[gmx-users] Regarding error.
Justin A. Lemkul
jalemkul at vt.edu
Mon Jun 11 12:15:43 CEST 2012
On 6/11/12 4:37 AM, Seera Suryanarayana wrote:
> 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.
Mark has already addressed this issue:
You will either need to make a suitable change to the .mdp file or to the mdrun
command line, both of which are suggested in the error message.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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