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. fix nvt command but temperature is not constant. how to rectify this problem. please reply assoonas possible.
Thanking you
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).
axel.