[gmx-users] Pressure Coupling Problmes

Albert Sun albert_sun9 at yahoo.com
Thu Oct 16 18:20:01 CEST 2003

Dear users,

I have two inquiries on pressure coupling.

1) when apply surface-tension, I should observe that all molecules inside box are moving in designed direction, however, I only see movements of molecules on surface of the box.   

2) When apply anisotropic pressure in xy/yx direction, and set the off-diagonal compressibility are not to zero, I should observe the box will deform and skew, however,  the box still stays rectangular, even I adjust the pressure to a large number.

would appreciate if you advise me why?




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