CYANA Function: erms

From CYANA Wiki
Revision as of 14:44, 12 August 2009 by Admin (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

Synopsis

erms = real

Description

Real function that returns the standard deviation of the total energy, averaged over all timesteps of the most recently executed md command. The total energy is given by the sum of the potential energy (target function) and the kinetic energy.