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

OpenFF Sage 2.3.0

Free
Force Field Class 1 by Jungular

Modern SMIRNOFF force field from the Open Force Field Initiative. Uses AM1-BCC charges, Fourier dihedrals, and Lorentz-Berthelot combining rules.

Class 1
Lorentz-Berthelot mixing
1-4 LJ: 0.5
1-4 Coul: 0.833333
1 downloads