[gmx-users] multiple data sets in g_analyze

herbst at fhi-berlin.mpg.de herbst at fhi-berlin.mpg.de
Tue May 31 10:23:42 CEST 2005

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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