by first fitting to reproduce the thermodynamic properties of pure liquids of a range of small polar molecules and the solvation free enthalpies of amino acid analogs in cyclohexane, is an expansion and renumbering of 45A3. 53A6 - 53A5 taken and adjusted partial charges to reproduce hydration free enthalpies in water, recommended for simulations of biomolecules in explicit water. 45 45A3 - suitable to apply to lipid aggregates such as membranes and micelles, for mixed systems of aliphatics with or without water, for polymers, and other apolar systems that may interact with different biomolecules. 45A4 - 45A3 reparameterised to improve DNA representation. 43 43A1 43A2 See also GROMACS Ascalaph Designer Comparison of software for molecular mechanics modeling Comparison of force field implementations References External links C++ software Fortran software Molecular dynamics software Force fields