Out-of-core calculations with md.iterload()
An error occurred while executing the following cell:
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first_frame = md.load_frame(traj_filename, 0)
first_frame
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[0;31m[0m
[0;31mOSError[0mTraceback (most recent call last)
[0;32m
[0m in [0;36m[0;34m[0m
[0;32m----> 1[0;31m [0mfirst_frame[0m [0;34m=[0m [0mmd[0m[0;34m.[0m[0mload_frame[0m[0;34m([0m[0mtraj_filename[0m[0;34m,[0m [0;36m0[0m[0;34m)[0m[0;34m[0m[0;34m[0m[0m
[0m[1;32m 2[0m [0mfirst_frame[0m[0;34m[0m[0;34m[0m[0m
[0;32m/nix/store/rg3m2aq0i0897r4cmx3a3cy1gjx0ragp-python3.8-mdtraj-0.0/lib/python3.8/site-packages/mdtraj/core/trajectory.py[0m in [0;36mload_frame[0;34m(filename, index, top, atom_indices, **kwargs)[0m
[1;32m 308[0m [0;34m[0m[0m
[1;32m 309[0m [0;32mif[0m [0mloader[0m[0;34m.[0m[0m__name__[0m [0;32mnot[0m [0;32min[0m [0;34m[[0m[0;34m'load_dtr'[0m[0;34m][0m[0;34m:[0m[0;34m[0m[0;34m[0m[0m
[0;32m--> 310[0;31m [0m_assert_files_exist[0m[0;34m([0m[0mfilename[0m[0;34m)[0m[0;34m[0m[0;34m[0m[0m
[0m[1;32m 311[0m [0;32melse[0m[0;34m:[0m[0;34m[0m[0;34m[0m[0m
[1;32m 312[0m [0m_assert_files_or_dirs_exist[0m[0;34m([0m[0mfilename[0m[0;34m)[0m[0;34m[0m[0;34m[0m[0m
[0;32m/nix/store/rg3m2aq0i0897r4cmx3a3cy1gjx0ragp-python3.8-mdtraj-0.0/lib/python3.8/site-packages/mdtraj/core/trajectory.py[0m in [0;36m_assert_files_exist[0;34m(filenames)[0m
[1;32m 98[0m [0;32mfor[0m [0mfn[0m [0;32min[0m [0mfilenames[0m[0;34m:[0m[0;34m[0m[0;34m[0m[0m
[1;32m 99[0m [0;32mif[0m [0;32mnot[0m [0;34m([0m[0mos[0m[0;34m.[0m[0mpath[0m[0;34m.[0m[0mexists[0m[0;34m([0m[0mfn[0m[0;34m)[0m [0;32mand[0m [0mos[0m[0;34m.[0m[0mpath[0m[0;34m.[0m[0misfile[0m[0;34m([0m[0mfn[0m[0;34m)[0m[0;34m)[0m[0;34m:[0m[0;34m[0m[0;34m[0m[0m
[0;32m--> 100[0;31m [0;32mraise[0m [0mIOError[0m[0;34m([0m[0;34m'No such file: %s'[0m [0;34m%[0m [0mfn[0m[0;34m)[0m[0;34m[0m[0;34m[0m[0m
[0m[1;32m 101[0m [0;34m[0m[0m
[1;32m 102[0m [0;34m[0m[0m
[0;31mOSError[0m: No such file: data/frame0.h5
OSError: No such file: data/frame0.h5
(iterload.ipynb; iterload_eval.ipynb; iterload.py)