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. 2014 Nov 18;119(3):1184–1191. doi: 10.1021/jp506796r

Table 3. CHARMM Force Field Lennard-Jones Parameters (ϵ, rmin)29,30.

atom type description ϵ rmin/2
OG311 hydroxyl oxygen –0.1921 1.7650
OG2P1 =O in phosphate –0.1200 1.7000
OG2D1 carbonyl oxygen –0.1200 1.7000
OG2D2 carboxylate oxygen –0.1200 1.7000
HGP1 polar hydrogen –0.0460 0.2245