Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications. - Eliane Briand; Bartosz Kohnke; Carsten Kutzner; Helmut Grubmüller (CoRR, 2024)

Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. - Bartosz Kohnke; Eliane Briand; Carsten Kutzner; Helmut Grubmüller (CoRR, 2024)