[gmx-users] Statistical errors

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Sat Feb 8 15:08:10 CET 2003


Apart from systematic errors (choice of forcefield, use of cut-offs etc) and
statistical ones (undersampling) can we say there is "noise" in the measurement
of some average derived from a simulation?
For instance, do the temperature and pressure baths introduce "noise"?
Another point is the propagation of sound waves in systems with periodic
boundary conditions: it would introduce noise in time correlation functions. How
do I recognize such phenomena?
(I hope you don`t find these questions naive ...)


Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica

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