timeseries

The list of energy-like quantities to plot vs timestep. These quantities are extracted from the NAMD log files and plotted against timestep. To combine traces onto a single plot, the list element itself can be a list. The default is to plot density, but you can specify any quantity in an ENERGY: output line or an XST file, including:

  • density (not included in ENERGY:, but computed)

  • a_x (cell size along x direction)

  • b_y (cell size along y direction)

  • c_z (cell size along z direction)

  • pressure

  • temperature

Example:

timeseries:
- density
- - a_x
  - b_y
  - c_z
- pressure
- temperature