[gmx-users] gromacs query
anushritripathi at gmail.com
Mon Oct 31 20:00:06 CET 2011
I m using gromacs 4.5.3 version and trying to simulate a protein in liquid
media but I found problem in eqilibration step especially when I give
mdrun -deffnm nvt
.After giving this command it is showing error,i.e.,
There is no domain decomposition for 4 nodes that is compatible with the
given box and a minimum cell size of 9.02659 nm
Change the number of nodes or mdrun option -rdd or -dds
Look in the log file for details on the domain decomposition.
What should I do now.Please suggest me.I tried above options also.
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