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[lammps-users] ?????? about the command "fix rigid/nve/small molecule"
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[lammps-users] ?????? about the command "fix rigid/nve/small molecule"


From: "htc" <619771202@...1204...>
Date: Tue, 11 Jul 2017 22:06:49 +0800

like this,all of the atoms are attach to each other,the number is molecule id .Will the command treat these atoms as eight rigid bodies?just like this?


------------------ ???????? ------------------
??????: "Axel Kohlmeyer";<akohlmey@...24...>;
????????: 2017??7??11??(??????) ????9:39
??????: "htc"<619771202@...1204...>;
????: "lammps-users"<lammps-users@lists.sourceforge.net>;
????: Re: [lammps-users] about the command "fix rigid/nve/small molecule"

On Tue, Jul 11, 2017 at 9:23 AM, htc <619771202@...1204...> wrote:
> here is the introduce:
> For bodystyle molecule, each set of atoms in the fix group with a different
> molecule ID is treated as a rigid body.

perhaps this sentence is more easily understood if reformulated like this:

For bodystyle {molecule}, each set of atoms in the fix group with the
same molecule ID is treated as a different rigid body.

or with a little more detail:

For bodystyle {molecule} atoms are grouped into rigid bodies by their
molecule ID, i.e. each set of atoms in the fix group with the same
molecule ID is treated as a different rigid body.

>
> if one atom is  not glued to the other, i mean ,maybe far away from each
> other,i assign different molecule id for the two atoms .Do the command treat
> the two atoms as a rigid body?
>
>
>
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--
Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.