Hello,
I’m running a simulation that is periodic in the x & y dimensions and has fixed hard walls in the z-dimension. These are the only fixes that I use in my input file:
Hello,
I'm running a simulation that is periodic in the x & y dimensions and has
fixed hard walls in the z-dimension. These are the only fixes that I use in
my input file:
____________________________________________________________________________fix 1 all nve
fix 2 all wall/harmonic zlo EDGE 10.0 1.0 1.5 zhi EDGE 10.0
1.0 1.5 units boxfix 3 all langevin 1.0 1.0 1.0 3483920
fix 4 all wall/reflect zlo EDGE zhi EDGE
why do you define *two* wall fixes for the same boundaries? that is
asking for trouble. pick one.
axel.
Why are you using 2 walls in the z-dim. One is
all you need. Fix wall/refelct doesn’t do anything
until the particle is already beyond the wall,
so that won’t help with it being “inside” the wall
for the other fix. If the particles are going “inside”
the harmonic wall it means you either started them
their (can’t do that) or you have bad dynamics.
Ditto for losing an angle atom - that means bad
dynamics,
Steve