can you please explain me the cause for the following data mismatch.
When I was simulate the polymer chain behavior in LAMMPS tutorial files in two different systems i am getting the large variation in the data which was printed in log file.None of those values were match with the tutorial log file given in tutorial.
Here I am attaching those two different log files generated in different systems
log.PE_cl100 springdale.txt (14.5 KB)
log.PE_cl100.txt (9.19 KB)
can you please explain me the cause for the following data mismatch.
When I was simulate the polymer chain behavior in LAMMPS tutorial files in
two different systems i am getting the large variation in the data which was
printed in log file.None of those values were match with the tutorial log
file given in tutorial.Here I am attaching those two different log files generated in different
systems
why should they not be leading to diverging trajectories considering
that you use a thermostat which introduces a brownian dynamics
component. but then again, they do seem to be sampling the same
section of phase space as they should.
please have a look into your favorite text books on MD and statistical
mechanics to better understand the differences between instantaneous
properties and ensemble averages and why MD is at its core a chaotic
system.
axel.