Software description

B. Zhang, J. DeBuhr, D. Niedzielski, S. Mayolo, B. Lu, T. Sterling. DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture submitted.
B. Zhang, B. Peng, J. Huang, N. P. Pitsianis, X. Sun, B. Lu. Parallel AFMPB Solver with Automatic Surface Meshing for Calculation of Molecular Solvation Free Energy. Comput. Phys. Commun. 190 (2015) 173
B. Lu, X. Cheng, J. Huang, J. A. McCammon. AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems. Comput. Phys. Commun. 181 (2010) 1150

B. Zhang, B. Lu, X. Cheng, J. Huang, N. P. Pitsianis, X. Sun, J. A. McCammon. Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver. Commun. Comput. Phys. 13 (2013) 107
B. Lu, X. Cheng, J. Huang, J. A. McCammon. An Adaptive Fast Multipole Boundary Element Method for Poisson-Boltzmann Electrostatics. J. Chem. Theory Comput. 5 (2009) 1692
B. Lu, X. Cheng, J. A. McCammon. New-Version-Fast-Multipole Method Accelerated Electrostatic Calculations in Biomolecular Systems. J. Comput. Phys. 226 (2007) 1348
B. Lu, J. A. McCammon. Improved Boundary Element Methods for Poisson-Boltzmann Electrostatic Potential and Force Calculations. J. Chem. Theory. Comput. 3 (2007) 1134
B. Lu, X. Cheng, J. Huang, J. A. McCammon. Order N Algorithm for Computation of Electrostatic Interactions in Biomolecular Systems. Proc. Natl. Acad. Sci. 103 (2006) 19314

DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver