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On 5/09/2011 12:28 PM, zhongjin wrote:
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<div>Thanks for your reply, potential energy is always
large and positive, maybe because the CNT is always
freezed during the simulation process.</div>
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<br>
That would have been a good thing to describe, along with your other
simulation conditions. Giving as much information as you think could
possibly be relevant is much more likely to get a timely solution.<br>
<br>
In your shoes, I would check that my nanotube is stable before I
introduce the electrolyte.<br>
<br>
Mark<br>
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