view article
Figure 3
The potential energy (correlated integrated intensities [\chi ^2]) and total energy (kinetic energy plus potential energy) evaluated over a single MD trajectory during the crystal-structure solution of capsaicin. The initial total energy is shown as a dotted line in order to highlight the total energy fluctuations arising from the finite MD step size.

Journal logoFOUNDATIONS
ADVANCES
ISSN: 2053-2733
Volume 64| Part 1| January 2008| Pages 52-64
https://doi.org/10.1107/S0108767307064252
Follow Acta Cryst. A
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS