[gmx-users] gmx rdf not reading gmx checked trr file.

[Jones de Andrade]

Hi all.

I'm having a problem with gmx rdf in some trajectories of mine.

I'm dealing with several mixtures of two solvents in different concentrations. While I was dealing with the "non-infine dilutions", or when I had several molecules of each, gmx rdf calculated the rdfs with no error.

Now, I'm having the following error, only in trajectories where I have one molecule of one solvent and 999 of the other. I also would like to point out that I tested gmx check on the trajectories in question, with absolutely no failure identified in the trr files.

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Program:     gmx rdf, version 2018
Source file: src/gromacs/trajectoryanalysis/runnercommon.cpp (line 228)
Function:    void gmx::TrajectoryAnalysisRunnerCommon::Impl::initFirstFrame()

System I/O error:
Could not read coordinates from trajectory

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

##############################

Does anybody have an idea on what is going wrong?

Thanks a lot in advance.
-- 
Jones de Andrade
(jdandrade at iq.ufrgs.br)
DFQ/IQ/UFRGS
Lattes: http://lattes.cnpq.br/6675936210583999
Orcid: https://orcid.org/0000-0003-3429-8119

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