[gmx-users] Error: see option -rdd, for pairs and tabulated bonds also see option -ddcheck

gromacs query gromacsquery at gmail.com
Mon Mar 9 12:54:30 CET 2015


Hi All,

I am doing CG membrane with protein. After running long simulation I am
getting this error:

Fatal error:
2 of the 13319 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.4 nm) or the two-body cut-off distance (1.4 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the GROMACS



I could not find this on google. Should I restart with something like -rdd
2 or so? I am just wondering how it will influence my overall calculations?
I think it will reduce ns/day? or is there any serious energy related
issues?

Thanks,
JIom


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