system of an electrolyte.

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1

Basically I want to create a simulation box of an electrolyte system with 1M concentration of KCl.
I am not able to understand that how I can write the code for this.
Where I would have to mention the number of atoms.?

please help me in this regard.

Thanks

varsha

2

You need to create a data file with coords and types of

all your atoms, for input to LAMMPS. See the format

of data files and the Pre/Post page on the LAMMPS website

for tools that create them.

Steve