MD simulations Set-up and Trajs for PtB self-assembly

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Citation information: Zheng, X.; Chan, M. H.-Y.; Chan, A. K.-W.; Cao, S.; Ng, M.; Sheong, F. K.; Li, C.; Goonetilleke, E. C.; Lam, W. W. Y.; Lau, T.-C.; Huang, X.; Yam, V. W.-W., Elucidation of the key role of Pt...Pt interactions in the directional self-assembly of platinum(II) complexes. Proceedings of the National Academy of Sciences 2022, 119 (12), e2116543119.

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