diff --git a/pycgtool/frame.py b/pycgtool/frame.py index c50fb96119840063173bf98f4063ece1af4506de..67905287f4e2673adf3202fcc59e494bd3f22abc 100644 --- a/pycgtool/frame.py +++ b/pycgtool/frame.py @@ -111,7 +111,7 @@ class Frame: """ Hold Atom data separated into Residues """ - def __init__(self, gro=None, xtc=None, itp=None, frame_start=0, xtc_reader="simpletraj"): + def __init__(self, gro=None, xtc=None, itp=None, frame_start=0, xtc_reader=None): """ Return Frame instance having read Residues and Atoms from GRO if provided @@ -132,7 +132,7 @@ class Frame: if gro is not None: from .framereader import get_frame_reader - self._trajreader = get_frame_reader(gro, traj=xtc, frame_start=frame_start) + self._trajreader = get_frame_reader(gro, traj=xtc, frame_start=frame_start, name=xtc_reader) self._trajreader.initialise_frame(self)