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Re: [lammps-users] Wall lj/93 pbc query
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Re: [lammps-users] Wall lj/93 pbc query

From: "Sengupta, S." <S.Sengupta@...2493...>
Date: Mon, 25 Sep 2017 21:07:18 +0000

Dear Axel,

Thanks for the reply. Can I use the wall on one side only and switch on pbc so that I can use the barostat and have the polymer interacting with walls on both sides.

From: Axel Kohlmeyer [akohlmey@...24...]
Sent: 25 September 2017 20:15
To: Sengupta, S.
Subject: Re: [lammps-users] Wall lj/93 pbc query

On Mon, Sep 25, 2017 at 1:49 PM, Sengupta, S. <S.Sengupta@...2493...> wrote:
> Dear LAMMPS users,
> I would like to have my polymer interact with walls (wall lj/93) on both top and bottom. Is it sufficient to switch on the bottom wall interactions and also pbc ? Or should I explicitly place walls on both top and bottom ?

you need two walls and you should turn pbc in that direction off.


> Thanks
> Soumyadipta
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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.