[gmx-users] multiple data sets in g_analyze

[herbst at fhi-berlin.mpg.de]

thank you, now it works. I hope, I can molest you with another problem:
I am writing the input file with a fortran program, and when I use
write(37,*)'&'       to write the & into the file, & is always written in
the second
column instead of the first. Do you by chance know what I have to do to
write it in
the first column ?

Thanks a lot,
Anna
>
> I think your problem is the space before the &, remove this whitespace.
> I should fix this problem in g_analyze.
>
> Berk.
>
>>
>>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
>> >>all
>> >>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.
>> >
>> > _________________________________________________________________
>> > MSN Search, for accurate results! http://search.msn.nl
>> >
>> > _______________________________________________
>> > gmx-users mailing list
>> > gmx-users at gromacs.org
>> > http://www.gromacs.org/mailman/listinfo/gmx-users
>> > Please don't post (un)subscribe requests to the list. Use the
>> > www interface or send it to gmx-users-request at gromacs.org.
>> >
>>_______________________________________________
>>gmx-users mailing list
>>gmx-users at gromacs.org
>>http://www.gromacs.org/mailman/listinfo/gmx-users
>>Please don't post (un)subscribe requests to the list. Use the
>>www interface or send it to gmx-users-request at gromacs.org.
>
> _________________________________________________________________
> MSN Search, for accurate results! http://search.msn.nl
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>