Thanks for the reply.<br><br>In my case, they are the pullf and pullx files from a COM pulling simulation. So does this mean writing a script would be the best way?<br><br>Thanks,<br>Yun<br><br>==============================<div id=":3f">
==========<br>
<br>
<br>
------------------------------<br>
<br>
Message: 5<br>
Date: Wed, 23 Nov 2011 19:04:33 -0500<br>
From: "Justin A. Lemkul" <<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>><br>
Subject: Re: [gmx-users] how to edit a .xvg file?<br>
To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>
Message-ID: <<a href="mailto:4ECD8A11.9030002@vt.edu">4ECD8A11.9030002@vt.edu</a>><br>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed<br>
<br>
<br>
<br>
Yun Shi wrote:<br>
> Hi everyone,<br>
><br>
> I wonder if there is any tool similar to trjconv that can be used to<br>
> edit a .xvg file?<br>
><br>
> I just want to extract selected data points (like taking data every 10<br>
> ps when the original .xvg contains data every 1 ps) and to concatenate<br>
> .xvg files according to the time of data.<br>
><br>
<br>
Several options:<br>
<br>
1. Use trjconv to reduce output frequency.<br>
2. Use simple scripting or *nix operations to manipulate the resulting .xvg<br>
files. Skipping lines in output is trivial for a language like Perl, and<br>
concatenation can be done with simple *nix utilities like 'cat' and others.<br>
<br>
-Justin<br>
<br>
--<br>
========================================</div><br>------------------------------<br>
<br>
Message: 6<br>
Date: Thu, 24 Nov 2011 13:23:02 +1100<br>
From: Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>><br>
Subject: Re: [gmx-users] how to edit a .xvg file?<br>
To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>
Message-ID: <<a href="mailto:4ECDAA86.7050706@anu.edu.au">4ECDAA86.7050706@anu.edu.au</a>><br>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed<br>
<br>
On 24/11/2011 10:31 AM, Yun Shi wrote:<br>
> Hi everyone,<br>
><br>
> I wonder if there is any tool similar to trjconv that can be used to<br>
> edit a .xvg file?<br>
><br>
> I just want to extract selected data points (like taking data every 10<br>
> ps when the original .xvg contains data every 1 ps) and to concatenate<br>
> .xvg files according to the time of data.<br>
<br>
It's usually easiest to re-create the file using the -dt option of the<br>
tool. Note that the command that created the .xvg file is recorded in a<br>
comment in the file.<br>
<br>
Mark<br>
<br>
<br>
------------------------------