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Re: [lammps-users] Merging Two structure (pdb or lammps data files) files
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Re: [lammps-users] Merging Two structure (pdb or lammps data files) files


From: Stefan Paquay <stefanpaquay@...24...>
Date: Thu, 7 Sep 2017 08:48:26 -0400

Not if you delete the entire molecule that belongs to atoms that get deleted. Read the docs of delete_atoms.

On Thu, Sep 7, 2017 at 8:30 AM, Rajesh <creativeidleminds@...24...> wrote:
Dear Paquay,

Will that not break the polymer chains in the vicinity of cnt and affect the system properties?

On Thu, Sep 7, 2017 at 5:48 PM, Stefan Paquay <stefanpaquay@...24...> wrote:
You can read multiple data files (check how to do it in the docs) and then use delete_atoms to delete overlapping atoms or molecules m

On Sep 7, 2017 7:35 AM, "Rajesh" <creativeidleminds@...24...> wrote:
Dear lammps users
I have two structure files (.pdb or lammps data files), one is for polymer matrix (polyethylene) and other is for nanofiller (CNT). I want to merge them such that there is no overlapping of atoms. Is there any way in lammps or in any other software to accomplish this? 

Thank you


Rajesh

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