Molecule RDX at 0.0 0.0 0.0 ! Units BOHR #include ./RDX_5_with_RDX_1_multipoles_localframe.mom #include ./RDX_defined_multipole.axes End ! This will show the multipoles in the local frame as this is still ! the current axis system. This is not needed. I've placed this command ! here so that you can compare the multipoles before the rotation and after. Show RDX DATA ! Now we change the axis system to the global frame Edit RDX #include ./RDX_global.axes End ! Now show the site multipoles in the new frame Show RDX DATA ! And also show the multipoles referred to the molecular origin SHOW RDX MULTIPOLES Finish