Hello all,

i am working on a protein complex. I have opted simulation analysis for some specific analysis of my complex. For which i have generated a system for complex in water having 10 molecules of ethylene. Energy minimization was proper followed by a proper equilibrium (1000 ps) step. But when started the mdrun (50 ns), i am stuck at this error. Kindly help me in troubleshoot.

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Program mdrun_mpi, VERSION 4.6.2

Source code file: /app/ccda/gromacs-4.6.2/src/mdlib/domdec.c, line: 6790

Fatal error:

There is no domain decomposition for 120 nodes that is compatible with the given box and a minimum cell size of 3.2025 nm

Change the number of nodes or mdrun option -rcon or -dds or your LINCS settings

Look in the log file for details on the domain decomposition

For more information and tips for troubleshooting, please check the GROMACS

website at http://www.gromacs.org/Documentation/Errors

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