Scripts: Difference between revisions
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* AWK script to get the [[energies]] of a Gaussian output. | * AWK script to get the [[energies]] of a Gaussian output. | ||
* AWK and SED scripts to move from a Macromodel conformational search to inputs for Gaussian. [[Macromodel_to_gaussian]] | |||
Revision as of 08:16, 30 September 2009
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Programming languages
Useful scripts
Here you can add your preferred scripts
- Useful scripts for VASP
- AWK script to get the energies of a Gaussian output.
- AWK and SED scripts to move from a Macromodel conformational search to inputs for Gaussian. Macromodel_to_gaussian