AW: about trajectory analysis

From: Norman Geist (
Date: Wed May 30 2012 - 02:18:25 CDT

Hoi Oguz,


usually nobody edits such large files by hand. You should find/or write
scripts and programs for such things. The best thing may be to write your
own script. I'm sure bash is pretty sufficient for file preprocessing and is
easy and quick to use. A tool that will help you is "sed" for example. If
you give some more details about how the files look, and what you need to
edit, we can help you more precise.


Norman Geist.


Von: [] Im Auftrag
von oguz gurbulak
Gesendet: Mittwoch, 30. Mai 2012 08:44
Betreff: namd-l: about trajectory analysis


Dear All,


I want to ask some questions about trajectory analysis. I have some md
simulation output files that includes coordinate, force and velocity
information. And these files are huge ( more than 5 GB ) . Could you please
recommend a free text editor which works on Linux or Windows to open and
edit these huge files? And I will run these files with fortran codes and get
again huge output files . In order to do this operation faster and
seamlessly what should I do ? Which facilities do I have on pc ? Could you
please share your experiences with me ?


Thanks for any help.


Kind regards.

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