[gmx-users] mdrun error

[Justin Lemkul]

On 8/9/12 1:40 PM, Shima Arasteh wrote:
> Dear gmx users,
>
> Would be this error (as you see here) a symptom of blowing up of a system? Or just .mdp options should be changed?
>
> Fatal error:
> 1 of the 16625 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (0.817695 nm) or the two-body cut-off distance (1 nm), see option -rdd, for pairs and tabulated bonds also see option -ddcheck
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
>

Any time something moves too far, it's a case of blowing up.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================