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I. Force field files (ff) (Updated May, 20 2017) a)  Surfactants AOT and isooctane  o in the ORAC format (compatible with the CHARMM27 ff) (file) o In the GROMACS format (compatible with the CHARMM27 ff) (file) Dodecyl-b-maltoside  (bDM) o In the ORAC format (compatible with CHARMM) (file) o In the GROMACS format (compatibles with CHARMM (file) and GLYCAM06 (file) ffs)  Dodecyl phosphocholine (DPC)   o In the GROMACS format (compatibles with AMBER99SB (file), CHARMM36 (file),   GROMOS53A6 (file), GROMOS_Berger (file) and GROMOS54A7 (file) ff) Protoned Sophorolipid bolaform (18:1)  (SAD)   o In the GROMACS format (compatibles with GROMOS53A6 ff (file)) Lauryldimethylamine oxide (LDAO)   o In the GROMACS format (compatibles with Ambe99SB (file) and Lipid14 ff (file)) b)  phosholipids 1-Palmitoyl-2-oleoylphosphatidylcholine (POPC) o In the GROMACS format (compatibles with Lipid14 ff (file) c)  Other n-Octane o In the GROMACS format (compatibles with AMBER99SB (file) ff) n-Dodecane o In the GROMACS format (compatibles with AMBER99SB (file) and CHARMM36 (file) ff) n-Tridecane o In the GROMACS format (compatibles with AMBER99SB (file) and CHARMM36 (file) ff)
II. Atomic coordinates (PDB files) (Updated May, 20 2017) a)  Surfactants Equilibrated AOT reverse micelle (Wo = 5, 10 and 15) in isooctane at T=300K and P = 0.1 MPa         (file) (New !!) Equilibrated alpha and beta bDM micelles in TIP3P water at 297K and 0.1 MPa (file) Equilibrated DPC micelle in TIP3 water (15176 water) at T=300 K and P=0.1 MPa with : o AMBER99SB (file) o CHARMM36 (file) o GROMOS54A7 (file) o GROMOS53A6 (file) Equilibrated LDAO micelle with 104 surfactants at 300 K and P=0.1 MPa o Lipid14 (file) Equilibrated protoned sophorolipid (18:1)  micelles with 28, 37, 56, 68 and 80 surfactants         in SPC water at T=303 K and P=0.1 MPa o GROMOS53A6 (file) Equilibrated DOPC reverse micelle  in benzene (W0=1, 2, 4,  8, 12 and 16)  with 15, 17, 22,         34, 69 et 87 surfactants with SPCE water at T=303 K and P=0.1 MPa      CHARMM36 (file) b)  Phospholipid membranes 1-Palmitoyl-2-oleoylphosphatidylcholine (POPC) 64 lipid/leaflet,  T= 303K, Area = 64.7 A2                Dickson et al. (lipid14’s paper = 65.6 A2 (anisotropic NPT) with 0.15 KCL) o Lipid14 (file) 1,2-dioleoyl-sn-phosphatidylcholine (DOPC) 64 lipid/leaflet,  T= 303K, Area = 66.0 A2                exp paper = 67-72.5 A2 (anisotropic NPT)   o CHARMM36 (file) c)  Other Equilibrated n-Octane box (216 mol.) at T=300 K and P=0.1 MPa          (sim. density = 0.678 g.cm-3,  exp. = 0.696 g.cm-3) o AMBER99SB (file) Equilibrated n-Dodecane box (216 mol.) at T=300 K and P=0.1 MPa         (sim. density = 0.739 g.cm-3,  exp. = 0.744 g.cm-3) with o AMBER99SB (file) o CHARMM36 (file) Equilibrated n-Tridecane box (216 mol.) at T=300 K and P=0.1 MPa         (sim. density = 0.748 g.cm-3,  exp. = 0.750 g.cm-3) with o AMBER99SB (file) o CHARMM36 (file)
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