Difference between revisions of "NWChem"
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Revision as of 18:53, 27 July 2007
NWChem is installed on the Brems cluster in /brems/nwchem. Here is an example of running the single-processor version of NWChem:
brems:~/nwchem_examples/ethane_qmmm$ nwchem-single ethane_qmmm.nw