Finally, we demonstrate an application for the model on a large-scale DNA system in solution to show that the model can scale up to study system sizes that are too large for traditional ab initio calculations. We selected a DNA structure with a prominent A-tract sequence in its center (PDB code: 1akh) . Studies have shown that A-tract sequences have particularly narrow minor grooves that give rise to enhanced negative electrostatic potentials that can be targeted by binding agents . Furthermore, solvent molecules can form a hydration spine along the minor groove that is crucial for non-contact base recognition of sequence-specific binding agents .