Your work has been presented on avogadro.cc. Incremental sessions to wiggle and rattle the molecules for a better packing reminds me on the Shake-and-Bake approach in crystallography; e.g. by Miller et al. at University at Buffalo, NY. Perhaps the two approaches can benefit from each other, have a look.
Miller, R.; Gallo, S. M.; Khalak, H. G.; Weeks, C. M. SnB: Crystal Structure Determination via Shake-and-Bake. J Appl Crystallogr 1994, 27, 613–621. https://doi.org/10.1107/S0021889894000191 (author's copy on ResearchGate).
Your work has been presented on avogadro.cc. Incremental sessions to wiggle and rattle the molecules for a better packing reminds me on the Shake-and-Bake approach in crystallography; e.g. by Miller et al. at University at Buffalo, NY. Perhaps the two approaches can benefit from each other, have a look.
Miller, R.; Gallo, S. M.; Khalak, H. G.; Weeks, C. M. SnB: Crystal Structure Determination via Shake-and-Bake. J Appl Crystallogr 1994, 27, 613–621. https://doi.org/10.1107/S0021889894000191 (author's copy on ResearchGate).