[gmx-users] mdrun error
jalemkul at vt.edu
Thu Aug 9 19:43:26 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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