AVERAGES

Controls the calculation of the averages during an MD run. [Edit on GitHub]

Subsections

Keywords

SECTION_PARAMETERS

Type: logical
Default: T
Lone keyword: T
Usage: &AVERAGES T

Description: Controls the calculations of the averages.

ACQUISITION_START_TIME

Type: real
Default: 0.00000000E+000 [fs]
Usage: ACQUISITION_START_TIME

Description: Setup up the simulation time when the acquisition process to compute averages is started.

AVERAGE_COLVAR

Type: logical
Default: F
Lone keyword: T
Usage: AVERAGE_COLVAR

Description: Switch for computing the averages of COLVARs.