Dear Sir,
I am currently performing MD simulation
-- using a prismatic box (hc lattice converted to prismatic box)
-- with periodicity boundary conditions
-- with a tilt compatible with the documentation (very inferior to half
the length of the box)
As I run the simulations, the atoms goes to infty.
When I do the same simulation, using a bigger orthogonal box,
that works.
With that observation, I have the following questions
(1) When using a prismatic box under periodic conditions (I use a
prismatic one because my lattice is hexagonal). Does the periodicity takes
into account the shape of the box or do I have to add a command?
(2) Is my question (1) pertinent with the fact that the program does not
work. Or do you have an idea why does it bug?
I thank you for your answer.
Sincerely yours
E. Lernout