# A new approach to the integration of rotational motion in systems with interacting rigid bodies

@article{Omelyan1999ANA, title={A new approach to the integration of rotational motion in systems with interacting rigid bodies}, author={Igor Omelyan}, journal={arXiv: Computational Physics}, year={1999} }

A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration, whereas orientational positions are expressed in terms of either principal axes or quaternions. As a result, the rigidness of molecules appears to be an integral of motion, despite the atom trajectories are evaluated approximately. The algorithm derived is…

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