[gmx-users] Fluctuation properties

Pelin S Bulutoglu pbulutog at purdue.edu
Fri Sep 28 21:18:19 CEST 2018

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Dear Gromacs users,


How can I assess the uncertainty of the properties calculated with the -fluct_props option in gmx energy? Since these are fluctuation properties, I cannot make an error estimation such as block averaging. Any suggestion is appreciated.


Regards,


Pelin Su Bulutoglu

Graduate Research Assistant

School of Chemical Engineering

Purdue University

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