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Releases: MD-Studio/cerise-mdstudio-share-data

v0.2.1

28 Sep 11:20
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Fixed

  • Base command bug

v.0.2.0

28 Sep 10:01
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Change

  • Download getEnergies.py script from the lie_md repo instead of MDStudio

First stable version

25 Apr 15:57
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  • Carry out MD with gromit follows by a reading energy step and residues decomposition
  • Run gromit using both MPI and thread-MPI
  • Tested in DAS5, Binac and VU-GT clusters