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tubiana / TTClust

clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
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what is the unit of RMSD in the log file ? #28

Closed hima111997 closed 3 years ago

hima111997 commented 3 years ago

in the log file produced from clustering, there are cutoff for clustering, RMSD between clusters, and average RMSD. Can you tell me what are the units for each one?

tubiana commented 3 years ago

Hi !

The unit for the RMSD is in angstrom. But there is no unit (or Arbitrary Unit) for the cutoff value since it is a hierarchical distance. It corresponds to the value in the dendrogram on the Y-axis.