[gmx-users] g_rotacf

Xavier Periole X.Periole at rug.nl
Thu Sep 4 08:32:46 CEST 2008

On Wed, 3 Sep 2008 23:40:14 -0400
  "rams rams" <rams.crux at gmail.com> wrote:
> Hi,
> I am so surprised for not finding any one who have better experience with
> g_rotacf. I have been playing around with it and the time correlation value
> I got by g_rotacf is so small in comparison to the time correlation value I
> calcualted using the hydrodynamic radius of the protein. The value is nearly
> 10 times less. Can some one give me a better idea about g_rotacf.
Many people have certainly used g_rotacf to get ACFs of different observables.

Anyways the way you describe your system, command line and your problem does
does not help anyone to help you. Read your message above and think about what
you would answer! You've played around with g_rotacf therefore you know it
is not straightforward to give you the magic command.

> Ram.

XAvier Periole - PhD

Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands

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