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I am trying to load a trajectory, in the form of a .trj file into VMD. VMD loads my inital .xyz molecule fine. But when I try to load into the molecule my .trj file (with Gromacs TRJ trajectory file type), I get an error with this message:

 Info) Finished with coordinate file C:/Users/jason/Music/xtb-6.7.1/bin/dpg10o.xyz. gromacsplugin) Cannot read header fromm 'C:/Users/jason/Music/xtb-6.7.1/bin/xtb.trj', no error ERROR) Could not read file C:/Users/jason/Music/xtb-6.7.1/bin/xtb.trj

I'm not sure how to interpret or fix this. I haven't edited my trj file at all, but for context the first few lines look like this

 113 energy: -16.484252235883 gnorm: 0.039332692881 xtb: 6.7.1pre (5071a88) C -4.93012905979644 5.37267512985516 0.36141393604111 C -3.46038447713503 4.95431942341565 0.39950736100443 C -3.32678038546024 3.43568034706478 0.27214253497926 O -5.06938334653434 6.78283856144118 0.43553823108549 H -5.45097788395057 4.93657744699546 1.22008922328533 H -5.41680662266953 5.01268181106857 -0.55142422120144 O -2.86021844183411 5.43876947965073 1.59968749532715 H -2.93645087179552 5.45635138921215 -0.42936584693961 C -6.37941964495590 7.23573241027250 0.10877982347234

and it just repeats similarly to this throughout the file.

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  • $\begingroup$ Can you upload the traj file and xyz file? $\endgroup$ Commented Nov 5, 2024 at 22:05
  • $\begingroup$ I don't know how to upload files here. I can copy paste parts of them if that's sufficient $\endgroup$ Commented Nov 5, 2024 at 22:17
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    $\begingroup$ Just load only the trj file, there is no need to add it to a molecule already loaded (the trj file is just a sequence of xyz files). $\endgroup$ Commented Nov 6, 2024 at 12:42

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