Harshitasahni
Harshitasahni
What is the unit (Ang or nm) for the rmsd's calculated using mdtraj.rmsd? https://mdtraj.org/1.9.4/api/generated/mdtraj.rmsd.html
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...
INFO - general - Read 1 molecules from PDB file frame_50001.pdb INFO - step - Guessing the bonds. INFO - general - 8 molecules after guessing bonds INFO - step...