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Re: [lammps-users] lammps

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 4 Nov 2017 03:19:31 -0400

On Fri, Oct 27, 2017 at 3:22 AM, Sugan Ya <convey2sugan@...92......> wrote:
Respected Sir,
    I am working in lammps. now only installed lammps. Reax ff example based prblems run in lammps.
i get log file. how to analysis the log file.

​please discuss with your adviser about how to get tutored in how to analyze​ MD simulations.
this is not something that can be easily taught via e-mail.
fix nvt command but temperature is not constant. how to rectify this problem. please reply assoonas possible.

​the problem is in your (lack of) understanding of statistical thermodynamics and how temperature on the microscopic scale differs from the macroscopic scale.
this has been discussed (too?) many times on this very mailing list, and you will find ​those discussions and explanations in the mailing list archives (or a text book).


                                               Thanking you


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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.