Hi dear all
I want investigate water transport properties through multilayer graphene using MD simulation with lammps.
I want to put a box of water above the top of the two graphene layer. I made the data of this configuration. But I encounter an error in input file. I have a problem with this file. My input file is attached.
Please explain the line by line and in detail, because I am novice and unskilled
Many thanks.
graphene.data (433 KB)
system.in (1.14 KB)
Hi dear all
I want investigate water transport properties through multilayer graphene
using MD simulation with lammps.I want to put a box of water above the top of the two graphene layer. I
made the data of this configuration. But I encounter an error in input
file. I have a problem with this file. My input file is attached.Please explain the line by line and in detail, because I am novice and
unskilled
please note, that being new to using LAMMPS and inexperienced does in *no
way* entitle you in getting a personal tutoring.
on the contrary, as a beginner you are expected to work extra hard in
finding solutions to your problems *on your own*.
the LAMMPS documentation is extensive and very detailed. it may require
multiple readings to understand it well enough. also, please keep in mind,
that a software manual is similar to an operations manual of a car: it will
tell you where all the knobs, dials and switches are and what they are for,
but it will not teach you how to drive. you need to learn that separately
(best before starting a research project). it is the responsibility of an
adviser/supervisor to tutor you on the basics of MD simulations. as has
been expressed here many times, this is a mailing list is not a classroom.
a quick look at your input deck exhibits *lots* of problems. syntax errors,
incorrect reads on the documentation, confusing naming, and - most
worrisome - severe conceptual errors.
thus i *strongly* encourage you to postpone working on your research
project, but instead learning how to set up and do simpler systems and
reproduce published results first, e.g. simple bulk atomic syste, e.g.
liquid argon, a bulk water system, a water droplet, a single graphene
sheet, a multi-stack graphene system, and only after you have mastered all
of these simulations well, you should continue on your research project.
otherwise you are likely to waste a lot of time, both your own and that of
people trying to help you.
please also consider in future posts to this e-mail list, that responses
are given by people volunteering there time, thus make certain to only ask
specific questions and document, that you have properly researched the
available documentation material and the mailing list archive and come up
empty (the error you reported earlier can be easily avoided by paying close
attention to the documentation, and even an unskilled beginner should be
able to follow the documentation). otherwise there will be a good chance,
that your future posts may be ignored.
axel.