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------- To view the trajectory in VMD --------
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1) Build a PSF file for use in viewing with VMD.
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This step works with VMD 1.9 and topotools 1.2.
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(Older versions, like VMD 1.8.6, don't support this.)
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b) Menu Extensions->Tk Console
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(I assume that the the DATA file is called "system.data")
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topo readlammpsdata system.data full
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animate write psf system.psf
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Later, to Load a trajectory in VMD:
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Select menu: File->New Molecule
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-Browse to select the PSF file you created above, and load it.
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(Don't close the window yet.)
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-Browse to select the trajectory file.
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If necessary, for "file type" select: "LAMMPS Trajectory"
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----- Wrap the coordinates to the unit cell
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b) Load the trajectory in VMD (see above)
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c) Menu Extensions->Tk Console
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DISCLAIMER: I'M NOT SURE THESE COMMANDS ARE CORRECT.
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LOOKUP "pbctools" FOR DETAILS.
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pbc wrap -compound res -all
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3) Optional: If you like, change the atom types in the PSF file so
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that VMD recognizes the atom types, use something like:
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sed -e 's/ 1 1 / C C /g' < system.psf > temp1.psf
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sed -e 's/ 2 2 / H H /g' < temp1.psf > temp2.psf
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sed -e 's/ 3 3 / P P /g' < temp2.psf > system.psf
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(If you do this, it might effect step 2 above.)