Paper Citing NAMD - Abstract
Zhu, F.Q.; Tajkhorshid, E.; Schulten, K.
Collective diffusion model for water permeation through microscopic channels
PHYSICAL REVIEW LETTERS, 93 Art. No. 224501, NOV 26 2004
Water permeation through nanometric channels, generally a coupled many-body process, is described in this study by a single collective coordinate. A collective diffusion model is proposed in which water movement at equilibrium is characterized as an unbiased diffusion along this coordinate and water transport in the presence of a chemical potential difference is described as one-dimensional diffusion in a linear potential. The model allows one to determine the osmotic permeability of a water channel from equilibrium simulations.
DOI:10.1103/PhysRevLett.93.224501
