5-bead vs 4-bead models

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kevinboyd
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4 years 11 months ago #8120 by kevinboyd

5-bead vs 4-bead models was created by kevinboyd

Hi,

Is there a publication/reference for when oleoyl chain parameters moved from the 5 bead CCDCC model to the 4 bead CDCC model? It looks as if the Martini 2.0 paper uses the 5 bead model.

Thanks,

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bart
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4 years 11 months ago #8122 by bart

Replied by bart on topic 5-bead vs 4-bead models

Inside the ITP for the 4 bead model you can see that it came with this paper. In the results you can see a quick overview and there the palmitoyl tail is made by CCCC. In the supplementary materials you can find more information on properties other than the area per lipid.

T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209

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kevinboyd
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4 years 11 months ago #8125 by kevinboyd

Replied by kevinboyd on topic 5-bead vs 4-bead models

OK thanks!

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