Regarding Lammps trajectroy

[Aashish Bhatt]

Dear MDAnalysis group,

I have encountered while attempting to use MDAnalysis for analyzing LAMMPS MD trajectories. I would greatly appreciate your assistance in resolving this matter.

I am trying to load a trajectory file in the LAMMPS dump format (format="lammpsdump"), along with a corresponding topology file (v2.data).

u = mda.Universe('v2.data', 'data.production2.lip.lammpstrj',
                 topology_format="data", format="lammpsdump", atom_style='id resid type x y z',guess_bonds=True)

However, I consistently encounter the following error:This error occurs when MDAnalysis attempts to read lines from the trajectory file, suggesting that the number of values in each line does not match the expected format.

ValueError: too many values to unpack (expected 5)

I would greatly appreciate any guidance or assistance you can provide in resolving this issue. I look forward to your response and assistance.

Reagards,

Aashish

[Oliver Beckstein]

Hello Aashish,

The Google Group is retired and ony open for archival purposes. Please ask your question in the forum at https://github.com/MDAnalysis/mdanalysis/discussions

Thanks,

Oliver

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[Aashish Bhatt]

Thank you for the reply.

To view this discussion on the web visit https://groups.google.com/d/msgid/mdnalysis-discussion/21F2179D-B7C4-4405-854F-C8D7C70ADB15%40mdanalysis.org.

[Richard Gowers]

Hi Aashish 

That’s a confusing error as it looks like it expects 5 values but the style you provide has 6 fields. Can you post a small example trajectory to help us debug this?

Thanks 

Richard