how set up walls contacting polymer

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1

Hi LAMMPS users:

I have a polymer confined by two fcc walls. I want to keep their fcc configurations during MD so I tried the fix spring/self to bond wall beads to their lattice sites. But the problem is this will keep the walls staying at their original locations rather than adjusting positions according to polymer/wall interactions (LJ potential). So what would be a better setting to fulfill both requirements? Thanks.

Shaorui

2

Hi LAMMPS users:

I have a polymer confined by two fcc walls. I want to keep their fcc
configurations during MD so I tried the fix spring/self to bond wall beads
to their lattice sites. But the problem is this will keep the walls staying
at their original locations rather than adjusting positions according to
polymer/wall interactions (LJ potential). So what would be a better setting
to fulfill both requirements? Thanks.

how about using fix aveforce?

axel.