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 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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• Previous message: Hopkins, Robert: "RE: [AMBER] Running PTRAJ command line scripts in background"
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