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Re: [lammps-users] PBC
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Re: [lammps-users] PBC


From: Jana Pritam <pritam.jana@...3660...>
Date: Fri, 10 Nov 2017 13:34:20 +0000

Thank you Andrew. Is it possible to simulate when a part of the surface is outside the box? Because it will immediately show that atoms are outside the box error. Here is my system schematic.  Or somehow I have to take the same area of upper and lower plate?
Thank you Keshab. I looked at them but somehow I can not connect with my problem.


On 10 Nov 2017, at 02:52, Andrew Jewett <jewett@...1937...> wrote:

On Nov 9, 2017 2:17 PM, "Keshab Bashyal" <kbashyal@...4049....> wrote:
Dear Pritam, 
I think this link will be helpful to you. 

Also see this link:

It is a long web page so search for the words "triclinic" and "boundary".

Although I mentioned triclinic boundary conditions, I don't see why it would be necessary to use triclinic boundaries for your simulation.  There is no reason that both plates need to lie entirely within the simulation boundary.  You could probably use ordinary rectangular boundaries.  (recommended unless there's a good reason to do otherwise)

cheers
-andrew


On Thu, Nov 9, 2017 at 3:26 PM, Jana Pritam <pritam.jana@...3660...> wrote:
Dear all,
I have a question related to periodic boundary condition. The system what I am studying is as follows: Liquids are confined between two rectangular plates and the upper plate is misaligned with respect to the lower one. I do not understand how to implement periodic boundary conditions along X and Y directions. Is it possible to do in LAMMPS? If you make some comments it would be helpful.
Best
Pritam
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