[gmx-users] g_mindist error "Cannot open file with NULL filename string"

[Mark Abraham]

Hi,

That looks like some kind of bug in mindist. Does an earlier version work
for you? Are you able to upload a report for us at
https://redmine.gromacs.org?

Thanks

Mark

On Tue, Sep 25, 2018 at 3:30 PM ABEL Stephane <Stephane.ABEL at cea.fr> wrote:

> Hi All,
>
> I would like to use g_mindist (vGMX2018.2) to compute the number of total
> contacts between each residue of a protein and surfactant molecules. For
> this I use the following command
>
>  gmx_mpi mindist -f myXTC.xtc -s MYPDB.pdb -n MYNDX.ndx -b 200000 -e
> 215000 -dt 4 -d 0.4 -respertime -printresname -group -od
> Protein_AlkylChain_Contact_min_res.xvg -on
> Protein_AlkylChain_Contact_Number.xvg < Protein_AlkylChain.txt
>
>
>  I obtain the following fatal error, Why ?
>
>  -------------------------------------------------------
> Program:     gmx mindist, version 2018.2
> Source file: src/gromacs/fileio/gmxfio.cpp (line 345)
>
> Fatal error:
> Cannot open file with NULL filename string
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> Please note I also would like that each contact between each residue and
> surfactant atoms is counted as one. Is this possible with the command above
> ?
>
> Thanks for you help,
>
> Stéphane
>
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