To investigate the effect of performing the threshold Monte Carlo simulation with different symmetry constraints, simulations were also performed with larger unit cells, containing four molecules in space group P 2 1 /c. Both known polymorphs can also be described with this symmetry. The resulting disconnectivity graph is shown in Fig. . The overall picture of a single funnel towards polymorphs A and B is maintained, but a notably lower energy transition is found between the known polymorphs, when the lid is 11.0 kJ mol -1 above A, 15.0 kJ mol -1 above B. As a result, the connection between A and B occurs at a lower energy than their connection to any other local minimum on the landscape. While both indigo simulations yield useful information on the structure of the crystal energy landscape, the results confirm our expectation that the symmetry constraints applied during sampling can have an important influence on the details of the connectivity graph.