[lammps-users] Questions about using fix to the addatoms

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,
    I make a new fix command to add atoms frequently. So there will be two parts inside my simulation box ,one is addatom and another one is the original substrate which I create before adding atoms.I want to use fix_nvt in order to move the addatoms but not to the substrate,because the temperature is different between these two part. But I did not find anyway to control the temperature of the addatoms independently. And the only way to control the temperature of addatoms is using the fix_nvt to "all" group. Is there any suggestion for me to use fix_nvt to the addatoms independently?
Thank you very much.

                                                            John

2

When you create atoms you can put them in whatever group(s) you wish
by setting the appropriate bits in mask[i]. However I think it
is not a good idea to use fix nvt on a group with a changing number
of atoms. The Nose/Hoover quantities computed and stored by fix
nvt will not be conserved if N is changing. You could always use
other thermostats (temp/rescale, langevin) on the atoms you add.

Steve