Thanks for the reply. 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?
Thanks, Yun ============================== ========== ------------------------------ Message: 5 Date: Wed, 23 Nov 2011 19:04:33 -0500 From: "Justin A. Lemkul" <jalem...@vt.edu> Subject: Re: [gmx-users] how to edit a .xvg file? To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <4ecd8a11.9030...@vt.edu> Content-Type: text/plain; charset=ISO-8859-1; format=flowed Yun Shi wrote: > Hi everyone, > > I wonder if there is any tool similar to trjconv that can be used to > edit a .xvg file? > > I just want to extract selected data points (like taking data every 10 > ps when the original .xvg contains data every 1 ps) and to concatenate > .xvg files according to the time of data. > Several options: 1. Use trjconv to reduce output frequency. 2. Use simple scripting or *nix operations to manipulate the resulting .xvg files. Skipping lines in output is trivial for a language like Perl, and concatenation can be done with simple *nix utilities like 'cat' and others. -Justin -- ======================================== ------------------------------ Message: 6 Date: Thu, 24 Nov 2011 13:23:02 +1100 From: Mark Abraham <mark.abra...@anu.edu.au> Subject: Re: [gmx-users] how to edit a .xvg file? To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <4ecdaa86.7050...@anu.edu.au> Content-Type: text/plain; charset=ISO-8859-1; format=flowed On 24/11/2011 10:31 AM, Yun Shi wrote: > Hi everyone, > > I wonder if there is any tool similar to trjconv that can be used to > edit a .xvg file? > > I just want to extract selected data points (like taking data every 10 > ps when the original .xvg contains data every 1 ps) and to concatenate > .xvg files according to the time of data. It's usually easiest to re-create the file using the -dt option of the tool. Note that the command that created the .xvg file is recorded in a comment in the file. Mark ------------------------------
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