$\Delta G_{\mathrm{hyd}}$	Hydration free energy
$\Delta G_{\mathrm{char}}$	Free energy difference of removing the charges of the solute
$\Delta G_{\mathrm{vdw}}$	Free energy difference of removing the Lennard–Jones interactions of the uncharged solute
BAR	Bennett’s acceptance ratio
CGenFF	CHARMM General Force Field
EL	Extended Lagrangian
HF	Hartree–Fock
MM	Molecular mechanics
MP2	second-order Møller–Plesset
MSD	Mean-signed deviation
NBB	Non-Boltzmann–Bennett
PBC	Periodic boundary conditions
QM	Quantum mechanics
R${}^2$	Pearson’s correlation coefficient squared
RMSD	Root mean squared deviation
SCF	Self-consistent field
SCOD	Self-consistent optimized Drude
SD	Standard deviation
SQM	Semi-empirical QM
TI	Thermodynamic integration