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  1. Aug 22, 2016
  2. Aug 19, 2016
  3. Aug 18, 2016
  4. Jul 15, 2016
  5. Aug 06, 2015
  6. Jul 07, 2015
    • Gareth Tribello's avatar
      Fixed bug that breaks travis-ci · 9ab6f051
      Gareth Tribello authored
      I also fixed made the data collecting class is aware if we are calculating
      a distance.  If it knows that we are trying to calculate a distnace
      it returns something with which it can calculate a distance and not
      the position stored by COLLECT_FRAMES.  I am not sure this is necessary
      and if it will be ever used but I guess it is better to be safe than
      sorry
      9ab6f051
    • Gareth Tribello's avatar
      Added new functionality for output pdb in analysis · 61e9e629
      Gareth Tribello authored
      You can now use COLLECT_FRAMES to collect pdb data from the trajectory
      and output a pdb file that contains the underlying atomic coordinates
      in pdb format even if you are not using the rmsd distance to measure
      the dissimilarity matrix for dimensionality reduction.  Also fixed
      a number of bugs.
      61e9e629
  7. Jul 06, 2015
  8. Jul 05, 2015
  9. Jul 04, 2015
  10. Jul 03, 2015
  11. Jul 02, 2015
  12. Jul 01, 2015
  13. Jun 30, 2015
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