[gmx-users] auto-correlation function length

[Pedro Alexandre Lapido Loureiro]

> > 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.

Cheers,

Pedro.
--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil