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normal martini Parameters for Polyvinylpyrrolidone poymer

  • Stéfane
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7 years 9 months ago #5744 by Stéfane
martini Parameters for Polyvinylpyrrolidone poymer was created by Stéfane
Dear all,

I am looking for Martini parameters for PVP*? I have searched in literature without success.

* fr.wikipedia.org/wiki/Polyvinylpyrrolidone

Thank you

Stéfane

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7 years 9 months ago - 7 years 9 months ago #5745 by riccardo
Replied by riccardo on topic martini Parameters for Polyvinylpyrrolidone poymer
Hi Stéfane,

I had surveyed the literature for the available Martini polymer models not so long ago and indeed there are no parameters for PVP as far as I know. So, in case, you'll have to parametrize PVP yourself; probably the not-that-different polystyrene model can be a nice example to go through:

Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case
G Rossi et al., Soft Matter, 2011,7, 698-708
DOI: 10.1039/C0SM00481B
Last edit: 7 years 9 months ago by riccardo.

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7 years 9 months ago #5761 by Stéfane
Replied by Stéfane on topic martini Parameters for Polyvinylpyrrolidone poymer
Thank you I will try your suggestion.

S

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