Giovanni Pinamonti
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Giovanni Pinamonti
I'm working on this. Now they have an unsupervised version that works without the user selection of cluster centers that was required in the original algorithm. I have an implementation...
Hi, It looks like the error comes from mdtraj when loading the xtc trajectory. (you should get the same error if you load the xtc directly with mdtraj.load_xtc(traj,topology=top). you can...