AMBER Archive (2009)

Subject: [AMBER] How to jude whether the trajectory is stable or not

From: Jeffrey (jeffry20072008_at_yahoo.cn)
Date: Thu Feb 12 2009 - 20:33:53 CST

Dear all,

    I'd like to jude whether I have produced a stable trajectory under CPT ensemble. Could someone please tell me how to judge? By monitoring the energy terms, temperature, pressure, density, box length etc. during the simulation course?

Thanks very much.
Have a nice day.

-----
Jeffrey

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