[gmx-users] multiple data sets in g_analyze
gmx3 at hotmail.com
Tue May 31 10:31:36 CEST 2005
I think your problem is the space before the &, remove this whitespace.
I should fix this problem in g_analyze.
>I did use the option -n, because I want to read all data sets:
> g_analyze -n 2 -oneacf -f mittelauto9.xvg -ac test
>and a data file like I described below.
>Gromacs gives me the following message:
>Ignoring invalid line in mittelauto9.xvg:
>Set 2 is shorter (0) than the previous set (10004)
>Will use only the first 0 points of every set
>In fact I have two sets of 5002 points each, but gromacs does not recognize
>the separation by &. What am I doing wrong?
> >>From: herbst at fhi-berlin.mpg.de
> >>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> >>To: gmx-users at gromacs.org
> >>Subject: [gmx-users] multiple data sets in g_analyze
> >>Date: Mon, 30 May 2005 14:29:25 +0200 (CEST)
> >>Hello all!
> >>I want to use g_analyze for multiple data sets. It worked for an input
> >>file like
> >> t1 y1 y2 etc.
> >>But this is not very practical when there are a lot of data sets, so I
> >>tried to list them
> >>below each other with
> >> t1 y1(t1)
> >> t2 y1(t2)
> >> .....
> >> &
> >> t1 y2(t1)
> >> t2 y2(t2)
> >> .......
> >>as I understood the manual. But this way, gromacs ignores the & and
> >> unites
> >>data sets to one. So what is the right way to do it ?
> > That is strange.
> > It should read just the first set.
> > To read them all g_analyze has the option -n.
> > Berk.
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