Dear LAMMPS users,
I am attaching one picture can any body tell ,my system is equilbriate or not?
Dear LAMMPS users,
I am attaching one picture can any body tell ,my system is equilbriate or not?
It looks fine, but this mail list is not a good
place to learn how to do MD, or to seek assurance
from random people that you are doing things correctly.
Steve
Something i believe is worth pointing out from your graph (not really a issue), but i can notice that the temperature drops from a 1000K to 500K immediately and then it goes Up slowly up to 1000K meaning your using a thermostat (probably) , remember the equipartition theorem i.e Half of the energy goes to the kinetic term and half goes to the potential term …
A Salute
Oscar G
Something i believe is worth pointing out from your graph (not really a issue), but i can notice that the temperature drops from a 1000K to 500K immediately and then it goes Up slowly up to 1000K meaning your using a thermostat (probably) , remember the equipartition theorem i.e Half of the energy goes to the kinetic term and half goes to the potential term …
Strictly speaking, this only applies when starting from a fully relaxed structure. Otherwise the opposite might happen (or worse)…