How to add columns to data file using TK consol scripting?

LAMMPS LAMMPS Beginners
1

Hello All,

I am wondering if there is way to add columns to a data file using VMD Tk console. I have a data file in “Full format” which I want to change into "hybrid edpd full"format. So I need to delete one of the columns and add four columns (edpd_cv edpd_temp moelcule_ID q ) to it. Is there a way using commands in TK consol to do that and if yes how?

Thank you so much,

2

For this kind of work I would usually use awk, which is an excellent program for manipulating column-based text data files.

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3

I usually use a (programmer’s) text editor (emacs) that has cut and paste for rectangular regions for this purpose.

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4

No. you would have to change the topotools Tcl script code.

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