[gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology

Mark Abraham Mark.Abraham at anu.edu.au
Fri Aug 10 09:41:06 CEST 2012


On 10/08/2012 5:28 PM, leonines wrote:
> hello justin,
> I got one more error, please help me out again.
>   
> I got the em.gro instead of confout.gro. I reached an area per lipid of ~52
> Å2
> for POPE bi layer.
> Next i tried to  add ions to the system after solvating with water. i get
> the
> following error.
>   
> Program grompp, VERSION 4.5.4
> Source code file: /build/buildd/gromacs-4.5.4/src/kernel/grompp.c, line: 523
>   
> Fatal error:
> number of coordinates in coordinate file (PRO_POPE_sol.gro, 101878)
>               does not match topology (topol.top, 19707)
>   
> Is this difference in the number of atoms due to error in solvating.
> I haven't got this error before.please suggest me what went wrong.

Did you follow the link it gave you in the error message? This error 
means exactly what it says.

Mark



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