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How to import optimized geometry from GAMESS?

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1 comment

  • Official comment
    Raja RNA

    You need to perform the following steps.


    1. Minimize Energy through MM2
    2. Minimize (Energy/Geometry) through GAMESS (GAMESS Interface submenu)
    3. Optimize to Transition State (GAMESS Interface submenu)
    4. Predict IR/RAMAN Spectrum or any other GAMESS calculation/prediction

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