normal Coarse-graining of Gold nanoparticle (Au NP)

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2 years 3 weeks ago #7262 by Imamul
Hi all,

I want to coarse-graining the gold nanoparticle (Au NP) from atomistic positions of gold atoms that has been made by using openMD. Could anyone please give me some suggestion in this regards so that I can map Au NP.

Regards
Imamul

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2 years 2 weeks ago #7272 by riccardo
Replied by riccardo on topic Coarse-graining of Gold nanoparticle (Au NP)
Hi Imamul,

Have you checked the references which I mention in the following post?

cgmartini.nl/index.php/component/kunena/...lation-tutorial#7160

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2 years 2 weeks ago - 2 years 2 weeks ago #7275 by Imamul
Hi Riccardo,
Thanks for your suggestion. Yes, I have read your post before. Lin has published 3 papers in this area. These papers is really helpful. But his AuNPs are attached with some alkanethiol chains with pure gold to make it hydrophobic or ionic.
Regards
Imamul
Last edit: 2 years 2 weeks ago by Imamul.

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2 years 2 weeks ago #7276 by riccardo
Replied by riccardo on topic Coarse-graining of Gold nanoparticle (Au NP)
Right. From what you say then in those studies the gold nanoparticle is actually masked by some other groups, thus effectively hiding the metal-organic interactions.

Well, as I say in that post, Martini wasn't devised in order to study metal - organic interactions; so you may be going down a road which has not been taken yet by anyone, and with which I surely have not direct (or even indirect) experience.

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