Single atom


Sorry I mailed to your inbox, better I am mailing again in the mail list.Steve,

In my model, I want to select any atom of my interest from my
simulation box and then impart it a certain velocity in a particular
direction. I can use velocity set command with vx,vy,vz co-ordinate
for imparting velocity to that particular atom.

Now, I have a question regarding how do I select a particular atom. As
velocity only accepts group ID, do I have to define a group
containing single atom. Or is there any other command in LAMMPS to do

I have seen set type command for selecting an atom of any ID , for eg.
I can use

set atom 1500 type 1,

but how do I relate this to group ID.


Agraj Abhishek

If you had read the manual for the group command at , you can see the following:

group ID style args

ID = user-defined name of the group
style = delete or region or type or id or molecule or subtract or
union or intersect

The arguments provided for the "style" includes "type"

If you do not have an active net connection, you could have looked at
the $INSTALL_DIR_OF_LAMMPS/doc/group.html directory to access the same