Paper

To provide people with the ability to reproduce our results, we have setup this page with instructions and links on how to get our tests and scripts, as well as how to execute everything.

Requirements

To verify our results, you will need to download the versions of our code that we used to execute the tests which are as follows:

• ProtoMol
• LTMDOpenMM

Setup

Once you have all of the software and scripts downloaded, you will need to build both of the tools. The instructions for building LTMD OpenMM are on the compilation page.

System

The benchmarks we ran were executed on the following system configuration:

Benchmarks

Validation

Some validation can be found on the Analysis page.