Interactive mode

In “interactive mode” users can enter commands in a UNIX-like shell.

Interactive mode is useful for running short and simple analyses or for trying out new kinds of analyses. If cpptraj is run with ’–interactive’, no arguments, or no specified input file:

 cpptraj --interactive
 cpptraj <parm file>
 cpptraj -p <parm file>

this brings up the interactive interface. This interface supports command history (via the up and down arrows) and tab completion for commands and file names. If no log file name has been given (with ’–log <logfile>’), all commands used in interactive mode will be logged to a file named ’cpptraj.log’, which can subsequently be used as input if desired.

Command histories will be read from any existing logs.