Forcefields

Forcefields

The minimiser can be run quickly from here (using the current method and associated settings from the minimiser window) and the total energy and forces of the current model calculated. A list of all loaded forcefields reflects the current default forcefield and allows selection of a new one.

Table 5.7. Forcefield Toolbar Icons

Minimise the energy of the current model
Calculate the total energy of the current model
Calculate the atomic forces in the current model
N/AThe combobox lists all currently loaded forcefields, and represents the default forcefield to use if no other has been assigned specifically to a model or pattern