[gmx-users] Regarding error.

Seera Suryanarayana palusoori at gmail.com
Mon Jun 11 10:37:38 CEST 2012


Dear Justin sir,
                     I am simulating a protein 1AKI.pdb which is example of
your tutorial.I am doing simulations as your tutorial.I didnt get any
errors upto the commond "grompp -f minim.mdp -c 1AKI_solv_ions.gro -p
topol.top -o em.tpr".After this as your tutorial i used the commond " mdrun
-v -deffnm em", then i got 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 this error.


Suryanarayana Seera,
JRF,
India.
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