[lammps-users] Create box following with read data

Hi Everyone,

I would like to create a spherical simulation box and place a coarse-grained (cg) model inside of it. I create the spherical simulation box using create_box with region spherical command. It is fine. However I would like to place the cg model from the data file using read_data command and it doesn't work. It only let me use create_atom command, but my cg model is too complicated to create using create_atom command and it is already created as a data file previously.

Is there any way that I can create a spherical simulation box and read my model from data file with read_data comand ?

Thanks in advance,
-burak

Hi Everyone,

I would like to create a spherical simulation box and place a coarse-grained (cg) model inside of it. I create the spherical simulation box using create_box with region spherical command. It is fine. However I would like to place the cg model from the data file using read_data command and it doesn't work. It only let me use create_atom command, but my cg model is too complicated to create using create_atom command and it is already created as a data file previously.

burak,

you are ignoring the first rule of computer simulations:

if a command doesn't crash, that doesn't mean that it
did what you want.

there is no "spherical box" in lammps. the simulation cell is
always a parallelepiped, usually an orthogonal one.

so whatever you may think your create_box command
did, it did something else.

you can specify all possible cell dimensions and
shapes in the data file. the read_data command
documentation has the details.

axel.