[gmx-users] auto-correlation function length

[David]

On Fri, 2003-02-07 at 20:05, Pedro Alexandre Lapido Loureiro wrote:
> Hello,
> 
> What is the value that I should choose for the parameter "-acflen" so as to use
> the entire run (and not half of it) for an ACF calculation?
> Sorry, but it is not very clear in the manual.
I think you need the number of points in your trajectory (maybe -1)

Note that the last points in the ACF is not very meaningfull because it
is based on very few data point...
> 
> Cheers,
> Pedro.
> 
> --
> Pedro Alexandre Lapido Loureiro
> Laboratório de Física Biológica
> Instituto de Biofísica
> UFRJ
> Brasil 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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