From NWChem
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| 3:36:28 PM PDT - Wed, Sep 12th 2012 |
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I assume you prepared "TIP3P.sgm" or "TIP3P.frg" with the segment definition for TIP3P water using the appropriate atom types. If you haven't, this would be easy to do starting from the available "spce.sgm".
Once you have that, using this model is enforced by putting in the prepare input deck to generate the topology file the directive:
"solvent model TIP3P"
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