Set :: EnergyUnits

Set :: EnergyUnits

This command sets the energy units that all output energies will be given in. By default units will be set to Boltzmann units which is defined such that 1BU/kb = 1K where kb is the Boltzmann constant and K is in unit Kevlin.

Format:

  set EnergyUnits (type of unit)

Example:

  set EnergyUnits ev
  set EnergyUnits kj-mol
  set EnergyUnits kb

Supported Unit Types:

• kb (Default)
• ev
• j-mol
• kj-mol
• cal-mol
• kcal-mol