mg-manual — APBS-PDB2PQR 1.6 documentation

# mg-manual

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.

ELEC mg-manual keywords:

- bcfl
- calcenergy
- calcforce
- chgm
- dime
- etol
- gcent
- glen
- grid
- ion
- lpbe
- lrpbe
- mol
- nlev
- npbe
- pdie
- sdens
- sdie
- srad
- srfm (elec)
- swin
- temp
- usemap
- write
- writemat