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The results of a RBT analysis is a MMTK NetCDF trajectory file containing the rigid-body trajectory. Beside the
trajectory, other NetCDF variables are stored in this file namely:
- groupi, i = 1, 2, ...
: the MMTK indexes of each atom of groups 1, 2, ...
where
is the number of groups selected for the analysis,
- quaternion: a matrix of dimension (
,
, 4) where
is the number of selected frames for the RBT
analysis. This matrix contains the quaternions produced by the RBT analysis at each frame and for each rigid-body,
- cms: a matrix of dimension (
,
, 3) that contains the coordinates of the center of mass of each
rigid-body for each frame,
- fit: a matrix of dimension (
,
) that contains the results of the fit produced by the RBT
fitting procedure at each frame and for each rigid-body.
pellegrini eric
2009-10-06