Scripts: Difference between revisions
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* AWK and cshell/bash scripts to move from a Macromodel conformational search to inputs for Gaussian. [[Macromodel_to_gaussian]] | * AWK and cshell/bash scripts to move from a Macromodel conformational search to inputs for Gaussian. [[Macromodel_to_gaussian]] | ||
* | * Useful [[Scripts for NWChem]] | ||
Revision as of 11:48, 24 March 2010
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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 cshell/bash scripts to move from a Macromodel conformational search to inputs for Gaussian. Macromodel_to_gaussian
- Useful Scripts for NWChem