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djay0529 / mdanalysis

Automatically exported from code.google.com/p/mdanalysis
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Conversion factors #214

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
MDAnalysis.core.units only offers kJ, but CHARMM operates in kcal. Could this 
conversion factor be implemented? I am able to convert using 
scipy.constants.calorie, but for full integration and less dependency upon 
other packages, this might be useful.

Original issue reported on code.google.com by tcthepoe...@gmail.com on 11 Feb 2015 at 7:30

GoogleCodeExporter commented 9 years ago 
This issue was closed by revision e61eebbf1845.

Original comment by orbeckst on 13 Feb 2015 at 5:28