crdfluct

Calculate atomic fluctuations (RMSF) for atoms over time blocks.

[crdset <crd set>] [<mask>] [out <filename>] [window <size>] [bfactor]

Calculate atomic positional fluctuations for atoms in <mask> over windows of size <size>. If bfactor is specified, the fluctuations are weighted by $\frac{8}{3} \pi ^2$ (similar but not necessarily equivalent to crystallographic B-factor calculation).

Units are $\AA$ , or $\AA^2 \cdot \frac{8}{3} \pi ^2$ if bfactor specified.

Category: Analysis Commands, CPPTRAJ

Tags: analysis

crdfluct

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