[gmx-users] Hai Sir !

Mark Abraham Mark.Abraham at anu.edu.au
Wed Dec 17 07:08:34 CET 2008


Venkat Reddy wrote:
> 
> Dear Sir !
> 
> I am Currently running the Simulation of gp120. I got an error in middle 
> of it. It states that "Constraint error in algorithm Lincs at step 
> 19462839 "
> t=38925.684 ps : Water molecule starting at atom 17889 can't be settled. 
> Please consider my problem.

Check out 
http://wiki.gromacs.org/index.php/Errors#LINCS.2FSETTLE.2FSHAKE_warnings

Mark



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