows different forces to be evaluated at different frequencies so that quickly changing, inexpensive forces are computed more often than slowly changing, expensive ones.

aMD integrators A set of integrators for performing aMD, an accelerated sampling method that modifies the energy surface to increase the rate of transitions.