Here, we test several methods, including our new NCMC rotational method, on a T4 lysozyme cavity mutant which binds simple ligands. The T4 lysozyme L99A cavity mutant studied here has a buried binding site which readily binds non-polar molecules, making it a common model system for free energy calculations. Toluene, a T4 lysozyme L99A binder, was chosen as the initial ligand for testing this method for a number of reasons. One is that toluene's symmetry allows for a convenient check of correctness; symmetric binding modes should have equivalent populations with adequate sampling. Also, the different potential binding modes for toluene differ primarily based on rigid body rotation of the ligand in the binding site, so rotational moves should increase sampling of the relevant binding mode(s). In addition, previous conventional MD simulations we ran of toluene bound to T4 lysozyme suggest two distinct stable binding modes are present. Adequate sampling of even these two simple binding modes poses significant challenges for conventional MD. After testing our NCMC rotational method on toluene, we also explored its capacities on 3iodotoluene, a more bulky ligand. 3-iodotoluene does not have the same symmetry as toluene, meaning that we cannot take advantage of symmetry as a convenient check for convergence of populations. However, it is still valuable as a test for efficiency on bulkier molecules.