Test the command line parameter features. Compare derivatives of selected atoms to the numerical derivatives. Van Der Waals interactions only dihtest1.out Test of various energy routines for the Dihedral and Improper. Unrealistic setup for the butane to test the energy routines.
Tests fast shake with both solute and water.
Water dynamics shake test. Test the internal coordinte constraint and perturbation routines. Internal coordinate and coordinate manipulatin test case. 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.