IntermolecularInteractions ========================== At the end of a GROMACS topology, after the `[ molecules ]` block intermolecular interactions can be defined in the `[ intermolecular_interactions ]` section. Presently bonds, angles and dihedrals can be defined by global atom numbers, function type numbers and the required parameters for the function. See the GROMACS manual for details. .. autoclass:: gmxbatch.intermolecularinteractions.IntermolecularInteractions :members: