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[lammps-users] Changing boundary conditions in polymer
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[lammps-users] Changing boundary conditions in polymer

From: Rajesh <creativeidleminds@...24...>
Date: Sun, 3 Dec 2017 11:42:41 +0530

Dear lammps users
I am simulating polyethylene with initial p p p conditions and want to change the conditions to s p p. But when I do this, polymer chains at boundary have broken bonds due to change in boundary conditions. Is there any way in lammps so that whole polymer chain can be confined in in simulation box so that no bonds are broken at boundary?