Tools for creating the initial structure of functionalized nano particle with alkanethiol

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1

GROMACS version:
GROMACS modification: Yes/No

Hi everyone,

I’m going to simulate a functionalized gold nanoparticle with alkanethiol using GROMACS, but I’m not sure how to build the initial structure or where to start. Could you please help me find a tutorial, website, or any resource that can guide me through building the initial structure?

Thanks!

2

Try Nanomaterial Modeler in CHARMM-GUI. It has exactly what you want.

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