[gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...
Chang Woon Jang
changwoonjang at gmail.com
Tue Aug 30 00:03:01 CEST 2016
Dear Gromacs Users,
I have a Fatal error as follow. The error says -rdd option or -ddcheck. How
can I properly use these options? Is the following command the proper use
of these options?
> gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5
1 of the 1612 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the GROMACS
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