[gmx-users] infinite molecule problem

Bo Zhou zhoubo81 at gmail.com
Sun Apr 6 09:58:38 CEST 2008

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.

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