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Update citation of Martini 3 PTMA model #348

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Oct 18, 2023
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Update citation of Martini 3 PTMA model #348

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3ba0c5c
Small fix to LIBRARY.md that got undone at some point
ricalessandri Oct 17, 2023
e6ccf74
Update citation for PTMA.martini3.ff
ricalessandri Oct 17, 2023
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2 changes: 1 addition & 1 deletion LIBRARY.md
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Expand Up @@ -21,7 +21,7 @@
|Polystyrene sulfonate |PSS | |[martini2](polyply/data/martini2/PSS.martini.2.itp) |
| | | |[martini3](polyply/data/martini3/PSS.martini3.ff) |
|Poly(para-phenylene ethynylene)|PPE | |[martini3](polyply/data/martini3/PPE.martini3.ff) |
|Poly(TEMPO methacrylate) |PTMA |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PTMA.oplsaa.LigParGen.ff)]|[martini3](polyply/data/martini3/PTMA.martini3.ff) |
|Poly(TEMPO methacrylate) |PTMA |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PTMA.oplsaa.LigParGen.ff)|[martini3](polyply/data/martini3/PTMA.martini3.ff) |
| | | |[ibi_cgm3](polyply/data/ibi_cmg3/PTMA.cgm3.ibi.ff) |
| | | |[ibi_gbcg](polyply/data/ibi_gbcg/PTMA.gbno2.ibi.ff) |
|Dextran |DEX | |[martini3](polyply/data/martini3/dextran.martini3.ff) |
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2 changes: 1 addition & 1 deletion polyply/data/martini3/PTMA.martini3.ff
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Expand Up @@ -55,6 +55,6 @@ resname "PTMA"
EST VNL +VNL 2 70 20

[ citation ]
2022RAlessandri-arXiv
2023RAlessandri-Macromolecules
Martini3
polyply
18 changes: 10 additions & 8 deletions polyply/data/martini3/citations.bib
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Expand Up @@ -31,14 +31,16 @@ @article{PPEs
publisher={The Royal Society of Chemistry},
url={http://dx.doi.org/10.1039/D1CP04237H},
}
@article{2022RAlessandri-arXiv,
title={Predicting Electronic Properties of Radical-Containing Polymers at Coarse-Grained Resolutions},
author={Alessandri, Riccardo and de Pablo, Juan J.},
journal={arXiv},
year={2022},
eprint={2209.02072},
primaryClass={cond-mat.soft},
doi={https://doi.org/10.48550/arXiv.2209.02072}}
@article{2023RAlessandri-Macromolecules,
title={Prediction of Electronic Properties of Radical-Containing Polymers at Coarse-Grained Resolutions},
author={Alessandri, Riccardo and de Pablo, Juan J},
journal={Macromolecules},
volume={56},
number={10},
pages={3574-3584},
doi={10.1021/acs.macromol.3c00141},
year={2023}
}
@article{M3_sugars,
title={Martini 3 Coarse-Grained Force Field for Carbohydrates},
author={Fabian, Grünewald and Mats H., Punt and Elizabeth E., Jefferys and Petteri A., Vainikka and Melanie, König and Valtteri, Virtanen and Travis A., Meyer and Weria, Pezeshkian and Adam J., Gormley and Maarit, Karonen and Mark S. P., Sansom and Paulo C. T, Souza and Siewert J., Marrink},
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