[gmx-users] LINCS WARNING

[Qiang Zhong]

Hellow :
    I am runing a MD of protein. Now I see some warning message on screen,I don't
know how to understand it , Could somebody tell me about it? Thank you very much!

bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    931    932   33.0    0.1001   0.1000      0.1000

Step 1535921, time 3071.84 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 0.001443 (between atoms 931 and 932) rms 0.000050
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    931    934   30.5    0.1001   0.1000      0.1000

Step 1535922, time 3071.84 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 0.001952 (between atoms 931 and 933) rms 0.000062
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    931    934   35.2    0.1000   0.1000      0.1000

Step 1535923, time 3071.85 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 0.001902 (between atoms 931 and 933) rms 0.000060
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    931    934   33.4    0.1000   0.0999      0.1000
..........


What happen with it,Is this harm to my result? 




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Qiang Zhong
Key Lab of Agricultural Animal Genetics, Breeding and Reproduction of Ministry of Education 
College of Animal Sciences and Technology 
Huazhong Agricultural University
Wuhan,Hubei, 430070
PR China