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