[gmx-users] how to edit a .xvg file?

Justin A. Lemkul jalemkul at vt.edu
Thu Nov 24 01:04:33 CET 2011

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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