Paper Citing NAMD - Abstract
Banks, David C.; Huff, Israel J.
Halo Water: Ensemble Visualization Distinguishes Configurations Near Nanotubes
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 11:8-14, JAN 2014
We present a novel technique for displaying molecules with respect to a nearby surface. The technique reveals, for the first time, the subtle statistical difference in the 3-dimensional distribution of water's hydrogen atoms near charged nanotubes. The high isodensity surface of hydrogen ensembles varies from a cap shape to a halo (ring) shape as the charge varies from negative to positive.
