[gmx-users] Statistical uncertainty in gromacs

Juliette N. joojoojooon at gmail.com
Thu Feb 21 08:09:54 CET 2013


Hi everyone,

Does anyone know of a gmx tool which calculates the statistical
uncertainty?

and if there is such a tool, how can one calculate the statistical
uncertainty for a quantity A (not extractable directly by gromcas), which
is expressed in terms of 3 other quantities, e.g. property A=(Potential of
gas phase - potential of liquid phase)*(density of liquid phase).

I am interested in statistical uncertainty of A.

Appreciate your help,
-- 
Thanks,
Best,



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