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

David spoel at xray.bmc.uu.se
Sun Jan 11 10:05:01 CET 2004

On Fri, 2003-01-10 at 04:32, Xu ZhiPing wrote:
> 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?
What kind of system is this? What is CNT?

By the way, your computer's date is a year behind.

> 	Thanks a lot.
> ZP
> -----------------------------------------------
> Xu ZhiPing
> Ph.D Candidate
> Room: 3405, Phone: 86-10-627-83814
> Department of Mechanics,
> Qinghua University, Beijing, CHINA
> -----------------------------------------------
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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