Working with FlexMD
*******************

It is recommended to read the sections Introduction and Molecular
Dynamics before working with FlexMD. A basic understanding of the
Python Programming Language is also required. The Python website hosts
documentation and a tutorial that can be used to learn Python.

The performance of the FlexMD package is difficult to predict because
it depends on system size, the type of ForceJobs used, and how these
ForceJobs are combined. It is advised to first test the overhead of
the FlexMD package for your system before running large simulations.
When ab initio forces are involved, the overhead should not give a
significant performance penalty. However, it may become a bottleneck
when your system only uses cheap force fields.

* Creating a molecule object

* Creating a ForceJob

* Creating and running the MD job
