[gmx-users] 'SHAKE' : gromacs 4.0.7

[Ramachandran G]

Hello gromacs users:
        I installed the new version of gromacs and tried to run 'mdrun_mpi'
in parrallel but it gives the error pasted below.
When i switched the constrain from 'shake'  to 'lincs' it runs.   I know
'shake' algorithm compilation was done but i don't why
i am getting this error.  The error does not arise when i run it in serial.
Any help will be highly appreciated.

----------------------------------------------------------------------------------
Program mdrun_mpi_d, VERSION 4.0.7
Source code file: constr.c, line: 830

Fatal error:
SHAKE is not supported with domain decomposition and constraint that cross
charge group boundaries, use LINCS
----------------------------------------------------------------------------------------------

best,
Rama
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