1 research outputs found
Using Force-Field Grids for Sampling Translation/Rotation of Partially Rigid Macromolecules
An algorithm is presented for the simulation of two partially flexible macromolecules where the interaction between the flexible parts and rigid parts is 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 expense of the significantly lesser effect of transforming the flexible part