[gmx-users] MARTINI crushing

James Starlight jmsstarlight at gmail.com
Thu Apr 14 08:49:24 CEST 2016

Dear Gromacs Users!

I faced with the problems while simulating of big MARTINI system of
membrane protein complex within big membrane consisted totally of 55k
martini CG atoms.

On the early stage of the NPT equilibration I have a error

Program g_mdrun_openmpi, VERSION 4.5.7
Source code file:
/builddir/build/BUILD/gromacs-4.5.7/src/mdlib/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

does the problem is related to paralelization or smth wrong with
setup? Amazing that on the same system without Elnedyn applied I have
no such promlems at ell.

Thanks so much for help!


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