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APBS

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 AT biochem DOT wustl DOT edu>.

This manual page was written by Daniel Leidert <daniel DOT leidert AT wgdd DOT de> for the Debian project (but may be used by others).

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