We compared GaMD-dih, GaMD-dual and GaMD-dualwat sampling acceleration on the exploration of the relevant basins of the alanine dipeptide (e.g α r , α L and P II ). The alanine dipeptide is solvated in a cubic 20 Å water box. We used the many-body AMOEBABIO18 PFF. The system was minimized with a RMS of 1 kcal/mol and sampled within the NPT thermodynamic ensemble with the Bussi thermostat 52 and a MonteCarlo barostat at 300 K and 1 atmosphere. We used the Velocity Verlet integrator and a 1 fs time-step. Smooth Particle Mesh Ewald (SPME) algorithm was employed to compute non-covalent interactions with a real space cutoff equal to 7 Å and a Van der Waals cutoff set to 9 Å.