How to build a gold nanocluster computationally?

24 May 2024 0 3K Report

Hello all,

I want to computationally design design Au25 nanocluster with attached ligands. I have designed the icosahedron metal core using Open MD. Now I need to attach six -S-Au-S-Au-S- shells and then ligands. Could you please recommend any tool that I need to use at this time?

Thank you!

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