Dear all,
I’m trying to simulate molecule trapped in a 3d tube with changing diameter. The tube wall has a shape x=y=z^a, where a larger/smaller than unity decides whether the wall shape is convex/concave.
( The wall curves slowly, so I do not need to worry about any edge effects.)
I have two possible solutions for the wall restriction in my mind:
First one is using array of fixed atoms to represent the wall.
Second, maybe fix/region command would help. ( I prefer this option if possible)
However, I checked the fix wall and variable command manual but can’t find such a shape.
Anyone has an idea?
Thanks,
Y Wang
Dear all,
I'm trying to simulate molecule trapped in a 3d tube with changing diameter.
The tube wall has a shape x=y=z^a, where a larger/smaller than unity decides
whether the wall shape is convex/concave.
( The wall curves slowly, so I do not need to worry about any edge effects.)
I have two possible solutions for the wall restriction in my mind:
First one is using array of fixed atoms to represent the wall.
Second, maybe fix/region command would help. ( I prefer this option if
possible)
However, I checked the fix wall and variable command manual but can't find
such a shape.
Anyone has an idea?
go with the first option, or grab a text editor and program your
custom fix wall/tube into LAMMPS.
axel.