Attempt to associate benchmarks with readily available computational materials

[davidlmobley]

This is the computational analog of #2 -- one would like to make it easy to do new studies on existing benchmark systems for a variety of possible tests as detailed in the paper, including things like:

• Test a new method on systems studied with an existing forcefield and method
• Test a new forcefield
• Cross-compare simulation packages
• Test sampling methods

etc.

We need to plan how to facilitate this. We'll need to sort out how to make available computational materials - structures, input files, etc. Ultimately, we will likely even want a way to specify specific order parameters to analyze for convergence, etc. (e.g., something machine-handleable which can tell automated analysis to be sure to check sampling of Val103 in lysozyme L99A).