Questions for using Lammps

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1

Dear Steven,

I am a graduate student of solution chemistry, and I am trying to do some research on thermodynamic
properties(mainly involving Gibbs energy) of electrolyte aqueous by Molecular Dynamic Method.
As a new comer of Lammps community, I urgently want to know if Lammps can do this kind simulation.
Could you give me an answer? I am looking forward to your reply!

Sincerely yours,
Lidongdong

Li dongdong

Graduate Student

Qinghai Institute of Salt Lakes, Chinese Academy of Sciences.

Xinning Road 18#, Xining, Qinghai, Peoples Republic of China.

2

If you are asking if you can compute free energies with LAMMPS,
then yes, people do that. However that is a broad questions and
there are many methods for doing it for different systems. Some
require additional work by use beyond running an MD simulation.
So you have to be more specific.

Steve