mg-manual¶
Note
This command has been ported to the new APBS syntax (see YAML- and JSON-format input files); see Manual and FiniteDifference.boundary_condition().
Manually-configured finite differnece multigrid Poisson-Boltzmann calculations.
This is a standard single-point multigrid PBE calculation without focusing or additional refinement.
The mg-manual calculation offers the most control of parameters to the user.
Several of these calculations can be strung together to perform focusing calculations by judicious choice of the bcfl flag; however, the setup of the focusing is not automated as it is in mg-auto and mg-para calculations and therefore this command should primarily be used by more experienced users.