Is energy minimization always necessary?
No it is not always necessary
If the initial configuration is close to equilibrium and there is no much energy to be removed from the system someone can skip this step
Also an alternative is to run a simulation using nve/limit
hope that helps
Evangelos
Στις Τετ, 27 Οκτ 2021 στις 8:31 μ.μ., ο/η Dar Javeed <[email protected]> έγραψε: