#

Time Correlation Analysis

The dynamics time correlation statement computes different time
autocorrelation functions averaged over a set of
atoms for NCORS time steps. It is possible to select the
included atoms by definition of a shell around a reference point.
To specify the time step for the correlation function averaging,
one should
use the SKIP parameter in the trajectory statement.
If the number of selected atoms is exactly one, the long
time limit of the correlation function is shifted to zero.
The following correlation functions can be evaluated:
positional auto correlation function

mean square displacement correlation function

and velocity autocorrelation function

where .

**Subsections**

*Xplor-NIH 2024-09-13*