[lammps-users] Visualisation of Triclinic systems - VMD

I’m not sure whether I should post this on this list or the VMD mailing list.

I have been visualising my LAMMPS simulations using VMD, selecting the LAMMPS
trajectory option.
However, I am now looking at systems in a triclinic box. But I get the following message:

lammpsplugin) Found trajectory with triclinic box. Periodic display will not be correct and scaled coordinates are not supported.
lammpsplugin) New style dump with 5 data fields. 0x82
lammpsplugin) Scaled coordinates with triclinic box are not (yet) supported.
ERROR) molecule_structure: Unable to read structure for molecule 0
Info) Using plugin lammpstrj for coordinates from file ~/Models/alumina/newalumina/lammps.alum.dump
rlwrap: warning: vmd killed by signal 11 - rlwrap will now kill itself with the same signal
Segmentation fault

I was wondering if there are any updates that have fixed this problem within VMD, or if there are any alternative ways to visualise my simulations that have this type of symmetry.

Thanks,
Michael Doig.

I'm not sure whether I should post this on this list or the VMD mailing
list.

doesn't make a difference in this case.
i would be the only person answering either way. :wink:

[...]

I was wondering if there are any updates that have fixed this problem within
VMD, or if there are any alternative ways to visualise my simulations that
have this type of symmetry.

i cannot talk about alternatives, but about VMD.
if you can make it that a day has 48hours, than it will be fixed soon.

i am well aware of it, but unfortunately (for you) this feature is currently
ranking rather low on my TODO list, since there is no urgent need by
anybody i am collaborating with.

hower, those folks do need to run LAMMPS as fast as possible, so i'm
devoting most of my "development time" to speeding up LAMMPS
in any way that is portable and improves scaling to a large number
of processor core (as an aside, since last night, the LAMMPS-ICMS
branch has integrated the single precision FFT support that phil blood
wrote over two years ago for 5-15% speedup for inputs using PPPM
on top of the other speedups through local code refactoring and
OpenMP/MPI hybrid parallelization).

it should not be too difficult to add variable cell support to the existing
lammpsplugin code or make the dcd dump plugin compatible with it.

cheers,
    axel.