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MARTINI parameters for water

MARTINI 1 & 2

epsilon = 5 kJ/mol = 1.19503 kcal/mol, sigma = 4.7 Ang

Reference: Coarse Grained Model for Semiquantitative Lipid Simulation, J. Phys. Chem. B 2004, 108, 750-760

Reference: The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations, J. Phys. Chem. B 2007, 111, 7812-7824

MARTINI 3

screwed up with multiple size particles.

MARTINI - E

epsilon = 1.380404 kcal/mol, sigma = 4.815407 Ang, gamma = 0.095097

Morse-D (Multi temperature optimized)

D0 = 1.686345 kcal/col, alpha = 0.625349 (1/Ang), r0 = 5.8106 Ang

Morse-E (Room temperature optimized)

D0 = 1.850222 kcal/col, alpha = 0.683513 (1/Ang), r0 = 5.78284 Ang

Morse-W4 (rcut = 1.6 nm, room T)

D0 = 0.81262 kcal/col, alpha = 0.7 (1/Ang), r0 = 6.29 Ang