&ATOMS $\ldots$ &END

This section also contains information on the pseudopotentials to be used. See section 7.5.1 for more details on this.

ATOMIC CHARGES

CHANGE BONDS

CONFINEMENT POTENTIAL

CONSTRAINTS ... END CONSTRAINTS

METADYNAMICS ... END METADYNAMICS

DUMMY ATOMS

GENERATE COORDINATES

ISOTOPE

MOVIE TYPE

VELOCITIES ... END VELOCITIES