|From:||Maurice de Koning <dekoning@...527...>|
|Date:||Sun, 15 Apr 2018 17:04:41 -0300|
|Just to clarify, what I’m trying to do is to express a given “global” vector (i.e., the COM angular velocity in the inertial frame of the simulation box described by its fixed x, y and z directions)|
in terms of the system of axes formed by the principal axes of the molecule. In other words, I’m just looking for a change of basis: going from the fixed simulation-box basis (centered at the COM)
to that formed by the principal axes of the molecule.