mg-dummy — APBS-PDB2PQR 1.6 documentation

# mg-dummy

Not a Poisson-Boltzmann calculation. Many calculations of surface and charge distribution properties which do not require solution of the PBE.

This type of calculation allows users to write out dielectric, ion-accessibility, and charge distribution, and other types of maps that depend solely on biomolecular geometry. Since these maps depend only on geometry, they can be written out without actually solving the PB equation.

ELEC mg-auto keywords:

- bcfl
- chgm
- dime
- gcent
- glen
- grid
- ion
- lpbe
- lrpbe
- mol
- npbe
- pdie
- sdens
- sdie
- srad
- srfm (elec)
- swin
- temp
- write