[gmx-users] The spacing of the decimal points in file is not consistent

[Justin Lemkul]

On 3/1/17 2:00 PM, Karchevskaya, Anastasia wrote:
> Dear GMX users,
>
> I have already checked the archive but the solution provided didn’t work for me. I am trying to simulate the membrane assembly/rafts/behaviour using gromacs and martini force field. So, using Martini and their tool called insane, I could assemble a complex membrane with the different lipids proportions:
>
>
> Now I am trying to create a box and assemble a piece of experimental membrane. If I understand it right this must be done either with gmx solvate or gmx insert-molecules. But when I run either of those I get (same for solvate):
>
> Program:     gmx insert-molecules, version 2016.2
> Source file: src/gromacs/fileio/groio.cpp (line 165)
>
> Fatal error:
> The spacing of the decimal points in file memTestInsane.gro is not consistent for
> x, y and z
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
> -------------------------------------------------------
> Program:     gmx solvate, version 2016.2
> Source file: src/gromacs/fileio/groio.cpp (line 165)
>
> Fatal error:
> The spacing of the decimal points in file memTestInsane.gro is not consistent for
> x, y and z
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
> How can I fix that? What am I doing wrong?
>

Check your .gro file contents against the fixed format specifications:

http://manual.gromacs.org/documentation/2016.2/user-guide/file-formats.html#gro

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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