Create files in LAMMPS.

Hello…!

I am working on molecular dynamics simulation by using LAMMPS software. I am new on LAMMPS.

Here I have attached two files.

Can you tell me that …how I can create these files in LAMMPS.??

bulk_solution.lammps (777 KB)

in.simulation (2.18 KB)

you need to start by reading the manual. http://lammps.sandia.gov/doc/Section_commands.html

in.simulation is the input script that you need to create (not created by LAMMPS)
bulk_solution.lammps is the data file, you need to create this as well (not created by LAMMPS also)

you can search for “how to make lammps data file” in google. This kind of questions have been asked many times.
e.g. the following thread
http://lammps.sandia.gov/threads/msg31422.html

Dear Varsha,

What do you mean precisely about creating your files?
First of all, you should have a background in MD. Afterwards, you should start to learn about different commands and features in LAMMPS.
For this, check the LAMMPS website carefully. Specially:

You can also access to all these after installing the LAMMPS on your PC in a PDF format with the name of “LAMMPS-Manual.pdf”.
And about your 2 attachments: one of them is your script. you should prepare it according to LAMMPS commands and framework. You can interpret each command of it by the LAMMPS Manual (or the above addresses). The next file is your system configuration. You can define it directly into your script; or use a separate software for it (such as VMD) and then invoked it by “read_data” command.
I hope I understand what you mean and could be helpful.

Nader