Antonia V. wrote:
Hello,
So a I can either increase my system size or do some post
precessing-smoothing...
If you elaborate on which properties you are interested in it may be
possible to come up with more tips.
Thanks for the ideas
Antonia
> Date: Tue, 24 Mar 2009 11:39:19 +1100
> From: dallas.war...@pharm.monash.edu.au
> Subject: RE: [gmx-users] (no subject) - fluctuations
> To: gmx-users@gromacs.org
>
> > > 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.
>
> Depending on what you actually want to do, some smoothing of the data
> may be what you are after. One way of doing this is taking some points
> before and after a time, then averaging them all together.
>
> Catch ya,
>
> Dr. Dallas Warren
> Department of Pharmaceutical Biology and Pharmacology
> Pharmacy and Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.war...@pharm.monash.edu.au
> +61 3 9903 9167
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble
> a nail.
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