[gmx-users] MD run error

[Mishelle Oña]

Hi,

I got this error. Can anyone explain me what it means.

WARNING: This run will generate roughly 10571 Mb of data

starting mdrun 'UNITED ATOM STRUCTURE FOR MOLECULE LIG in water'
10000000 steps,  20000.0 ps.

NOTE: Turning on dynamic load balancing


DD cell 3 0 0: Neighboring cells do not have atoms: 30

DD cell 5 0 0: Neighboring cells do not have atoms: 41

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Program mdrun, VERSION 4.6.5
Source code file: /build/buildd/gromacs-4.6.5/src/mdlib/domdec_con.c, line: 722

Fatal error:
DD cell 3 0 0 could only obtain 16 of the 17 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 or use the -rcon option of mdrun.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
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Mishelle