question

Hi dear
I would thanks for your excellent provided code.I am one of fans of
your code and would use it in my thesis. My thesis is about simulation
of polymer nanocomposite. I have a few problem with it. First, I don't
know how do I define a polymer molecule in LAMMPS? Second, for
embedding a nano particle in polymer matrix, should I define the
region?
please guide me. before ahead I thanks for your help. I'm looking
forward to your answer.

Hi dear
I would thanks for your excellent provided code.I am one of fans of
your code and would use it in my thesis. My thesis is about simulation
of polymer nanocomposite. I have a few problem with it. First, I don't
know how do I define a polymer molecule in LAMMPS? Second, for

use or write an external tool that generates a data file.
check out the tools/chain.f file for a simplistic example.

embedding a nano particle in polymer matrix, should I define the
region?

again, this is something that is likely to be best done externally,
by generating a polymer matrix with a suitable hole and then
building the composite. to handle potential overlaps, you may
start the simulation using a "soft" potential, that is turned on
gradually.

please guide me. before ahead I thanks for your help. I'm looking
forward to your answer.

please also talk to your advisor. the kind of problem that you
are asking to get help with, is usually something that is _supposed_
to be explained to you by your advisor. that is their job, not ours.

axel.