Dear all,
Could you please explain how to calculate the force by using fix smd in the attached input file. The system contains 1 atom (1, 1, 1) in 3D periodic box
Dear all,
Could you please explain how to calculate the force by using fix smd in the
attached input file. The system contains 1 atom (1, 1, 1) in 3D periodic box
what force?
with one atom??
what does it interact with???
axel.
Dear Axel,
I don’t know I understand right or wrong.
Following a previous question answered by you. I only want to check fix smd with the system with one atom. I have pulled the atom in z direction by using smd and want to calculate force in z direction f_2[3]
this is my input and the result
Dear Axel,
I don't know I understand right or wrong.Following a previous question answered by you. I only want to check fix smd
with the system with one atom. I have pulled the atom in z direction by
using smd and want to calculate force in z direction f_2[3]
this is my input and the result
i saw your input the first time.
it is a pointless input.
other than that. the fix smd documentation tells
you what the number stand for. i don't understand
what else you want to compute here.
axel.