[gmx-users] mdrun error

Lovika Moudgil lovikamoudgil at gmail.com
Sat May 17 07:30:33 CEST 2014


Hi Everyone ....
I need some help. With my mdrun command I am getting this following error  .

Program mdrun, VERSION 4.6.5
Source code file:
/home/itlab/Documents/gromacs/gromacs-4.6.5/src/mdlib/domdec_con.c, line:
722

Fatal error:
DD cell 0 0 1 could only obtain 1 of the 2 atoms that are connected via
constraints from the neighboring cells. This probably means your constraint
lengths are too long compared to the domain decomposition cell size.
Decrease the number of domain decomposition grid cells or lincs-order.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

Please help me to understand this error.What this error is all about ?
Where should I search to resolve this error ?

Thanks
Lovika


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