Transferable Potentials for Phase Equilibria
TraPPE uses fixed bondlengths, but the same parameters can be used with harmonic potentials if the corresponding force constants are taken from another force field such as Amber or CHARMM.
TraPPE uses fixed bondlengths, but the same parameters can be used with harmonic potentials if the corresponding force constants are taken from another force field such as Amber or CHARMM.