swMATH ID: 8875
Software Authors: Lu, B.; Cheng, X.; Huang, J.; Mccammon, J. A.
Description: AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems. It is described an adaptive fast multipole Poisson-Boltzmann solver for computing the electrostatics in biomolecules. This solver combines the fast multipole method with the Krylov subspace methods, which are applied to solve a well-conditioned boundary integral equation of the linearized Poisson-Boltzmann equation. Numerical experiments show the efficiency of the method in the framework of relatively large molecules on current desktop computers.
Homepage: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2880819/
Keywords: Poisson-Boltzmann equation; boundary integral equation; node-patch method; Krylov subspace methods; fast multipole methods; diagonal translations; software tool { t AFMPB}
Related Software: MIBPB; APBS; TMSmesh; tabipb; PAFMPB; TABI; SDPBS; DelPhi; Apbsmem; FFTSVD; UHBD; DelPhi Web Server; SyFi; FEniCS; VCMM; SMPBS; SG; CHARMM; Gromacs; NAMD
Cited in: 14 Documents

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