[gmx-users] Fatal error: A coordinate in file box.gro does not contain a '.'

[Justin Lemkul]

On 8/29/19 11:28 AM, Edjan Silva wrote:
> This error occurred while typing the following command:
>
> gmx solvate -cp box.gro -cs spc216.gro -o box_sol.gro -p topol.top
>
> basically what happened was that all the coordinates that were in my
> box.gro file were replaced by the word "-nan".
>
> I've never seen anything like this. can anyone tell why this error occurs?
How did you create box.gro? What are its contents? What solvate is 
telling you is that the file is misformatted or contains junk instead of 
coordinates.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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