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: logical = T

Lone keyword: T

Usage: &AVERAGES T

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

ACQUISITION_START_TIME: real = 0.00000000E+000 [fs]

Usage: ACQUISITION_START_TIME

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

AVERAGE_COLVAR: logical = F

Lone keyword: T

Usage: AVERAGE_COLVAR

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