LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Melting two standard molecules together
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Melting two standard molecules together

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 29 Jul 2017 08:36:00 -0400

On Sat, Jul 29, 2017 at 5:58 AM, NEETHISH M M <neethishpu.res@...7025...> wrote:
First of all sorry if my question is too simple.I would like to create a melt of combination of two molecules, let us say SiO2 and ZnO. How can I do this with LAMMPS? How will I create the initial structure. Is there any reference available to start such a job? I am struggling hard to start with LAMMPS. Thanks in advance.

​three comments:

a) neither SiO2 now ZnO are "molecules". as any local chemist. thus it is not at all clear what you mean by "melt of combination to molecules".
b) what you are asking about is 1) too vague to give specific advice and 2) not really a question about LAMMPS, but about ​how to plan and set up a simulation and thus considered off-topic for this mailing list. you should discuss that with your adviser/superviser. 
c) if you are struggling to get started with LAMMPS on this kind of project, start with something simpler, e.g. reproduce simpler simulation examples from text books or (review) papers. it is never a good idea to start with a new topic and a new tool at the same time.



Research Scholar
Department of Physics
Pondicherry University

Check out the vibrant tech community on one of the world's most
engaging tech sites,!
lammps-users mailing list

Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.