Paper Citing NAMD - Abstract
Nevidimov, A. V.
Molecular dynamics simulation of reverse micelles: Standing problems after 25 years of research
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 8:554-558, JUL 2014
The main problems of molecular dynamics simulation of reverse micelles are considered. The most important problem is that, in a simulation, a micelle can exist for an infinite time, while in a real chemical experiment, it exists for finite time or not formed at all. A criterion of rejection of such low-probable micelles for well-studied surface-active compounds has been proposed.
