Dear Axel and Lammps users
I have a question:
how i can be sure that when i use the Energy minimization command the system will be equilibrated? Is there other command?
for example i have take the 250000 run for my energy minimization command and i am not sure if this amount of run will be a guarantee for my system equilibration?
thanks
Mina
Dear Axel and Lammps users
I have a question:
how i can be sure that when i use the Energy minimization command the
system will be equilibrated? Is there other command?
for example i have take the 250000 run for my energy minimization command
and i am not sure if this amount of run will be a guarantee for my system
equilibration?
minimization and equilibration are two different things.
what you are asking about is something that you should discuss with whoever
has taught you doing MD simulations. or read about it in text books on MD.
or both.
determining whether as system is in equilibrium is not always easy. and
most certainly one cannot say up front and in all generality how many steps
it takes.
axel.