[gmx-users] (no subject) - fluctuations

David van der Spoel spoel at xray.bmc.uu.se
Mon Mar 23 11:38:54 CET 2009


Antonia V. wrote:
> Hello,
> 
> Is there a way to reduce the fluctuations of the properties calculated 
> with g_energy?
> 

Fluctuations scale as 1/sqrt(N) where N is the number of molecules. So 
the answer is yes.

> Thanks
> Antonia
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se



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