NAME¶
xtp_qmmm2qm - 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