The Grossfield lab distributes two software packages for analysing molecular simulation data:

  • WHAM : Weighted Histogram Analysis Method for analyzing umbrella sampling simulation data
  •  LOOS: Lightweight Object-Oriented Analysis library, a library for creating new analysis tools

If you want to use the OMG within LOOS to build membranes, you’ll need to download a lipid library

We’ve also documented how best to run Go model simulations using SMOG in OpenMM.