 | | | | Command | | Argument |
| Datatype | | Default | | Min | | Max | |
| | Format: | | EnergyUnit | |
kJ/mol | kcal/mol | |
STRING | | - |
| - |
| - | | |
| Python: |
| EnergyUnit(noname1) |
| | | Menu: | | Options > Energy unit | | | | Related: |
| Energy
, BindEnergy, SolvEnergy
| | | |
| Required: | |  | |
|
The EnergyUnit
command switches between kJ/mol and kcal/mol as the unit of all calculated energies. It is recommended to use the official SI unit kJ/mol, kcal/mol is supported for historical reasons.
Example 1:
EnergyUnit kJ/mol
Output all energies in units of kJ/mol.
Example 2:
EnergyUnit kcal/mol
Output all energies in units of kcal/mol.
| 
