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Data format
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:Author: Kota Kasahara

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.trrmdcc format
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The original trajectory file format *.trrmdcc*, which can be converted from Gromacs .trr format by using *convert_trajectory.py* script, is used in the mDCC tools.

The first 16 bytes record four inter values::

  * 1-4: the reserved number "1993"
  * 5-8: the size of a real value, 4 or 8
  * 9-12: the number of atoms : Na
  * 13-16: the number of frames : Nf
  * 17-20: the dimension of data vector : D (for MD trajectory, D=3)

The remaining part records D \* Na \* Nf real values indicating the x,y,z coordinates of atoms in each time.

The order of values are,

  * x(0,0,0), x(0,0,1), x(0,0,2), ..., x(0,0,Nf),
  * x(1,0,0), x(1,0,1), x(1,0,2), ..., x(0,0,Nf),
  *   ...
  * x(D,0,0), x(D,0,1), x(D,0,2), ..., x(D,0,Nf),
  * x(0,1,0), x(0,1,1), x(0,1,2), ..., x(0,1,Nf),
  *   ...
  * x(D,Na,0), x(D,Na,1), x(D,Na,2), ..., x(D,Na,Nf)
  
where, x(d,i,j) means d-th dimension coordinate of i-th entity (atom) at j-th sample (time).