[lammps-users] water molecule distribution

LAMMPS LAMMPS Mailing List Mirror
1

Dear All

I have a CNT molecule in my simulation box. I want to fill it by water molecules (TIP3P).
How to tell LAMMPS that distribute them entire the box that do not have overlap with CNT atoms?

Thanks in advance,

Regards,
Yasti

2

Dear All

I have a CNT molecule in my simulation box. I want to fill it by water
molecules (TIP3P).
How to tell LAMMPS that distribute them entire the box that do not have
overlap with CNT atoms?

LAMMPS doesn't do these kind of things. you have to use some
external tool or write your own software to do this by generating
a suitable data file.

cheers,
    axel.

3

Dear Axel

Thanks for your response.
may you introduce me some tool that does this?

Regards,
yasti

4

Dear Axel

Thanks for your response.
may you introduce me some tool that does this?

i would be using VMD for it.