diff --git a/python/BioSimSpace/Process/_gromacs.py b/python/BioSimSpace/Process/_gromacs.py index bee05fb6e..47163264b 100644 --- a/python/BioSimSpace/Process/_gromacs.py +++ b/python/BioSimSpace/Process/_gromacs.py @@ -89,7 +89,9 @@ def __init__(self, system, protocol, exe=None, name="gromacs", own naming scheme, e.g. { "charge" : "my-charge" } ignore_warnings : bool - Whether to ignore warnings when generating the binary run file. + Whether to ignore warnings when generating the binary run file + with 'gmx grompp'. By default, these warnings are elevated to + errors and will halt the program. show_errors : bool Whether to show warning/error messages when generating the binary