[AMBER] no equilibrium

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From: Nancy <nancy4619.163.com>
Date: Tue, 19 May 2009 03:32:01 +0100

Dear all,
I am doing simulation about water conduction through carbon nanotubes.Periodic boundary and TIP3P water are used,but no matter how long time i simulate ,it seems that there is no equilibrium ,some of water molecules enter carbon nanotubes ,most of them become more and more dispersive and go far away ,even some of them out of sight. I don't know what is wrong.can anybody give me some advice? Thanks in advance!
Nancy

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Received on Wed May 20 2009 - 17:24:36 PDT