Overlay of 200 frames of an MD trajectory containing 216 water molecules in a cubic box. Shown are only the oxygen atoms. Each atom is assigned one unique color for all frames. Left: original trajectory Right: relabeled trajectory. The relabeling algorithm constrains each atom to a region near its reference position, leading to the clustering of colors in the right panel.
	To the g_permute software download page.
© 2012, Max Planck Institute for Biophysical Chemistry, Göttingen