Synopsis

test.ManyBodyPHScan [-hV] [--epH=14.0] [--ns=2.0] [--spH=0.0]

Description

Run a pH Scan with ManyBody.

Options

--epH, --endpH=14.0

Upper end of the pH range to be evaluated.

-h, --help

Print command help and exit.

--ns, --nSteps=2.0

Number of steps for a given pH range.

--spH, --startpH=0.0

Lower end of the pH range to be evaluated.

-V, --version

Print the Force Field X version and exit.