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

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Description: This project contains the MD simulations trajs and set-up files going with the manuscript titled "Elucidation of the key role of Pt...Pt interactions in the directional self-assembly of platinum(II) complexes". If you are using any files from this project, please kindly refer to the following link for citation: https://www.pnas.org/doi/abs/10.1073/pnas.2116543119

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