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xtp_qmmm2qm - Man Page

Part of the VOTCA package

Synopsis

xtp_qmmm2qm [Options]

xtp_qmmm2qm [--help]

Description

Convert QMMM orb file into a DFTGWBSE-like orb file usable by gencube,densityanalysis,...

Options

options:

 -h, --help                  show this help message and exit
 -f FILE, --file FILE        Input File (String)
 -r REGION, --region REGION  QMMM region number (Index)
 -v, --verbosity             Verbose mode

Authors

Written and maintained by the VOTCA Development Team <devs@votca.org>

Info

xtp_qmmm2qm User Manual VOTCA Development Team