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Title: NWChem User Documentation
Author: NWChem Developer Consortium
Abstract: 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.
Section: Science/Chemistry
Format: PDF
Files: /usr/share/doc/nwchem/userpdf.pdf.gz
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