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The results of a CN analysis are stored in a NetCDF file whose main variables are namely:
- r: the distances in nm at which all the CN variants are computed,
- time: the times in ps at which all the time-dependant CN variants are computed,
- cn-X-intra: the intramolecular time-dependent partial CN for specie X,
- cn-X-inter: the intermolecular time-dependent partial CN for specie X,
- cn-X: the intramolecular plus intermolecular time-dependent partial CN for specie X,
- cn-cumul-X-intra: the intramolecular time-dependent partial cumulative CN for specie X,
- cn-cumul-X-inter: the intermolecular time-dependent partial cumulative CN for specie X,
- cn-cumul-X: the intramolecular plus intermolecular time-dependent partial cumulative CNfor specie X,
- cn-timeavg-X-intra: the intramolecular time-avergaed partial CN for specie X,
- cn-timeavg-X-inter: the intermolecular time-averaged partial CN for specie X,
- cn-timeavg-X: the intramolecular plus intermolecular time-averaged partial CN for specie X,
- cn-timeavg-cumul-X-intra: the intramolecular time-averaged partial cumulative CN for specie X,
- cn-timeavg-cumul-X-inter: the intermolecular time-averaged partial cumulative CN for specie X,
- cn-timeavg-cumul-X: the intramolecular plus intermolecular time-averaged partial cumulative CN for specie X,
- cn-timeavg: the time-averaged total CN,
- cn-timeavg-cumul: the time-averaged total cumulative CN.
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pellegrini eric
2009-10-06