positional arguments:¶

<prmtop>

Topology file to analyze.

<script>

File with a series of ParmEd commands to execute.

options:¶

-h, --help

show this help message and exit

-v, --version

show program's version number and exit

Input Files:¶

-i FILE, --input FILE

Script with ParmEd commands to execute. Default reads from stdin. Can be specified multiple times to process multiple input files.

-p <prmtop>, --parm <prmtop>

List of topology files to load into ParmEd. Can be specified multiple times to process multiple topologies.

-c <inpcrd>, --inpcrd <inpcrd>

List of inpcrd files to load into ParmEd. They are paired with the topology files in the same order that each set of files is specified on the command-line.

Output Files:¶

-O, --overwrite

Allow ParmEd to overwrite existing files.

-l FILE, --logfile FILE

Log file with every command executed during an interactive ParmEd session. Default is parmed.log

Interpreter Options:¶

These options affect how the ParmEd interpreter behaves in certain cases.

--prompt PROMPT

String to use as a command prompt.

-n, --no-splash

Prevent printing the greeting logo.

-e, --enable-interpreter

Allow arbitrary single Python commands or blocks of Python code to be run. By default Python commands will not be run as a safeguard for your system. Make sure you trust the source of the ParmEd command before turning this option on.

Error Handling:¶

These options control how ParmEd handles various errors and warnings that appear occur during the course of Action execution

-s, --strict

Prevent scripts from running past unrecognized input and actions that end with an error. In interactive mode, actions with unrecognized inputs and failed actions prevent any changes from being made to the topology, but does not quit the interpreter. This is the default behavior.

-r, --relaxed

Scripts ignore unrecognized input and simply skip over failed actions, executing the rest of the script. Unrecognized input in the interactive interpreter emits a non-fatal warning.