Polymer Library¶
The list below is generated directly from
LIBRARY.md in the
repository root, so it always reflects the parameters currently shipped with polyply.
| Polymer name | Abbreviation | All-atom model(s) | Coarse-grained model(s) |
|---|---|---|---|
| Polyethylene oxide | PEO | gromos2016H66 | martini2 |
| oplsaaLigParGen | martini3 | ||
| Polystyrene | PS | gromos2016H66 | martini2 |
| martini3 (STYR) | |||
| Polystyrene-b-poly(ethylene oxide) | PS-PEO | martini3 | |
| Polymethyl acrylate | PMA | gromos2016H66 | martini3 (MAC) |
| Polymethyl methacrylate | PMMA | gromos2016H66 | martini3 |
| Polyethylene | PE | gromos2016H66 | martini3 |
| martini2 | |||
| Polypropylene | PP | gromos2016H66 | martini2 |
| Poly(3-hexylthiophene) | P3HT | gromos53A6 | martini2 |
| martini3 | |||
| Polyvinyl alcohol | PVA | gromos2016H66 | martini3 |
| Poly(2-hydroxyethyl acrylate) | HEA | gromos2016H66 | |
| Polyacrylamide | PAM | gromos2016H66 | |
| Poly(methacrylamide) | PMAM | gromos2016H66 | |
| Poly(diallyldimethylammonium) | PDADMA | martini2 | |
| Polystyrene sulfonate | PSS | martini2 | |
| martini3 | |||
| Poly(para-phenylene ethynylene) | PPE | martini3 | |
| Poly(TEMPO methacrylate) | PTMA | oplsaaLigParGen | martini3 |
| ibi_cgm3 | |||
| ibi_gbcg | |||
| poly(N-(methacryloxyethyl) phthalimide) | PMAP | oplsaaLigParGen | |
| poly(2,3-epoxy-propylphthalimide) | PEPP | oplsaaLigParGen | |
| poly(N-(vinylbenzyl) phthalimide) | PVBP | oplsaaLigParGen | |
| Cellulose | CEL | martini3 | |
| Dextran | DEX | martini3 | |
| DNA nucleobases | Dx, Tx5, Dx3 w/ x=T,G,A,C | parmbsc1 | martini2 |
| Aminoacids | 3 letter code | martini3IDP | |
| martini3-go | |||
| Polydimethylsiloxane | PDMS | martini3 | |
| Polylactide-co-glycolide | PLGA | martini2 |