On Fri, Oct 25, 2019, Shayna Hilburg wrote:
>
>I am using pytraj's atomicfluct calculation and have a question about
>units. I know that the value reported is in Angstroms, but I am unsure what
>time scale this corresponds to. What are the fluctuations considering? Is
>this actually in Angstroms/time, and if so, what is that time? 1 frame?
There is no time involved. You get the root-mean-square fluctuation for
the entire (segment of the) trajectory that you analyzed. This is an
equilibrium property, not a time-dependent one.
...hope this helps...dac
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Received on Sat Oct 26 2019 - 05:30:02 PDT
