General tools

The General Tools include programs and scripts to create input files, extract, analyse and visualise data from output files. They can be generally used as stand-alone programs.

Work in progress

  • PolChat – A polarisation-consistent charge-fitting tool
    PolChat is an ESP charge-fitting tool accounting for molecular polarisation through the induced-dipole model. The tool is available upon request: please send an email to benedetta.mennucci@unipi.it