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?
------------------------------
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
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
