CD and MD. What’s my problem with MD? 1.Its development has been manifestly unscientific 2.Its answers (numbers, trajectories, minima) are as unreliable.
Empirical energy function Summarizing some points about typical MM force field In principle, for a given new molecule, all force field parameters need.
Trapping of Hydroxyl Radical and Ozone at Salt Aerosol Surfaces: A Molecular Dynamics Study
