APBS Plugin Version 1.3
APBS, making it easier to perform electrostatic calculations from within VMD.
- APBS 0.4 or above.
- To start and stop local jobs from the APBS plugin, an APBS executable must be installed.
- If APBS isn't installed locally, or the local host doesn't have enough memory or computational power to run jobs, the version included with VMD 1.8.5 and later can execute APBS on remote systems using the BioCoRE job submission system.
- The APBS plugin can also be used to create the input and pqr files necessary to run APBS manually on a different host.
Using the Plugin
Displaying APBS Output Files
- When using the APBS plugin to run the APBS job, a dialog will ask you if you want to load the output files into VMD, which will give you a simple view. More useful methods of display are described below.
- Coloring structures by potential