Dear Axel,
I have a visualization problem with vmd...
Would you tell me how to use unscaled coordinate dump file with lmp2vmd?
I suppose that original dump file has unscaled data.
But when I used boundary command "m", then the bigger calculation box
becomes, the molecules looks flying away though it should be stationary...
Thank you very much.
Best regards,
Nanako Takahashi
Dear Axel,
dear nanako,
I have a visualization problem with vmd...
Would you tell me how to use unscaled coordinate dump file with lmp2vmd?
I suppose that original dump file has unscaled data.
you have to use an alpha version of VMD to have a corrected
plugin for native formatted lammps dump files. the currently
released version of VMD assumes that you have fractional
coordinates in the dump file (that plugin was not written by
me, btw).
But when I used boundary command "m", then the bigger calculation box
becomes, the molecules looks flying away though it should be stationary...
i recommend to use either .dcd or .xtc format for output.
the scripts in the lmp2vmd directory are specifically
to help building a .psf file for visualization purposes
to go with those files (that contain only coordinates).
cheers,
axel.
Dear Axel,
Thank you very much for your quick reply.
Thanks to your suggestion, I could see trajectories in proper frame with dcd file!
Best,
Nanako
Axel Kohlmeyer wrote: