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.
-Justin
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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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