Axel,
Thank you for your quick answer.
please always reply to the mailing list and not only individual people.
thanks.
I will have to do this hundred of times per "pseudo-polymerisation" study:
I will write a small code that will modify the data file! Safer and faster
than in a text editor 
that is why i also suggested topotools. it simplifies the scripting
process and its output has been carefully reviewed many times to be fully
compliant with LAMMPS data files for several standard atom styles.
axel.
Oupsss, sorry!
OK. I just had a quick look at it and, indeed, it seems great! I just need to learn how to run VMD in batch mode…
Thank you for your help,
Bernard
please always reply to the mailing list and not only individual people.
thanks.
Oupsss, sorry!
I will have to do this hundred of times per "pseudo-polymerisation" study:
I will write a small code that will modify the data file! Safer and faster
than in a text editor
that is why i also suggested topotools. it simplifies the scripting
process and its output has been carefully reviewed many times to be fully
compliant with LAMMPS data files for several standard atom styles.
OK. I just had a quick look at it and, indeed, it seems great! I just need
to learn how to run VMD in batch mode...
vmd -dispdev text -eofexit somescript.vmd
axel.