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Re: [lammps-users] 回复: about the command "fix rigid/nve/small molecule"
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Re: [lammps-users] 回复: about the command "fix rigid/nve/small molecule"


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 11 Jul 2017 12:19:40 -0400



On Tue, Jul 11, 2017 at 10:06 AM, htc <619771202@...1204...> wrote:
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?

​no. you have two molecule IDs, so there will be two rigid objects.

axel.​

 


------------------ 原始邮件 ------------------
发件人: "Axel Kohlmeyer";<akohlmey@...24...>;
发送时间: 2017年7月11日(星期二) 晚上9:39
收件人: "htc"<619771202@...3079......>;
抄送: "lammps-users"<lammps-users@lists.sourceforge.net>;
主题: 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.

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.