Scripts

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Programming languages

• Scripting in AWK

• Scripting in Perl

Useful scripts

Here you can add your preferred scripts

• Useful scripts for VASP

• Useful Scripts for Gaussian

• 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