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APBS‎ > ‎User guide‎ > ‎Running APBS‎ > ‎Input files‎ > ‎ELEC input file section‎ > ‎ELEC keywords‎ > ‎

smpbe

Specifies that the size-modified PBE should be solved as described by Chu V, et al Biophys J, 93(9):3202-9, 2007 (doi:10.1529/biophysj.106.099168). The syntax is

   smpbe vol { spacing } size { num }

The parameter spacing is a floating point number in Ångstroms used specify the lattice spacing such that each lattice site has a volume equal to spacing3. The parameter num controls the relative size of the ions (in Ångstroms) such that each lattice site can contain a single ion of volume spacing3 or num ions of volume spacing3/size.

See also: lpbe, npbe, lrpbe, nrpbe