[gmx-users] (no subject) - fluctuations

[Antonia V.]

Hello,

So a I can either increase my system size or do some post precessing-smoothing...

Thanks for the ideas
Antonia

> Date: Tue, 24 Mar 2009 11:39:19 +1100
> From: Dallas.Warren at pharm.monash.edu.au
> Subject: RE: [gmx-users] (no subject) - fluctuations
> To: gmx-users at 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.warren at 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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