Hi ALL,
I am running a protein+lipid+water+ions simulation using GROAMCS4.5.5
(compiled with intel compilers on RedHat OS). The EM, NVT and few thousand
steps of NPT ran fine beforw throwing up the following error:
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Not all bonded interactions have been properly assigned to the domain
decomposition cells
A list of missing interactions:
Bond of 36787 missing 2
U-B of 70200 missing 3
Proper Dih. of 124764 missing 6
LJ-14 of 98070 missing 12
exclusions of 277654 missing 9
-------------------------------------------------------
Program mdrun_mpi, VERSION 4.5.5
Source code file: domdec_top.c, line: 173
Software inconsistency error:
Some interactions seem to be assigned multiple times
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Why is this error coming? Is it a bug?
Any suggestion is welcome.
Thanks and regards,
Anirban
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