AMBER Archive (2009)

Subject: [AMBER] no equilibrium

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Dear all,

 I am doing simulation about water conduction through carbon nanotubes .Periodic boundary and TIP3P water are used, but no matter how long I simulate ,there no equilibrium ,because most water molecules become very dispersive and go far away ,even out of sight .I don¡¯t know what is wrong ,can anybody give me some advice ?Thanks in advance!

Nancy

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