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phamdinhquochuy

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February 27, 2014
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February 28, 2014

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Everything posted by phamdinhquochuy

Molecular dynamics simulation

phamdinhquochuy replied to alpha2cen's topic in Modern and Theoretical Physics

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
- February 28, 2014
- 6 replies

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