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phamdinhquochuy

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  1. phamdinhquochuy started following Molecular dynamics simulation
  2. phamdinhquochuy
    Hello I am using Gaussian to derive force field parameters (force constants) for a metal site, and gaussian out put file contains the Hessian matrix. Any one know a tools or a script to convert this Hessian matrix to force constants? Than you in advanced, And best regards, Pham
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