CNT which is free to translate and rotate

Hi
I try to simiulate transport of liquids through carbon nanotube and I need to have a CNT which is free to translate and rotate in water box.
I can prepare a data file for this purpose using VMD but I think the position of the carbon atoms are fixed in this file.
Please suggest me:
· how can I make free translation and rotation of nanotube in LAMMPS?
· How can I have a CNT with flexible walls?
· Can we use multiple datafile in one input scripts? (for example one for water and theother for walls or cnt)

For the above questions do I need to change the datafile or should use special commands of lammps?

Thanks

Hi
I try to simiulate transport of liquids through carbon nanotube and I need to have a CNT which is free to translate and rotate in water box.
I can prepare a data file for this purpose using VMD but I think the position of the carbon atoms are fixed in this file.

Why?

Please suggest me:
· how can I make free translation and rotation of nanotube in LAMMPS?

By default every atom can move freely. What moves and what doesn’t depends on your input script.

· How can I have a CNT with flexible walls?

See previous answer. You choose your model, not lammps.

· Can we use multiple datafile in one input scripts? (for example one for water and theother for walls or cnt)

No. This has been discussed on the list many times. Please research the old discussion in the mailing list archives.

For the above questions do I need to change the datafile or should use special commands of lammps?

You probably need to practice running lammps a bit more, preferably with simpler inputs. There are multiple websites with tutorial materials and the how-to sections in the manual.

Simulation almost always have to be built in stages from components. There is no “just do this system the way I want it” command.

Axel