[gmx-users] Regarding .mdp files.

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jun 11 10:33:09 CEST 2012

On 11/06/2012 6:21 PM, Seera Suryanarayana wrote:
> Dear all gromacs users,
>                                While i am running the commond "mdrun 
> -v -deffnm em" iam getting the following error.
>                          Fatal error:
>                                         Domain decomposition does not 
> support simple neighbor searching, use grid    searching or use 
> particle decomposition.
> kindly tell me how to overcome.

As I said last time, "there is no substitute for reading about the 
algorithms and .mdp options in the GROMACS manual". The above is an easy 
issue to read about and resolve - if you can't or won't do that, then 
you will face insurmountable barriers later. More, you will have 
exhausted the patience of people who might help you, because they have 
seen you make dozens of posts that make it easy to suppose that you are 
not trying to do background reading in order to learn enough to be able 
to solve your own problems.

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