GuoGuangjun wrote:

compressibility          = 0.0   4.5e-3

You have set zero compressibility in the x-y direction, so you get...

Box-X 2.94006 0 0 0 0 Box-Y 2.94006 0 0 0 0

Invariant box dimensions. Find the appropriate compressibility value, and you make get a reasonable result.

-Justin

--
========================================

Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
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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