NAME¶
abps - Adaptive Poisson Boltzmann Solver
SYNOPSIS¶
apbs [
options]
parameters-file
DESCRIPTION¶
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.err
CITATION¶
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).
