Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation
2025 | journal article. A publication with affiliation to the University of Göttingen.
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Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation
Kohnke, B.; Briand, E.; Kutzner, C. & Grubmüller, H. (2025)
Journal of Chemical Theory and Computation, 21(4) pp. 1787-1804. DOI: https://doi.org/10.1021/acs.jctc.4c01319
