Hello Dear
I want to pull out a graphene sheet from a polymer matrix .
To do this, I used a command “fix smd” what command should I use to calculate the force and energy pull out?
Can you help me with this?
Thankyou very much
Hi,
According to the documentation:
“This fix computes a vector list of 7 quantities, which can be accessed by various output commands. The quantities in the vector are in this order: the x-, y-, and z-component of the pulling force, the total force in direction of the pull, the equilibrium distance of the spring, the distance between the two reference points, and finally the accumulated PMF (the sum of pulling forces times displacement).”
meaning that this fix calculates the force for you already.
Best,
Simon