REC
T 298.15 K
P 1.00 atm
ρ 1.04 g·cm⁻³
N 6.022 × 10²³
STEP 42,178
UTC
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harmonic bonds harmonic angles opls dihedrals cvff impropers

TraPPE-UA

Free
Force Field Class 1 by Jungular

Transferable Potentials for Phase Equilibria — United Atom. Coarse-grained force field optimized for vapor-liquid equilibria of hydrocarbons.

Class 1
arithmetic mixing
1-4 LJ: 0
1-4 Coul: 0
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