[gmx-users] Regarding errors.

Mark Abraham Mark.Abraham at anu.edu.au
Fri May 18 08:49:29 CEST 2012


On 18/05/2012 4:43 PM, Seera Suryanarayana wrote:
>
> Dear all,
>             While i am running gromacs software i am getting following 
> error.Let me know how to over come that error
>
> Fatal error:
> number of coordinates in coordinate file (208L_ion.gro, 62283)
>              does not match topology (208L.top, 62293)

The number of coordinates must match. See discussion of the [molecules] 
section in chapter 5 of the manual. That's probably what you should fix, 
probably with the number of solvent and ion atoms changing. genion -p 
will do this for you if you tell it to do so.

Mark



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