I am performing simulated annealing on deposition graphene on a substrate using NVT. However something doesnt feel right because the box is rotating while temperature increase. What is causing this rotation (atoms or box?). But it appears that the deposition is ok just it keep rotating. I attached with the trajectory file at http://www2.fizik.usm.my/tlyoon/700.lammpstrj
Regards
min
I am performing simulated annealing on deposition graphene on a substrate
using NVT. However something doesnt feel right because the box is rotating
while temperature increase. What is causing this rotation (atoms or box?).
from visualizing your trajectory it looks like
you have your simulation cell incorrectly defined
if you had a proper surface, the rotation would
be impossible due to pbc, but your periodicity
in x-direction is off and thus allowing the system
to rotate around the y-axis and thus rendering
your trajectory useless.
axel.