Large energy fluctuation

From: Sting (stg1979_at_emails.bjut.edu.cn)
Date: Fri Apr 08 2005 - 07:09:07 CDT

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Dear all
   When I performed a MD run with NAMD,every things went well,but when analyzing the energy of the system,I noticed that there was a large fluctuation between every two sequential steps,something like: step VDW energy
                                                                                259970 -226049.7557
                                                                                259980 -38243.0418
                                                                                259990 -226001.2423
                                                                                260000 -38106.4633
 I wonder what I should understand this.
 Any suggestion will be appreciated.

        


　　　　　　　　Sting
　　　　　　　　stg1979_at_emails.bjut.edu.cn
　　　　　　　　　　2005-04-08

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