I am trying to source/load an existing .xtc file. It gives me RuntimeError: XTC read error: Compressed 3d coordinate.
I am trying to compute tICA. With some trajectories, it works when I increase the stride to 10. ( memory is not an issue I am executing my program on a platform with sufficient memory)
RuntimeError Traceback (most recent call last)
in ()
6 print("k = ", k)
7
----> 8 t = md.load(k, top = top)
/users/hsahni/.local/lib/python3.7/site-packages/mdtraj/core/trajectory.py in load(filename_or_filenames, discard_overlapping_frames, **kwargs)
427 #TODO make all the loaders accept a pre parsed topology (top) in order to avoid
428 #this part and have a more consistent interface and a faster load function
--> 429 t = loader(tmp_file, **kwargs)
430
431 except TypeError as e:
mdtraj/formats/xtc/xtc.pyx in mdtraj.formats.xtc.load_xtc()
mdtraj/formats/xtc/xtc.pyx in mdtraj.formats.xtc.load_xtc()
mdtraj/formats/xtc/xtc.pyx in mdtraj.formats.xtc.XTCTrajectoryFile.read_as_traj()
mdtraj/formats/xtc/xtc.pyx in mdtraj.formats.xtc.XTCTrajectoryFile.read()
mdtraj/formats/xtc/xtc.pyx in mdtraj.formats.xtc.XTCTrajectoryFile._read()
RuntimeError: XTC read error: Compressed 3d coordinate
I am trying to source/load an existing .xtc file. It gives me RuntimeError: XTC read error: Compressed 3d coordinate. I am trying to compute tICA. With some trajectories, it works when I increase the stride to 10. ( memory is not an issue I am executing my program on a platform with sufficient memory)
RuntimeError Traceback (most recent call last)