[gmx-users] Center of Mass removal in a specified direction

Bert bert.ustc at gmail.com
Tue Oct 26 13:26:07 CEST 2010

Dear gmx-users,

It is known that if system have an absolute reference, the removal of
COM could lead to artifacts. However, for instance, when one water
slab adsorbs on a freezed, infinite graphite surface, the COM motion
is still free in x or y direction, and subsequently leads to net flows
during long time simulations. I wanna know if there is a solution for
this case. Any suggestions will be appreciated.

Best regards,

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