Hi all,
I still have problems with the nanowire. I tried to cut and relaxe it on z, then I made combinations of relaxing it but the vmd is still broken.
I used this one first:
fix 1 all npt temp 300 300 0.1 iso 0.0 0.0 1000.0
and then
fix 1 all npt temp 300 300 0.1 z 0.0 0.0 1000.0
and
fix 1 all npt temp 300 300 0.1 y 0.0 0.0 1000.0 z 0.0 0.0 1000.0
with the first command of region nanowire prism 0.0 35.088 -1.267 30.39 -2.6137 3049.700 -8.772 0 0
Which else can be the problem?
Isabela