Polymers
Available Martini 2 polymer topologies are listed below according to their major category. In addition, you can use Martini_PolyPly to generate GROMACS .itp files of polymers from a monomer .itp-file and generate coordinates of polymer molecules from a complete topology file.
References to these works can be found in the headers of the corresponding .itp files.
Branched polymers
| Molecule | Coordinates | Topology | Mapping |
|---|---|---|---|
| Poly(amidoamine) dendimer (PAMAM) | martini_v2.0_PAMAM_G5.gro | [itp] | Not available |
Linear polymers
| Molecule | Coordinates | Topology | Mapping |
|---|---|---|---|
| Poly(ethylene glycol) (PEG) | martini_v2.0_PEO_27.gro | [itp] For polarizable water: [itp] |
Not available |
| Poly(styrene) (PS) | Single chain: martini_v2.0_PS_100.gro 100mer in Benzene martini_v2.0_PS_in_BENZ.gro |
[itp] | Not available |
| Poly(3-hexylthiophene-2,5-diyl) (P3HT) | martini_v2.0_P3HT_48.gro | [itp] | Not available |
| Poly (styrene sulfonate) (PSS) | martini_v2.2P_PSS_30.gro | [itp] | Not available |
| Poly(diallyl dimethyl ammonium) (PDADMA) | martini_v2.2P_PDADMA_30.gro | [itp] | Not available |
| Polypropylene (PP) | martini_v2.0_PP_100.gro | [itp] | Not available |
| Polyethylene (PE) | martini_v2.0_PE_80.gro | [itp] | Not available |
Others
A list of everything which does not really fit in any of the above.
| Molecule | Coordinates | Topology | Mapping |
|---|---|---|---|
| Poly(styrene)-b-poly(ethylene oxide) (PS-b-PEO) |
martini_v2.0_PSbPEO_10_23.gro | [itp] | Not available |
| PEGylated-DPPC (PEL-DPPC) | martini_v2.0_PEL_45.gro martini_v2.0_PEL_45_brush.gro martini_v2.0_PEL_45_mushroom.gro |
[itp] | Not available |
Collections
This is an legacy collection of the polymer related parameters. PEG and PEO, a PEGylated lipid, a G5 PAMAM dendrimer, polystyrene, and P3HT