added xqmmm to calcs
added xqmmm to calcs

12AngryMen/votca-scripts,JensWehner/votca-scripts,JensWehner/votca-scripts,JensWehner/votca-scripts,12AngryMen/votca-scripts,12AngryMen/votca-scripts,12AngryMen/votca-scripts,JensWehner/votca-scripts