Using force-field grids for sampling translation/rotation
of partially rigid macromolecules
Abstract:
An algorithm is presented for the simulation of two partially flexible
macromolecules where the interaction between the flexible parts and
rigid parts are represented by energy grids associated with the rigid part
of each macromolecule.
The proposed algorithm avoids the transformation of the grid upon
molecular movement at the significantly less expense of transforming
the flexible part.