I am trying to equilibrate the polymer melt confined between two walls.
After a few runs the polymers blow out of the simulation box.
Small time steps, gradual increase of amplitude of the soft potential doesn’t help.
Here is the input file and data file. This same script with
“boundary p s p” works very nice. But since we are interested in confined
the fluid from all sides we use “p s s” and as soon as we apply this the melt
blows out of the simulation cell. Any input will be appreciated.
wall.data (276 KB)
equil.in (1.56 KB)