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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: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 25 Sep 2017 17:18:40 -0400

On Mon, Sep 25, 2017 at 5:07 PM, Sengupta, S. <S.Sengupta@...2493...> wrote:
> 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.

this makes no sense and contradicts the documentation.
also, i already told you what you have to do, why do you insist on
something else? if that were possible, i would have told you.
if you don't want to follow advice, why are you asking for it?

axel.


>
> Thanks
> Soumyadipta
> ________________________________________
> From: Axel Kohlmeyer [akohlmey@...24...]
> Sent: 25 September 2017 20:15
> To: Sengupta, S.
> Cc: lammps-users@lists.sourceforge.net
> 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.
>
> axel.
>
>>
>> Thanks
>> Soumyadipta
>> ------------------------------------------------------------------------------
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>
>
>
> --
> Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.



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