[gmx-users] can i put different pressure value on different box side??

Justin A. Lemkul jalemkul at vt.edu
Tue Dec 30 15:36:31 CET 2008

wang kelvin wrote:
> hi ,everyone
> i have two questions.
> first ,can i put different pressure on differnt box side with GMX?

Yes, read about anisotropic pressure coupling.

> second,can i calulate stress or stench with GMX?

Have a look at the "deform" .mdp option.


> any suggestions is apprciated
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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