[gmx-users] Hbonds, Manual divergence & Correlation time.

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Thu Aug 22 18:07:39 CEST 2002

	From GMX Manual 3.1.1 pag. 158-160, hydrogen bonds are defined in
a way different from what is said at pag. 216-218.  Methinks that g_hbond
follows latter.
	I'm trying to analyse a 1ns simulation (1000 frames), but when I
run g_hbond correlation time is evaluated only to 501ps!

The output shows that:
>Will calculate Hydrogen Bond Autocorrelation of 22 thingies for 1001
>bAver = TRUE, bFour = TRUE bNormalize= TRUE
>mode = 1, dt = 1, nrestart = 1
>Thingie 22

	Any ideas?  Many thanks in advance.

Alan Wilter S. da Silva
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil

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