apbs1
Adaptive poisson boltzmann solver
Usage
apbs [options]
parameters-file
Overview
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-formatis 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
apbsversion.
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.
Releases
9 releases since Debian 5.0 (Lenny); the text changed 2 times.