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* [[Useful scripts]] for VASP
* [[Useful scripts]] for VASP
* Useful [[Scripts for Gaussian]]


* AWK script to get the [[energies]] of a Gaussian output.
* AWK script to get the [[energies]] of a Gaussian output.

Revision as of 11:59, 24 March 2010

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Programming languages

Useful scripts

Here you can add your preferred scripts

  • AWK script to get the energies of a Gaussian output.
  • AWK and cshell/bash scripts to move from a Macromodel conformational search to inputs for Gaussian. Macromodel_to_gaussian