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Coarse-graining of Gold nanoparticle (Au NP)
- Imamul
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6 years 10 months ago #7262
by Imamul
Coarse-graining of Gold nanoparticle (Au NP) was created 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
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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- riccardo
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6 years 10 months 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
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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- Imamul
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6 years 10 months ago - 6 years 10 months ago #7275
by Imamul
Replied by Imamul on topic Coarse-graining of Gold nanoparticle (Au NP)
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
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: 6 years 10 months ago by Imamul.
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- riccardo
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6 years 10 months 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.
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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