[gmx-users] auto-correlation function length

[David]

On Sat, 2003-02-08 at 14:21, Pedro Alexandre Lapido Loureiro wrote:
> > > 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...
> > > 
> > 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
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > _______________________________________________
> 
> 
> Thanks for your reply!
> No, I`m afraid -1 will give half the simulation frames.
I meant nframes-1

gmxcheck will tell you how many frames you have
> 
> Cheers,
> 
> Pedro.
> --
> Pedro Alexandre Lapido Loureiro
> Laboratório de Física Biológica
> Instituto de Biofísica
> UFRJ
> Brasil 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++