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19.4 Dynamical Table Properties

The data contained in the averages data structures is placed into a table using the BUILD command, see Building Tables. There are a large number of dynamic properties available for table construction.

Prior to using any of the dynamic properties, one must be ensure the correct data structures have been created within the analysis facility. In order to get dynamical information about internal coordinates, an ICAV must have been built. If such information is to be compared, the ICAV's for both main and comparison data structures must have been created. For positional dynamical properties of atoms, one requires a PAX data structure. Likewise, for velocity dynamical properties, one requires a PAV data structure. Note that both positional and velocity properties of atoms may be mixed in the same table. If one fails to ensure that the correct data structures have been created, the BUILD command will print an error message and not build the table.