Test the command line parameter features. Compare derivatives of selected atoms to the numerical derivatives.
Tests fast shake with both solute and water.
Water dynamics shake test. Test the internal coordinte constraint and perturbation rinines. This is a test file which builds a butane molecule from 4 extended atoms and then runs a series of langevin dynamics tests. This is a test file which builds a butane molecule from 4 extended atoms and then runs a series of langevin dynamics tests. Test of rsolvent boundry potential with one potassium and 8 waters.