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| NWCHEM(1) |
User Commands |
NWCHEM(1) |
NAME¶
nwchem - high-performance computational chemistry software
SYNOPSIS¶
nwchem input_file
DESCRIPTION¶
nwchem provides many methods for computing the properties of molecular
and periodic systems using standard quantum mechanical descriptions of the
electronic wavefunction or density. Its classical molecular dynamics
capabilities provide for the simulation of macromolecules and solutions,
including the computation of free energies using a variety of force fields.
These approaches may be combined to perform mixed quantum-mechanics and
molecular-mechanics simulations.
OPTIONS¶
There are no command line options to use.
AUTHORS¶
This manual page was written by Daniel Leidert
<daniel.leidert@wgdd.de> for the Debian GNU/Linux distribution but may
be used by others as well.
