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Force Fields in the GROMACS format. UPDATE (07/04/2022): Archives with itp files for MD with hydrogen mass repartionning (HMR) are provided (*). Please, cite all the references listed in the README file in each archive. a) Surfactants - Sulfosuccinic acid bis(2-ethylhexyl) ester Sodium salt (AOT) ( CHARMM27 )* - Dodecyl-b-Maltoside (DDM) ( CHARMM36 )* ( GLTCAM06 )* -Dodecyl phosphocholine (DPC) ( AMBER9SB )* ( CHARMM36 )* ( GROMOS53A6 ) ( GROMOS54A7 ) ( GROMOS_Berger ) - Dodecyldimethylamine oxide (LDAO) ( Lipid14/AMBER )* - Acidic and charged sophorolipid (18:1) ( GROMOS53A6 ) (CHARMM36) - Beta Octyl glucoside (BOG) ( CHARMM36 )* ( AMBER/GLYCAM06 )* - Lauryl dodecyl sulfate (SDS) ( CHARMM36 )* - Polyethylene glycol tert-octylphenyl ether (TX100) (here, n=9) ( CHARMM36 )* b) Phospholipids - 1-Palmitoyl-2-oleoylphosphatidylcholine 16:0-18:1 PC (POPC) ( Lipid14/AMBER )* ( CHARMM36 )* - 1,2-dioleoyl-sn-glycero-3-phosphocholine 18:1 (Δ9-Cis) PC (DOPC) ( CHARMM36 )* c) Miscellaneous molecules - Polycyclic aromatic hydrocarbons (PAH) ( CGenFF/CHARMM36 )* 2) Atomic coordinates in PDB format a) Surfactant micelles and reverse micelles - Equilibrated AOT reverse micelle (W0 = 5, 10 and 15) in isooctane at T=300K and P = 1.015 bar ( file ) - Equilibrated DOPC reverse micelle in benzene (W0=1, 2, 4, 8, 12 and 16) with 15, 17, 22, 34, 69 et 87 surfactants and the SPCE water at T=303 K and P = 1.015 bar ( CHARMM36 ) - Equilibrated alpha and beta DDM micelles in TIP3P water at T=298K and P = 1.015 bar (file ) - Equilibrated DPC micelle in TIP3P water (15176 water) at T=300 K and P= 1.015 bar with : - AMBER99SB ( file ) - CHARMM36 ( file ) - GROMOS54A7 ( file ) - GROMOS53-A6 Berger ( file ) - Equilibrated LDAO micelle with 104 surfactants and 31989 TIP3P water at 298 K and P=1.015 bar ( AMBER/Lipid14 ) - Equilibrated protoned sophorolipid (18:1) micelles with 28, 37, 56, 68 and 80 surfactants in SPC water at T=303 K and P=1.015 bar ( GROMOS53A6 ) c) Phospholipid membranes - 1-Palmitoyl-2-oleoylphosphatidylcholine (POPC) 64 lipids/leaflet, T=303K et 1.015 bar, APL=63.2 A2 Dickson et al. lipid14 paper APL=65.6 A2 (semiisotropic NPT) with 0.15 KCL) ( AMBER/lipid14 ) - 1,2-dioleoyl-sn-phosphatidylcholine (DOPC) 64 lipids/leaflet, T= 303K et 1.015 bar, APL = 66.0 A2 exp APL = 67 - 72.5 A2 (anisotropic NPT) ( CHARMM36 )