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.

PolChat - A polarisation-consistent charge-fitting tool

  • What is PolChat
    PolChat is an ESP charge-fitting tool accounting for molecular polarisation through the induced-dipole model.
  • Theory, implementation and usage:  PolChat v.4.1.2
  • Obtaining PolChat
    The tool is available upon request: please send an email to benedetta.mennucci@unipi.it
  • How to cite PolChat
    Please cite it as:

    PolChat: A polarisation-consistent charge fitting tool.
    S. Caprasecca, C. Curutchet & B. Mennucci. ver.4.1.2
    Molecolab Tools. 2014-2018 molecolab.dcci.unipi.it/tools