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Converts a MaterialsStudio Discover or Forcite Trajectory into a MMTK NetCDFFile.
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atomLineFormat = FortranFormat('A5,1X,F14.9,1X,F14.9,1X,F14.9,
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The constructor. Will do the conversion.
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Reads the Materials Studio XTD or XSD file and set up the universe from which the NetCDF MMTK trajectory will be written. Note: the XTD and XSD file are xml file. |
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atomLineFormat
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