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Re: [lammps-users] system of an electrolyte.
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Re: [lammps-users] system of an electrolyte.


From: Steve Plimpton <sjplimp@...24...>
Date: Thu, 17 Aug 2017 07:54:04 -0600

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

On Mon, Aug 14, 2017 at 6:55 AM, R. Varsha <varsharani.0909@...24...> wrote:
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

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