[gmx-users] what's "inconsistent shifts"?

Xu ZhiPing xzp02 at mails.tsinghua.edu.cn
Sun Jan 11 04:34:01 CET 2004

Dear all:
	I am now using GMX 3.1.4 to simulate a periodic system of CNT, and I following the em-md procodure, but I the log file, I found warning like
" There were 60 inconsistent shifts. Check your topology. ", I do not know what's the meaning of "inconsistent shifts", so I search all the posts before, some similar posts were found, but I still do not know how to solve this, I have relaxed my simulation box.
	Can anyone help me and tell me what's the meaning of  "shifs", and will and how this "shifts" affect the simulation results? or just a fussy warning?

	Thanks a lot.


Xu ZhiPing
Ph.D Candidate
Room: 3405, Phone: 86-10-627-83814
Department of Mechanics,
Qinghua University, Beijing, CHINA

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