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apbs
Langue: en
Version: 331558 (ubuntu - 24/10/10)
Section: 1 (Commandes utilisateur)
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).
Contenus ©2006-2024 Benjamin Poulain
Design ©2006-2024 Maxime Vantorre