[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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