[gmx-users] Dear Sir

Justin Lemkul jalemkul at vt.edu
Thu Jun 27 13:49:33 CEST 2013

On 6/27/13 5:59 AM, Sathish Kumar wrote:
> Fatal error:
> [ file spc.itp, line 32 ]
> Atom index (1) in bonds out of bounds (1-0).
> This probably means that you have inserted topology
> section "settles" in a part belonging to a different
> molecule than you intended to. in that case move the
> "settles" section to the right molecule
> the above error i am getting while running grommp command for membrane
> simulation. I made up the correct topology file.Here i used tip3p
> water model. But why this error coming i did not understood. Can you
> please clarify and suggest how to overcome this error.




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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