[gmx-users] gmx analyze (5.1.2) correlation function(s)

João Henriques joao.henriques.32353 at gmail.com
Fri Mar 11 15:34:42 CET 2016


I've encountered this issue:

http://bugzilla.gromacs.org/issues/1914

Looked like it at first, but then I noticed that I am not using
-nonormalize, i.e. I am normalizing by default.

J

On Fri, Mar 11, 2016 at 3:26 PM, João Henriques <
joao.henriques.32353 at gmail.com> wrote:

> Dear all,
>
> Does gmx analyze, version 5.1.2, contain any known bug/problem that I am
> not aware of? I recently moved from gromacs 4.6.7 to 5.1.2 and I seem to
> have encountered an issue with the calculation and/or output of the
> (auto)correlation function(s). It basically outputs all zeros on the second
> column of the output xvg file, whereas when I use g_analyze 4.6.7 I get the
> normal behavior, i.e. a beautiful autocorrelation function.
>
> Thank you in advance,
> Cheers,
> J
>
>
>


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