Sample Stream Files

Here are some sample stream files that show our perturbation method. They are written to be carried out by CHARMM v2.3. Check them out to get an idea of how the simulations worked.

  • Perturbation Runs - these streams carried out the mutations between ions that provided us with the perturbation results for our paper.
  • Analysis Runs - these streams allowed us to carry out analysis of our data, some of the results from which is included in the paper, and some that is not.