[gmx-users] infinite molecule problem

[Bo Zhou]

Dear gmx users,

I want to simulate the solid/liquid interface, so I build an infinite
inorganic molecule with pbc=full first. After I ran the system with vaccum
(at the top of system) for a few ps, I found the crystal oscillating along
the xy plane collectively and frequently, so there were too much
inconsistent shifts. I wonder if it is reasonable, if not, is there any
solution for it? Any suggestions would be helpful. Thanks.