Calculate system temperature using velocities of specified atoms.

temperature [<name>] {frame | [<mask>] [ntc <#>]} [out <filename>]

[<name>] Data set name.
frame Do not calculate temperature; use existing frame temperature.
[<mask>] Atoms to calculate temperature for.
[ntc <#>] Value of SHAKE bond constraint: 1 – none, 2 – bonds to H, 3- all bonds (equivalent to SANDER/PMEMD).
[out <filename>] File to write values to.

Calculate temperature in frame based on velocity information. If ’frame’ is specified just use frame temperature (read in from e.g. REMD trajectory).