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

Types of ELEC calculations

Each ELEC statement must start with the type of calculation to be performed. The type is specified with the following syntax

ELEC [ [#ELEC block naming|name {id}] ]
{type}
{keywords...}

where {type} is one of the following keywords denoting different types of electrostatics calculations

mg-auto
Automatically-configured sequential focusing multigrid Poisson-Boltzmann calculations.
mg-para
Automatically-configured parallel focusing multigrid Poisson-Boltzmann calculations.
mg-manual
Manually-configured multigrid Poisson-Boltzmann calculations.
fe-manual
Manually-configured adaptive finite element Poisson-Boltzmann calculations.
mg-dummy
Calculations of surface and charge distribution properties which do not require solution of the PBE.

and {keywords...} are the calculation-specific keywords. As a general rule, all keywords in an APBS input file are required. This rule is broken in a few places with very rare keywords but should be observed for most typical calculations.

Each of these types of calculations, and their accompanying keywords, is described in more detail below.