Scripts

go back to Main Page, Computational Resources

Programming languages

• Scripting in AWK

• Scripting in Perl

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