AVERAGES

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

Subsections

• PRINT_AVERAGES
• RESTART_AVERAGES

Keywords

• SECTION_PARAMETERS

• ACQUISITION_START_TIME

• AVERAGE_COLVAR

Keyword descriptions

SECTION_PARAMETERS

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

Description: Controls the calculations of the averages. [Edit on GitHub]

ACQUISITION_START_TIME

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

Description: Setup up the simulation time when the acquisition process to compute averages is started. [Edit on GitHub]

AVERAGE_COLVAR

Type: logical
Default: F
Lone keyword: T
Usage: AVERAGE_COLVAR <LOGICAL>

Description: Switch for computing the averages of COLVARs. [Edit on GitHub]