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[lammps-users] Fixing the position of graphene sheet
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[lammps-users] Fixing the position of graphene sheet


From: Jatin Kashyap <jk435@...6426...>
Date: Thu, 28 Sep 2017 18:24:41 -0400

Hello LAMMPS Users,

I’m trying to fix the position of the atoms, throughout whole simulation, of a graphene sheet while moving something that is sitting above it while they aren’t contacting each other. For that, I’m using following commands to constrain the motion of the atoms belonging to “fx_gr” group:

velocity            fx_gr zero linear
velocity            fx_gr zero angular
fix                    3 fx_gr setforce 0 0 0

But after running simulation, carbons atoms belonging to “fx_gr” group appears to be moving right from 0th frame of the dump files. The simulation contains water and graphene interaction.

Thanks to all for your time. 
 

——
Jatin Kashyap (https://web.njit.edu/~jk435/)
Ph.D. Student
DDLab Group
Department of Mechanical and Industrial Engineering
New Jersey Institute of Technology (NJIT)
Newark, NJ 07102