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pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone
MIT License
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Concatenate and align the trajectory Error #60

Closed soul-stormer closed 1 year ago

soul-stormer commented 1 year ago

Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.

OSError Traceback (most recent call last) in 40 ref = [template % int(1)] 41 ---> 42 u1 = mda.Universe(pdb, flist) 43 u2 = mda.Universe(pdb, ref) 44

9 frames /usr/local/lib/python3.9/site-packages/MDAnalysis/lib/formats/libdcd.pyx in MDAnalysis.lib.formats.libdcd.DCDFile.open()

OSError: DCD file does not exist

pablo-arantes commented 1 year ago

Hi @soul-stormer,

I've checked here and everything is working fine. I need more information to help you. Which notebook are you using? One suggestion is to check if you are using the same path you ran your MD simulation in the concatenate cell.

Thank you.

Pablo