Run a pH Scan with ManyBody.
test.ManyBodyPHScan(1) Manual Page
Name
test.ManyBodyPHScan - Run a pH Scan with ManyBody.
Synopsis
test.ManyBodyPHScan [-hV] [--epH=14.0] [--ns=2.0] [--spH=0.0]
Description
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.