APBS(1) | User Commands | APBS(1) |
NAME¶
abps - Adaptive Poisson Boltzmann SolverSYNOPSIS¶
apbs [options] parameters-fileDESCRIPTION¶
The apbs command calculates electrostatic potentials, energies, and forces using both multigrid and finite element methods.OPTIONS¶
At the moment, the following options are supported:- --output-file=<name>
- Enables output logging to the path listed in <name>. Uses flat-file format if --output-format is not used.
- --output-format=<type>
- Specifies format for logging. Options for <type> are either "xml" or "flat".
- --help
- Display this help information.
- --version
- Display the current apbs version.
EXAMPLES¶
apbs apbs.in > apbs.out 2> apbs.errCITATION¶
Please cite APBS as follows:Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA.
Electrostatics of nanosystems: application to microtubules and the ribosome.
Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001.
SEE ALSO¶
For more information read the user guide and/or the tutorial found online at http://apbs.wustl.edu/.AUTHORS¶
apbs was written by Nathan A. Baker <baker@biochem.wustl.edu>.This manual page was written by Daniel Leidert <daniel.leidert@wgdd.de> for the Debian project (but may be used by others).
July 2009 | apbs |