[gmx-users] error when running NVT equilibrium

Kieu Thu Nguyen kieuthu2212 at gmail.com
Mon Dec 17 14:53:48 CET 2012


Dear All,

I'm practising the tutorial 2a (protein in water) in the MARTINI tutorial.
After doing step 6 (Do a short energy minimization and position restrained
simulation),i carry out running NVT equilibrium. But it appears the error
in the terminal :

Fatal error:
There is no domain decomposition for 2 nodes that is compatible with the
given box and a minimum cell size of 5.2375 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

What can i do to fix this error ?

Thank so much for any advice !

KT



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